      27
INITIAL BOX 1
  O        11.6675998372        7.9643522347        0.0594536140
  H        10.8733596348        8.0054233146        0.6656678231
  H        11.3649790958        7.7704111089       -0.8737168380
  O         2.3141614416        5.0112281678        2.7847069737
  H         1.6631283704        5.6869983406        3.1303811174
  H         2.6597213284        5.3065314294        1.8939859657
  O        10.2628647425        5.5488050036       11.3607254537
  H        10.4240417486        4.6664859863       11.8029189911
  H         9.4364792048        5.4947080864       10.8002256478
  O         5.9370927857       12.7527703382        7.5548227497
  H         6.4596795525       12.7318746991        8.4071527581
  H         6.5603793440       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0096865102        3.8926357955        0.9974838762
  H         1.3851343401        3.6016767943       -0.5648884714
  O        11.6210141342        7.8994702578        6.8357086668
  H        10.7232438195        8.2903152571        7.0388062996
  H        12.1079363784        8.4964463589        6.1981148865
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1697857002        4.8602421468       12.7649950744
  H         3.8891075047        6.2532941435       13.2217311489
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.4300000000       10.5400000000        9.2400000000
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.4300000000        3.5400000000        2.2400000000
 AR         2.4300000000        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 1
  O        11.6675998372        7.9643522347        0.0594536140
  H        10.8733596348        8.0054233146        0.6656678231
  H        11.3649790958        7.7704111089       -0.8737168380
  O         2.3141614416        5.0112281678        2.7847069737
  H         1.6631283704        5.6869983406        3.1303811174
  H         2.6597213284        5.3065314294        1.8939859657
  O        10.2628647425        5.5488050036       11.3607254537
  H        10.4240417486        4.6664859863       11.8029189911
  H         9.4364792048        5.4947080864       10.8002256478
  O         5.9370927857       12.7527703382        7.5548227497
  H         6.4596795525       12.7318746991        8.4071527581
  H         6.5603793440       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0096865102        3.8926357955        0.9974838762
  H         1.3851343401        3.6016767943       -0.5648884714
  O        11.6210141342        7.9056748184        6.8465884217
  H        10.7232438195        8.3300121989        6.9646826613
  H        12.1079363784        8.3582680212        6.0995504797
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1697857002        4.8602421468       12.7649950744
  H         3.8891075047        6.2532941435       13.2217311489
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.4300000000       10.5400000000        9.2400000000
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.4300000000        3.5400000000        2.2400000000
 AR         2.4300000000        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 2
  O        11.6675998372        7.9643522347        0.0594536140
  H        10.8733596348        8.0054233146        0.6656678231
  H        11.3649790958        7.7704111089       -0.8737168380
  O         2.3141614416        5.0112281678        2.7847069737
  H         1.6631283704        5.6869983406        3.1303811174
  H         2.6597213284        5.3065314294        1.8939859657
  O        10.2628647425        5.5488050036       11.3607254537
  H        10.4240417486        4.6664859863       11.8029189911
  H         9.4364792048        5.4947080864       10.8002256478
  O         5.9370927857       12.7527703382        7.5548227497
  H         6.4596795525       12.7318746991        8.4071527581
  H         6.5603793440       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0096865102        3.8926357955        0.9974838762
  H         1.3851343401        3.6016767943       -0.5648884714
  O        11.6210141342        7.9056748184        6.8465884217
  H        10.7232438195        8.3300121989        6.9646826613
  H        12.1079363784        8.3582680212        6.0995504797
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1697857002        4.8602421468       12.7649950744
  H         3.8891075047        6.2532941435       13.2217311489
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.4300000000       10.4752827252        9.2400000000
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.4300000000        3.5400000000        2.2400000000
 AR         2.4300000000        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 3
  O        11.6675998372        7.9643522347        0.0594536140
  H        10.8733596348        8.0054233146        0.6656678231
  H        11.3649790958        7.7704111089       -0.8737168380
  O         2.3141614416        5.0112281678        2.7847069737
  H         1.6631283704        5.6869983406        3.1303811174
  H         2.6597213284        5.3065314294        1.8939859657
  O        10.2622802179        5.5487667394       11.3603289972
  H        10.4234572240        4.6664477221       11.8025225346
  H         9.4463415498        5.4953536960       10.8069148288
  O         5.9370927857       12.7527703382        7.5548227497
  H         6.4596795525       12.7318746991        8.4071527581
  H         6.5603793440       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0096865102        3.8926357955        0.9974838762
  H         1.3851343401        3.6016767943       -0.5648884714
  O        11.6210141342        7.9056748184        6.8465884217
  H        10.7232438195        8.3300121989        6.9646826613
  H        12.1079363784        8.3582680212        6.0995504797
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1697857002        4.8602421468       12.7649950744
  H         3.8891075047        6.2532941435       13.2217311489
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.4300000000       10.4752827252        9.2400000000
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.4300000000        3.5400000000        2.2400000000
 AR         2.4300000000        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 4
  O        11.6675998372        7.9643522347        0.0594536140
  H        10.8733596348        8.0054233146        0.6656678231
  H        11.3649790958        7.7704111089       -0.8737168380
  O         2.3141614416        5.0112281678        2.7847069737
  H         1.6631283704        5.6869983406        3.1303811174
  H         2.6597213284        5.3065314294        1.8939859657
  O        10.2622802179        5.5487667394       11.3603289972
  H        10.4234572240        4.6664477221       11.8025225346
  H         9.4463415498        5.4953536960       10.8069148288
  O         5.9370927857       12.7527703382        7.5548227497
  H         6.4596795525       12.7318746991        8.4071527581
  H         6.5603793440       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0096865102        3.8926357955        0.9974838762
  H         1.3851343401        3.6016767943       -0.5648884714
  O        11.6210141342        7.9056748184        6.8465884217
  H        10.7232438195        8.3300121989        6.9646826613
  H        12.1079363784        8.3582680212        6.0995504797
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1697857002        4.8602421468       12.7649950744
  H         3.8891075047        6.2532941435       13.2217311489
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.4300000000       10.4752827252        9.2400000000
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.4300000000        3.5400000000        2.2400000000
 AR         2.4300000000        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 5
  O        11.6675998372        7.9643522347        0.0594536140
  H        10.8733596348        8.0054233146        0.6656678231
  H        11.3649790958        7.7704111089       -0.8737168380
  O         2.3139972420        5.0113986064        2.7847941575
  H         1.6658988147        5.6841226286        3.1289101154
  H         2.6595571288        5.3067018681        1.8940731495
  O        10.2622802179        5.5487667394       11.3603289972
  H        10.4234572240        4.6664477221       11.8025225346
  H         9.4463415498        5.4953536960       10.8069148288
  O         5.9370927857       12.7527703382        7.5548227497
  H         6.4596795525       12.7318746991        8.4071527581
  H         6.5603793440       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0096865102        3.8926357955        0.9974838762
  H         1.3851343401        3.6016767943       -0.5648884714
  O        11.6210141342        7.9056748184        6.8465884217
  H        10.7232438195        8.3300121989        6.9646826613
  H        12.1079363784        8.3582680212        6.0995504797
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1697857002        4.8602421468       12.7649950744
  H         3.8891075047        6.2532941435       13.2217311489
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.4300000000       10.4752827252        9.2400000000
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.4300000000        3.5400000000        2.2400000000
 AR         2.4300000000        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 6
  O        11.6675998372        7.9643522347        0.0594536140
  H        10.8733596348        8.0054233146        0.6656678231
  H        11.3649790958        7.7704111089       -0.8737168380
  O         2.3139972420        5.0113986064        2.7847941575
  H         1.6658988147        5.6841226286        3.1289101154
  H         2.6595571288        5.3067018681        1.8940731495
  O        10.2622802179        5.5487667394       11.3603289972
  H        10.4234572240        4.6664477221       11.8025225346
  H         9.4463415498        5.4953536960       10.8069148288
  O         5.9370927857       12.7527703382        7.5548227497
  H         6.4596795525       12.7318746991        8.4071527581
  H         6.5603793440       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0096865102        3.8926357955        0.9974838762
  H         1.3851343401        3.6016767943       -0.5648884714
  O        11.6210141342        7.9056748184        6.8465884217
  H        10.7232438195        8.3300121989        6.9646826613
  H        12.1079363784        8.3582680212        6.0995504797
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1697857002        4.8602421468       12.7649950744
  H         3.8891075047        6.2532941435       13.2217311489
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.4300000000       10.4752827252        9.2400000000
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.4300000000        3.5400000000        2.2400000000
 AR         2.4300000000        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 7
  O        11.6675998372        7.9643522347        0.0594536140
  H        10.8733596348        8.0054233146        0.6656678231
  H        11.3649790958        7.7704111089       -0.8737168380
  O         2.3139972420        5.0113986064        2.7847941575
  H         1.6658988147        5.6841226286        3.1289101154
  H         2.6595571288        5.3067018681        1.8940731495
  O        10.2622802179        5.5487667394       11.3603289972
  H        10.4234572240        4.6664477221       11.8025225346
  H         9.4463415498        5.4953536960       10.8069148288
  O         5.9370927857       12.7527703382        7.5548227497
  H         6.4596795525       12.7318746991        8.4071527581
  H         6.5603793440       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0096865102        3.8926357955        0.9974838762
  H         1.3851343401        3.6016767943       -0.5648884714
  O        11.6210141342        7.9056748184        6.8465884217
  H        10.7232438195        8.3300121989        6.9646826613
  H        12.1079363784        8.3582680212        6.0995504797
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1697857002        4.8602421468       12.7649950744
  H         3.8891075047        6.2532941435       13.2217311489
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.4752827252        9.2400000000
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.4300000000        3.5400000000        2.2400000000
 AR         2.4300000000        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 8
  O        11.6675998372        7.9643522347        0.0594536140
  H        10.8733596348        8.0054233146        0.6656678231
  H        11.3649790958        7.7704111089       -0.8737168380
  O         2.3139972420        5.0113986064        2.7847941575
  H         1.6658988147        5.6841226286        3.1289101154
  H         2.6595571288        5.3067018681        1.8940731495
  O        10.2622802179        5.5487667394       11.3603289972
  H        10.4234572240        4.6664477221       11.8025225346
  H         9.4463415498        5.4953536960       10.8069148288
  O         5.9370927857       12.7527703382        7.5548227497
  H         6.4596795525       12.7318746991        8.4071527581
  H         6.5603793440       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0096865102        3.8926357955        0.9974838762
  H         1.3851343401        3.6016767943       -0.5648884714
  O        11.6210141342        7.9056748184        6.8465884217
  H        10.7232438195        8.3300121989        6.9646826613
  H        12.1079363784        8.3582680212        6.0995504797
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1697857002        4.8602421468       12.7649950744
  H         3.8891075047        6.2532941435       13.2217311489
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.4752827252        9.2400000000
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.4300000000        3.5400000000        2.2400000000
 AR         2.4300000000        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 9
  O        11.6675998372        7.9643522347        0.0594536140
  H        10.8737723087        8.0055543552        0.6661992281
  H        11.3656299460        7.7704282923       -0.8739312237
  O         2.3139972420        5.0113986064        2.7847941575
  H         1.6658988147        5.6841226286        3.1289101154
  H         2.6595571288        5.3067018681        1.8940731495
  O        10.2622802179        5.5487667394       11.3603289972
  H        10.4234572240        4.6664477221       11.8025225346
  H         9.4463415498        5.4953536960       10.8069148288
  O         5.9370927857       12.7527703382        7.5548227497
  H         6.4596795525       12.7318746991        8.4071527581
  H         6.5603793440       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0096865102        3.8926357955        0.9974838762
  H         1.3851343401        3.6016767943       -0.5648884714
  O        11.6210141342        7.9056748184        6.8465884217
  H        10.7232438195        8.3300121989        6.9646826613
  H        12.1079363784        8.3582680212        6.0995504797
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1697857002        4.8602421468       12.7649950744
  H         3.8891075047        6.2532941435       13.2217311489
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.4752827252        9.2400000000
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.4300000000        3.5400000000        2.2400000000
 AR         2.4300000000        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 10
  O        11.6675998372        7.9643522347        0.0594536140
  H        10.8737723087        8.0055543552        0.6661992281
  H        11.3656299460        7.7704282923       -0.8739312237
  O         2.3139972420        5.0113986064        2.7847941575
  H         1.6658988147        5.6841226286        3.1289101154
  H         2.6595571288        5.3067018681        1.8940731495
  O        10.2622802179        5.5487667394       11.3603289972
  H        10.4234572240        4.6664477221       11.8025225346
  H         9.4463415498        5.4953536960       10.8069148288
  O         5.9370927857       12.7527703382        7.5548227497
  H         6.4596795525       12.7318746991        8.4071527581
  H         6.5603793440       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0096865102        3.8926357955        0.9974838762
  H         1.3851343401        3.6016767943       -0.5648884714
  O        11.6210141342        7.9056748184        6.8465884217
  H        10.7232438195        8.3300121989        6.9646826613
  H        12.1079363784        8.3582680212        6.0995504797
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1697857002        4.8602421468       12.7649950744
  H         3.8891075047        6.2532941435       13.2217311489
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.4752827252        9.2400000000
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.4300000000        3.5400000000        2.2400000000
 AR         2.4300000000        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 11
  O        11.6675998372        7.9643522347        0.0594536140
  H        10.8737723087        8.0055543552        0.6661992281
  H        11.3656299460        7.7704282923       -0.8739312237
  O         2.3139972420        5.0113986064        2.7847941575
  H         1.6658988147        5.6841226286        3.1289101154
  H         2.6595571288        5.3067018681        1.8940731495
  O        10.2622802179        5.5487667394       11.3603289972
  H        10.4234572240        4.6664477221       11.8025225346
  H         9.4463415498        5.4953536960       10.8069148288
  O         5.9370927857       12.7527703382        7.5548227497
  H         6.4596795525       12.7318746991        8.4071527581
  H         6.5603793440       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0096865102        3.8926357955        0.9974838762
  H         1.3851343401        3.6016767943       -0.5648884714
  O        11.6210141342        7.9056748184        6.8465884217
  H        10.7232438195        8.3300121989        6.9646826613
  H        12.1079363784        8.3582680212        6.0995504797
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1697857002        4.8602421468       12.7649950744
  H         3.8891075047        6.2532941435       13.2217311489
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.4752827252        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.4300000000        3.5400000000        2.2400000000
 AR         2.4300000000        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 12
  O        11.6675998372        7.9643522347        0.0594536140
  H        10.8737723087        8.0055543552        0.6661992281
  H        11.3656299460        7.7704282923       -0.8739312237
  O         2.3139972420        5.0113986064        2.7847941575
  H         1.6658988147        5.6841226286        3.1289101154
  H         2.6595571288        5.3067018681        1.8940731495
  O        10.2622802179        5.5487667394       11.3603289972
  H        10.4234572240        4.6664477221       11.8025225346
  H         9.4463415498        5.4953536960       10.8069148288
  O         5.9370927857       12.7527703382        7.5548227497
  H         6.4596795525       12.7318746991        8.4071527581
  H         6.5603793440       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0096865102        3.8926357955        0.9974838762
  H         1.3851343401        3.6016767943       -0.5648884714
  O        11.6210141342        7.9056748184        6.8465884217
  H        10.7232438195        8.3300121989        6.9646826613
  H        12.1079363784        8.3582680212        6.0995504797
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1697857002        4.8602421468       12.7649950744
  H         3.8891075047        6.2532941435       13.2217311489
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.4752827252        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.4300000000        3.5400000000        2.2400000000
 AR         2.4300000000        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 13
  O        11.6675998372        7.9643522347        0.0594536140
  H        10.8737723087        8.0055543552        0.6661992281
  H        11.3656299460        7.7704282923       -0.8739312237
  O         2.3139972420        5.0113986064        2.7847941575
  H         1.6658988147        5.6841226286        3.1289101154
  H         2.6595571288        5.3067018681        1.8940731495
  O        10.2622802179        5.5487667394       11.3603289972
  H        10.4234572240        4.6664477221       11.8025225346
  H         9.4463415498        5.4953536960       10.8069148288
  O         5.9370927857       12.7527703382        7.5548227497
  H         6.4596795525       12.7318746991        8.4071527581
  H         6.5603793440       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0096865102        3.8926357955        0.9974838762
  H         1.3851343401        3.6016767943       -0.5648884714
  O        11.6210141342        7.9056748184        6.8465884217
  H        10.7232438195        8.3300121989        6.9646826613
  H        12.1079363784        8.3582680212        6.0995504797
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1697857002        4.8602421468       12.7649950744
  H         3.8891075047        6.2532941435       13.2217311489
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.4752827252        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.4300000000        3.5400000000        2.2400000000
 AR         2.4300000000        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 14
  O        11.6675998372        7.9643522347        0.0594536140
  H        10.8737723087        8.0055543552        0.6661992281
  H        11.3656299460        7.7704282923       -0.8739312237
  O         2.3139972420        5.0113986064        2.7847941575
  H         1.6658988147        5.6841226286        3.1289101154
  H         2.6595571288        5.3067018681        1.8940731495
  O        10.2622802179        5.0990024972       11.3603289972
  H        10.4234572240        4.2166834800       11.8025225346
  H         9.4463415498        5.0455894538       10.8069148288
  O         5.9370927857       12.7527703382        7.5548227497
  H         6.4596795525       12.7318746991        8.4071527581
  H         6.5603793440       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0096865102        3.8926357955        0.9974838762
  H         1.3851343401        3.6016767943       -0.5648884714
  O        11.6210141342        7.9056748184        6.8465884217
  H        10.7232438195        8.3300121989        6.9646826613
  H        12.1079363784        8.3582680212        6.0995504797
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1697857002        4.8602421468       12.7649950744
  H         3.8891075047        6.2532941435       13.2217311489
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.4752827252        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.4300000000        3.5400000000        2.2400000000
 AR         2.4300000000        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 15
  O        11.6675998372        7.9643522347        0.0594536140
  H        10.8737723087        8.0055543552        0.6661992281
  H        11.3656299460        7.7704282923       -0.8739312237
  O         2.3139972420        5.0113986064        2.7847941575
  H         1.6658988147        5.6841226286        3.1289101154
  H         2.6595571288        5.3067018681        1.8940731495
  O        10.2622802179        5.0990024972       11.3603289972
  H        10.4234572240        4.2166834800       11.8025225346
  H         9.4463415498        5.0455894538       10.8069148288
  O         5.9370927857       12.7527703382        7.5548227497
  H         6.4596795525       12.7318746991        8.4071527581
  H         6.5603793440       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0096865102        3.8926357955        0.9974838762
  H         1.3851343401        3.6016767943       -0.5648884714
  O        11.6179978186        7.9071005009        6.8469851930
  H        10.7741363649        8.3059574835        6.9579881690
  H        12.1049200628        8.3596937037        6.0999472510
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1697857002        4.8602421468       12.7649950744
  H         3.8891075047        6.2532941435       13.2217311489
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.4752827252        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.4300000000        3.5400000000        2.2400000000
 AR         2.4300000000        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 16
  O        11.6675998372        7.9643522347        0.0594536140
  H        10.8737723087        8.0055543552        0.6661992281
  H        11.3656299460        7.7704282923       -0.8739312237
  O         2.3139972420        5.0113986064        2.7847941575
  H         1.6658988147        5.6841226286        3.1289101154
  H         2.6595571288        5.3067018681        1.8940731495
  O        10.2622802179        5.0990024972       11.3603289972
  H        10.4234572240        4.2166834800       11.8025225346
  H         9.4463415498        5.0455894538       10.8069148288
  O         5.9370927857       12.7527703382        7.5548227497
  H         6.4596795525       12.7318746991        8.4071527581
  H         6.5603793440       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6179978186        7.9071005009        6.8469851930
  H        10.7741363649        8.3059574835        6.9579881690
  H        12.1049200628        8.3596937037        6.0999472510
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1697857002        4.8602421468       12.7649950744
  H         3.8891075047        6.2532941435       13.2217311489
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.4752827252        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.4300000000        3.5400000000        2.2400000000
 AR         2.4300000000        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 17
  O        11.6675998372        7.9643522347        0.0594536140
  H        10.8737723087        8.0055543552        0.6661992281
  H        11.3656299460        7.7704282923       -0.8739312237
  O         2.3139972420        5.0113986064        2.7847941575
  H         1.6658988147        5.6841226286        3.1289101154
  H         2.6595571288        5.3067018681        1.8940731495
  O        10.2622802179        5.0990024972       11.3603289972
  H        10.4234572240        4.2166834800       11.8025225346
  H         9.4463415498        5.0455894538       10.8069148288
  O         5.9370927857       12.7527703382        7.5548227497
  H         6.4596795525       12.7318746991        8.4071527581
  H         6.5603793440       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6179978186        7.9071005009        6.8469851930
  H        10.7741363649        8.3059574835        6.9579881690
  H        12.1049200628        8.3596937037        6.0999472510
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1697857002        4.8602421468       12.7649950744
  H         3.8891075047        6.2532941435       13.2217311489
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.4752827252        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.4300000000        3.5400000000        2.2400000000
 AR         2.4300000000        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 18
  O        11.6675998372        7.9643522347        0.0594536140
  H        10.8737723087        8.0055543552        0.6661992281
  H        11.3656299460        7.7704282923       -0.8739312237
  O         2.3139972420        5.0113986064        2.7847941575
  H         1.6658988147        5.6841226286        3.1289101154
  H         2.6595571288        5.3067018681        1.8940731495
  O        10.2622802179        5.0990024972       11.3603289972
  H        10.4234572240        4.2166834800       11.8025225346
  H         9.4463415498        5.0455894538       10.8069148288
  O         5.9370927857       12.7527703382        7.5548227497
  H         6.4596795525       12.7318746991        8.4071527581
  H         6.5603793440       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6179978186        7.9071005009        6.8469851930
  H        10.7741363649        8.3059574835        6.9579881690
  H        12.1049200628        8.3596937037        6.0999472510
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1697857002        4.8602421468       12.7649950744
  H         3.8891075047        6.2532941435       13.2217311489
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.5228366754        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.4300000000        3.5400000000        2.2400000000
 AR         2.4300000000        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 19
  O        11.6675998372        7.9643522347        0.0594536140
  H        10.8737723087        8.0055543552        0.6661992281
  H        11.3656299460        7.7704282923       -0.8739312237
  O         2.3139972420        5.0113986064        2.7847941575
  H         1.6658988147        5.6841226286        3.1289101154
  H         2.6595571288        5.3067018681        1.8940731495
  O        10.2622802179        5.0990024972       11.3603289972
  H        10.4234572240        4.2166834800       11.8025225346
  H         9.4463415498        5.0455894538       10.8069148288
  O         5.9370927857       12.7527703382        7.5548227497
  H         6.4596795525       12.7318746991        8.4071527581
  H         6.5603793440       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6179978186        7.9071005009        6.8469851930
  H        10.7741363649        8.3059574835        6.9579881690
  H        12.1049200628        8.3596937037        6.0999472510
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1697857002        4.8602421468       12.7649950744
  H         3.8891075047        6.2532941435       13.2217311489
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.5228366754        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.4300000000        3.5400000000        2.2400000000
 AR         2.4300000000        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 20
  O        11.6675998372        7.9643522347        0.0594536140
  H        10.8737723087        8.0055543552        0.6661992281
  H        11.3656299460        7.7704282923       -0.8739312237
  O         2.3139972420        5.0113986064        2.7847941575
  H         1.6658988147        5.6841226286        3.1289101154
  H         2.6595571288        5.3067018681        1.8940731495
  O        10.2622802179        5.0990024972       11.3603289972
  H        10.4234572240        4.2166834800       11.8025225346
  H         9.4463415498        5.0455894538       10.8069148288
  O         5.9370927857       12.7527703382        7.5548227497
  H         6.4596795525       12.7318746991        8.4071527581
  H         6.5603793440       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6179978186        7.9071005009        6.8469851930
  H        10.7741363649        8.3059574835        6.9579881690
  H        12.1049200628        8.3596937037        6.0999472510
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1697857002        4.8602421468       12.7649950744
  H         3.8891075047        6.2532941435       13.2217311489
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.5228366754        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.2400000000
 AR         2.4300000000        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 21
  O        11.6675998372        7.9643522347        0.0594536140
  H        10.8737723087        8.0055543552        0.6661992281
  H        11.3656299460        7.7704282923       -0.8739312237
  O         2.3139972420        5.0113986064        2.7847941575
  H         1.6658988147        5.6841226286        3.1289101154
  H         2.6595571288        5.3067018681        1.8940731495
  O        10.2622802179        5.0990024972       11.3603289972
  H        10.4234572240        4.2166834800       11.8025225346
  H         9.4463415498        5.0455894538       10.8069148288
  O         5.9370927857       12.7527703382        7.5548227497
  H         6.4596795525       12.7318746991        8.4071527581
  H         6.5603793440       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6179978186        7.9071005009        6.8469851930
  H        10.7741363649        8.3059574835        6.9579881690
  H        12.1049200628        8.3596937037        6.0999472510
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.5228366754        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.2400000000
 AR         2.4300000000        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 22
  O        11.6675998372        7.9643522347        0.0594536140
  H        10.8737723087        8.0055543552        0.6661992281
  H        11.3656299460        7.7704282923       -0.8739312237
  O         2.3139972420        5.0113986064        2.7847941575
  H         1.6658988147        5.6841226286        3.1289101154
  H         2.6595571288        5.3067018681        1.8940731495
  O        10.2622802179        5.0990024972       11.3603289972
  H        10.4234572240        4.2166834800       11.8025225346
  H         9.4463415498        5.0455894538       10.8069148288
  O         5.5395954303       12.7527703382        7.5548227497
  H         6.0621821972       12.7318746991        8.4071527581
  H         6.1628819887       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6179978186        7.9071005009        6.8469851930
  H        10.7741363649        8.3059574835        6.9579881690
  H        12.1049200628        8.3596937037        6.0999472510
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.5228366754        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.2400000000
 AR         2.4300000000        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 23
  O        11.6675998372        7.9643522347        0.0594536140
  H        10.8737723087        8.0055543552        0.6661992281
  H        11.3656299460        7.7704282923       -0.8739312237
  O         2.3139972420        5.0113986064        2.7847941575
  H         1.6658988147        5.6841226286        3.1289101154
  H         2.6595571288        5.3067018681        1.8940731495
  O        10.2622802179        5.0990024972       11.3603289972
  H        10.4234572240        4.2166834800       11.8025225346
  H         9.4463415498        5.0455894538       10.8069148288
  O         5.5395954303       12.7527703382        7.5548227497
  H         6.0621821972       12.7318746991        8.4071527581
  H         6.1628819887       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6179978186        7.9071005009        6.8469851930
  H        10.7741363649        8.3059574835        6.9579881690
  H        12.1049200628        8.3596937037        6.0999472510
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.5228366754        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.2400000000
 AR         2.4300000000        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 24
  O        11.6675998372        7.4408173472        0.0594536140
  H        10.8737723087        7.4820194677        0.6661992281
  H        11.3656299460        7.2468934048       -0.8739312237
  O         2.3139972420        5.0113986064        2.7847941575
  H         1.6658988147        5.6841226286        3.1289101154
  H         2.6595571288        5.3067018681        1.8940731495
  O        10.2622802179        5.0990024972       11.3603289972
  H        10.4234572240        4.2166834800       11.8025225346
  H         9.4463415498        5.0455894538       10.8069148288
  O         5.5395954303       12.7527703382        7.5548227497
  H         6.0621821972       12.7318746991        8.4071527581
  H         6.1628819887       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6179978186        7.9071005009        6.8469851930
  H        10.7741363649        8.3059574835        6.9579881690
  H        12.1049200628        8.3596937037        6.0999472510
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.5228366754        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.2400000000
 AR         2.4300000000        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 25
  O        11.6675998372        7.4408173472        0.0594536140
  H        10.8737723087        7.4820194677        0.6661992281
  H        11.3656299460        7.2468934048       -0.8739312237
  O         2.3139972420        5.0094800696        2.7811149906
  H         1.6658988147        5.6577647032        3.1693165315
  H         2.6595571288        5.3635116168        1.9120640174
  O        10.2622802179        5.0990024972       11.3603289972
  H        10.4234572240        4.2166834800       11.8025225346
  H         9.4463415498        5.0455894538       10.8069148288
  O         5.5395954303       12.7527703382        7.5548227497
  H         6.0621821972       12.7318746991        8.4071527581
  H         6.1628819887       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6179978186        7.9071005009        6.8469851930
  H        10.7741363649        8.3059574835        6.9579881690
  H        12.1049200628        8.3596937037        6.0999472510
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.5228366754        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.2400000000
 AR         2.4300000000        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 26
  O        11.6675998372        7.4408173472        0.0594536140
  H        10.8737723087        7.4820194677        0.6661992281
  H        11.3656299460        7.2468934048       -0.8739312237
  O         2.3139972420        5.0094800696        2.7811149906
  H         1.6658988147        5.6577647032        3.1693165315
  H         2.6595571288        5.3635116168        1.9120640174
  O        10.2622802179        5.0990024972       11.3603289972
  H        10.4234572240        4.2166834800       11.8025225346
  H         9.4463415498        5.0455894538       10.8069148288
  O         5.5395954303       12.7527703382        7.5548227497
  H         6.0621821972       12.7318746991        8.4071527581
  H         6.1628819887       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6179978186        7.9071005009        6.8469851930
  H        10.7741363649        8.3059574835        6.9579881690
  H        12.1049200628        8.3596937037        6.0999472510
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.5228366754        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.2400000000
 AR         2.4300000000        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 27
  O        11.6675998372        7.4408173472        0.0594536140
  H        10.8737723087        7.4820194677        0.6661992281
  H        11.3656299460        7.2468934048       -0.8739312237
  O         2.3139972420        5.0094800696        2.7811149906
  H         1.6658988147        5.6577647032        3.1693165315
  H         2.6595571288        5.3635116168        1.9120640174
  O        10.2622802179        5.0990024972       11.3603289972
  H        10.4234572240        4.2166834800       11.8025225346
  H         9.4463415498        5.0455894538       10.8069148288
  O         5.5395954303       12.7527703382        7.5548227497
  H         6.0621821972       12.7318746991        8.4071527581
  H         6.1628819887       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6179978186        7.9071005009        6.8469851930
  H        10.7741363649        8.3059574835        6.9579881690
  H        12.1049200628        8.3596937037        6.0999472510
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.5228366754        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.2400000000
 AR         2.8544048768        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 28
  O        11.6675998372        7.4408173472        0.0594536140
  H        10.8737723087        7.4820194677        0.6661992281
  H        11.3656299460        7.2468934048       -0.8739312237
  O         2.3139972420        5.0094800696        2.7811149906
  H         1.6658988147        5.6577647032        3.1693165315
  H         2.6595571288        5.3635116168        1.9120640174
  O        10.2622802179        5.0990024972       11.3603289972
  H        10.4234572240        4.2166834800       11.8025225346
  H         9.4463415498        5.0455894538       10.8069148288
  O         5.5395954303       12.7527703382        7.5548227497
  H         6.0621821972       12.7318746991        8.4071527581
  H         6.1628819887       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6179978186        7.9071005009        6.8469851930
  H        10.7741363649        8.3059574835        6.9579881690
  H        12.1049200628        8.3596937037        6.0999472510
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.2400000000
 AR         2.8544048768        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 29
  O        11.6675998372        7.4408173472        0.0594536140
  H        10.8737723087        7.4820194677        0.6661992281
  H        11.3656299460        7.2468934048       -0.8739312237
  O         2.3139972420        5.0094800696        2.7811149906
  H         1.6658988147        5.6577647032        3.1693165315
  H         2.6595571288        5.3635116168        1.9120640174
  O        10.2622802179        5.0990024972       11.3603289972
  H        10.4234572240        4.2166834800       11.8025225346
  H         9.4463415498        5.0455894538       10.8069148288
  O         5.5395954303       12.7527703382        7.5548227497
  H         6.0621821972       12.7318746991        8.4071527581
  H         6.1628819887       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6010174649        7.9071005009        6.8520963933
  H        10.7897441950        8.3059574835        6.5946871952
  H        12.3588315490        8.3596937037        6.3821211038
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.2400000000
 AR         2.8544048768        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 30
  O        11.6675998372        7.4408173472        0.0594536140
  H        10.8737723087        7.4820194677        0.6661992281
  H        11.3656299460        7.2468934048       -0.8739312237
  O         2.3139972420        5.0094800696        2.7811149906
  H         1.6658988147        5.6577647032        3.1693165315
  H         2.6595571288        5.3635116168        1.9120640174
  O        10.2622802179        5.0990024972       11.3603289972
  H        10.4234572240        4.2166834800       11.8025225346
  H         9.4463415498        5.0455894538       10.8069148288
  O         5.5395954303       12.7527703382        7.5548227497
  H         6.0621821972       12.7318746991        8.4071527581
  H         6.1628819887       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6010174649        7.9071005009        6.8520963933
  H        10.7897441950        8.3059574835        6.5946871952
  H        12.3588315490        8.3596937037        6.3821211038
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 31
  O        11.6675998372        7.4408173472        0.0594536140
  H        10.8341966980        7.4687639578        0.6114121219
  H        11.3009822968        7.2456232633       -0.8502113872
  O         2.3139972420        5.0094800696        2.7811149906
  H         1.6658988147        5.6577647032        3.1693165315
  H         2.6595571288        5.3635116168        1.9120640174
  O        10.2622802179        5.0990024972       11.3603289972
  H        10.4234572240        4.2166834800       11.8025225346
  H         9.4463415498        5.0455894538       10.8069148288
  O         5.5395954303       12.7527703382        7.5548227497
  H         6.0621821972       12.7318746991        8.4071527581
  H         6.1628819887       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6010174649        7.9071005009        6.8520963933
  H        10.7897441950        8.3059574835        6.5946871952
  H        12.3588315490        8.3596937037        6.3821211038
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 32
  O        11.6675998372        7.4408173472        0.0594536140
  H        10.8341966980        7.4687639578        0.6114121219
  H        11.3009822968        7.2456232633       -0.8502113872
  O         2.3139972420        5.0094800696        2.7811149906
  H         1.6658988147        5.6577647032        3.1693165315
  H         2.6595571288        5.3635116168        1.9120640174
  O        10.2622802179        5.0990024972       11.3603289972
  H        10.4234572240        4.2166834800       11.8025225346
  H         9.4463415498        5.0455894538       10.8069148288
  O         5.5395954303       12.7527703382        7.5548227497
  H         6.0621821972       12.7318746991        8.4071527581
  H         6.1628819887       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6010174649        7.9071005009        6.8520963933
  H        10.7897441950        8.3059574835        6.5946871952
  H        12.3588315490        8.3596937037        6.3821211038
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 33
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.7811149906
  H         1.6658988147        5.6577647032        3.1693165315
  H         2.6595571288        5.3635116168        1.9120640174
  O        10.2622802179        5.0990024972       11.3603289972
  H        10.4234572240        4.2166834800       11.8025225346
  H         9.4463415498        5.0455894538       10.8069148288
  O         5.5395954303       12.7527703382        7.5548227497
  H         6.0621821972       12.7318746991        8.4071527581
  H         6.1628819887       12.8900483107        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6010174649        7.9071005009        6.8520963933
  H        10.7897441950        8.3059574835        6.5946871952
  H        12.3588315490        8.3596937037        6.3821211038
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 34
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.7811149906
  H         1.6658988147        5.6577647032        3.1693165315
  H         2.6595571288        5.3635116168        1.9120640174
  O        10.2622802179        5.0990024972       11.3603289972
  H        10.4234572240        4.2166834800       11.8025225346
  H         9.4463415498        5.0455894538       10.8069148288
  O         5.5392865846       12.7609271569        7.5548227497
  H         6.0550398873       12.6741395578        8.4071527581
  H         6.1749264288       12.8183149946        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6010174649        7.9071005009        6.8520963933
  H        10.7897441950        8.3059574835        6.5946871952
  H        12.3588315490        8.3596937037        6.3821211038
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 35
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2622802179        5.0990024972       11.3603289972
  H        10.4234572240        4.2166834800       11.8025225346
  H         9.4463415498        5.0455894538       10.8069148288
  O         5.5392865846       12.7609271569        7.5548227497
  H         6.0550398873       12.6741395578        8.4071527581
  H         6.1749264288       12.8183149946        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6010174649        7.9071005009        6.8520963933
  H        10.7897441950        8.3059574835        6.5946871952
  H        12.3588315490        8.3596937037        6.3821211038
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 36
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2627317807        5.0990024972       11.3564374718
  H        10.4695669296        4.2166834800       11.7792049883
  H         9.3930644488        5.0455894538       10.8920003031
  O         5.5392865846       12.7609271569        7.5548227497
  H         6.0550398873       12.6741395578        8.4071527581
  H         6.1749264288       12.8183149946        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6010174649        7.9071005009        6.8520963933
  H        10.7897441950        8.3059574835        6.5946871952
  H        12.3588315490        8.3596937037        6.3821211038
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 37
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2627317807        5.0990024972       11.3564374718
  H        10.4695669296        4.2166834800       11.7792049883
  H         9.3930644488        5.0455894538       10.8920003031
  O         5.5392865846       12.7609271569        7.5548227497
  H         6.0550398873       12.6741395578        8.4071527581
  H         6.1749264288       12.8183149946        6.7849732901
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6010174649        7.9071005009        6.8520963933
  H        10.7897441950        8.3059574835        6.5946871952
  H        12.3588315490        8.3596937037        6.3821211038
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 38
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2627317807        5.0990024972       11.3564374718
  H        10.4695669296        4.2166834800       11.7792049883
  H         9.3930644488        5.0455894538       10.8920003031
  O         5.5392865846       12.7609271569        7.8166170490
  H         6.0550398873       12.6741395578        8.6689470575
  H         6.1749264288       12.8183149946        7.0467675895
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6010174649        7.9071005009        6.8520963933
  H        10.7897441950        8.3059574835        6.5946871952
  H        12.3588315490        8.3596937037        6.3821211038
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 39
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2627317807        5.0990024972       11.3564374718
  H        10.4695669296        4.2166834800       11.7792049883
  H         9.3930644488        5.0455894538       10.8920003031
  O         5.5393683345       12.7609271569        7.8268733168
  H         6.1835415869       12.6741395578        8.5868132707
  H         6.0451271602       12.8183149946        6.9661095792
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6010174649        7.9071005009        6.8520963933
  H        10.7897441950        8.3059574835        6.5946871952
  H        12.3588315490        8.3596937037        6.3821211038
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 40
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2627317807        5.0990024972       11.3564374718
  H        10.4695669296        4.2166834800       11.7792049883
  H         9.3930644488        5.0455894538       10.8920003031
  O         5.5393683345       12.7609271569        7.8268733168
  H         6.1835415869       12.6741395578        8.5868132707
  H         6.0451271602       12.8183149946        6.9661095792
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6010174649        7.9071005009        6.8520963933
  H        10.7897441950        8.3059574835        6.5946871952
  H        12.3588315490        8.3596937037        6.3821211038
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 41
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2627317807        5.0990024972       11.3564374718
  H        10.4695669296        4.2166834800       11.7792049883
  H         9.3930644488        5.0455894538       10.8920003031
  O         5.5392179116       12.7609271569        7.8247597508
  H         6.1581168210       12.6741395578        8.6054210427
  H         6.0729395005       12.8183149946        6.9810492154
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6010174649        7.9071005009        6.8520963933
  H        10.7897441950        8.3059574835        6.5946871952
  H        12.3588315490        8.3596937037        6.3821211038
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 42
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2627317807        5.0978264642       11.3653841799
  H        10.4695669296        4.1560639452       11.6305305151
  H         9.3930644488        5.1248754791       10.8986688623
  O         5.5392179116       12.7609271569        7.8247597508
  H         6.1581168210       12.6741395578        8.6054210427
  H         6.0729395005       12.8183149946        6.9810492154
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6010174649        7.9071005009        6.8520963933
  H        10.7897441950        8.3059574835        6.5946871952
  H        12.3588315490        8.3596937037        6.3821211038
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 43
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2627317807        5.0978264642       11.3653841799
  H        10.4695669296        4.1560639452       11.6305305151
  H         9.3930644488        5.1248754791       10.8986688623
  O         5.5392179116       12.7609271569        7.8247597508
  H         6.1581168210       12.6741395578        8.6054210427
  H         6.0729395005       12.8183149946        6.9810492154
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6010174649        7.9071005009        6.8520963933
  H        10.7897441950        8.3059574835        6.5946871952
  H        12.3588315490        8.3596937037        6.3821211038
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 44
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2627317807        5.0978264642       11.3653841799
  H        10.4695669296        4.1560639452       11.6305305151
  H         9.3930644488        5.1248754791       10.8986688623
  O         5.5392179116       12.7609271569        7.6031900331
  H         6.1581168210       12.6741395578        8.3838513250
  H         6.0729395005       12.8183149946        6.7594794977
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6010174649        7.9071005009        6.8520963933
  H        10.7897441950        8.3059574835        6.5946871952
  H        12.3588315490        8.3596937037        6.3821211038
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 45
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2627317807        5.0978264642       11.3653841799
  H        10.4695669296        4.1560639452       11.6305305151
  H         9.3930644488        5.1248754791       10.8986688623
  O         5.5392179116       12.7609271569        7.6031900331
  H         6.1581168210       12.6741395578        8.3838513250
  H         6.0729395005       12.8183149946        6.7594794977
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6010174649        7.9071005009        6.8520963933
  H        10.7897441950        8.3059574835        6.5946871952
  H        12.3588315490        8.3596937037        6.3821211038
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 46
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2627317807        5.0978264642       11.3653841799
  H        10.4695669296        4.1560639452       11.6305305151
  H         9.3930644488        5.1248754791       10.8986688623
  O         5.5392179116       12.7609271569        7.6031900331
  H         6.1581168210       12.6741395578        8.3838513250
  H         6.0729395005       12.8183149946        6.7594794977
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6010174649        7.9071005009        6.8520963933
  H        10.7897441950        8.3059574835        6.5946871952
  H        12.3588315490        8.3596937037        6.3821211038
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 47
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2627317807        5.0974619641       11.3669268708
  H        10.4695669296        4.1481113723       11.6034700486
  H         9.3930644488        5.1386135507       10.9012430899
  O         5.5392179116       12.7609271569        7.6031900331
  H         6.1581168210       12.6741395578        8.3838513250
  H         6.0729395005       12.8183149946        6.7594794977
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6010174649        7.9071005009        6.8520963933
  H        10.7897441950        8.3059574835        6.5946871952
  H        12.3588315490        8.3596937037        6.3821211038
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 48
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2627317807        5.0974619641       11.3669268708
  H        10.4695669296        4.1481113723       11.6034700486
  H         9.3930644488        5.1386135507       10.9012430899
  O         5.5392179116       12.7609271569        7.6031900331
  H         6.1581168210       12.6741395578        8.3838513250
  H         6.0729395005       12.8183149946        6.7594794977
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6010174649        7.9071005009        6.8520963933
  H        10.7897441950        8.3059574835        6.5946871952
  H        12.3588315490        8.3596937037        6.3821211038
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 49
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2627317807        5.0974619641       11.3669268708
  H        10.4695669296        4.1481113723       11.6034700486
  H         9.3930644488        5.1386135507       10.9012430899
  O         5.7319112621       12.7609271569        7.6031900331
  H         6.3508101715       12.6741395578        8.3838513250
  H         6.2656328509       12.8183149946        6.7594794977
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6010174649        7.9071005009        6.8520963933
  H        10.7897441950        8.3059574835        6.5946871952
  H        12.3588315490        8.3596937037        6.3821211038
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 50
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.0974619641       11.3712835755
  H        10.4378890661        4.1481113723       11.6309322936
  H         9.4534075710        5.1386135507       10.8046293959
  O         5.7319112621       12.7609271569        7.6031900331
  H         6.3508101715       12.6741395578        8.3838513250
  H         6.2656328509       12.8183149946        6.7594794977
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6010174649        7.9071005009        6.8520963933
  H        10.7897441950        8.3059574835        6.5946871952
  H        12.3588315490        8.3596937037        6.3821211038
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 51
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.0974619641       11.3712835755
  H        10.4378890661        4.1481113723       11.6309322936
  H         9.4534075710        5.1386135507       10.8046293959
  O         5.7323785113       12.7609271569        7.5911479593
  H         6.1954800195       12.6741395578        8.4731938230
  H         6.4135466276       12.8183149946        6.8612738611
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6010174649        7.9071005009        6.8520963933
  H        10.7897441950        8.3059574835        6.5946871952
  H        12.3588315490        8.3596937037        6.3821211038
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 52
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.0974619641       11.3712835755
  H        10.4378890661        4.1481113723       11.6309322936
  H         9.4534075710        5.1386135507       10.8046293959
  O         5.7323785113       12.7609271569        7.5911479593
  H         6.1954800195       12.6741395578        8.4731938230
  H         6.4135466276       12.8183149946        6.8612738611
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.6010174649        7.9071005009        6.8520963933
  H        10.7897441950        8.3059574835        6.5946871952
  H        12.3588315490        8.3596937037        6.3821211038
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 53
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.0974619641       11.3712835755
  H        10.4378890661        4.1481113723       11.6309322936
  H         9.4534075710        5.1386135507       10.8046293959
  O         5.7323785113       12.7609271569        7.5911479593
  H         6.1954800195       12.6741395578        8.4731938230
  H         6.4135466276       12.8183149946        6.8612738611
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.5950052527        7.9071005009        6.8520941846
  H        10.8303569162        8.3059574835        6.4782804138
  H        12.4136471886        8.3596937037        6.4985629421
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.2400000000
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 54
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.0974619641       11.3712835755
  H        10.4378890661        4.1481113723       11.6309322936
  H         9.4534075710        5.1386135507       10.8046293959
  O         5.7323785113       12.7609271569        7.5911479593
  H         6.1954800195       12.6741395578        8.4731938230
  H         6.4135466276       12.8183149946        6.8612738611
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.5950052527        7.9071005009        6.8520941846
  H        10.8303569162        8.3059574835        6.4782804138
  H        12.4136471886        8.3596937037        6.4985629421
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 55
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.0974619641       11.3712835755
  H        10.4378890661        4.1481113723       11.6309322936
  H         9.4534075710        5.1386135507       10.8046293959
  O         5.7323785113       12.7609271569        7.5911479593
  H         6.1954800195       12.6741395578        8.4731938230
  H         6.4135466276       12.8183149946        6.8612738611
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.5950052527        7.9071005009        6.8520941846
  H        10.8513212691        8.3278431107        6.4604049007
  H        12.3916122912        8.3822098598        6.4783457543
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 56
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.0974619641       11.3712835755
  H        10.4378890661        4.1481113723       11.6309322936
  H         9.4534075710        5.1386135507       10.8046293959
  O         5.7323785113       12.7609271569        7.5911479593
  H         6.1954800195       12.6741395578        8.4731938230
  H         6.4135466276       12.8183149946        6.8612738611
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.5950052527        7.9071005009        6.8520941846
  H        10.8513212691        8.3278431107        6.4604049007
  H        12.3916122912        8.3822098598        6.4783457543
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 57
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.0974619641       11.3712835755
  H        10.4378890661        4.1481113723       11.6309322936
  H         9.4534075710        5.1386135507       10.8046293959
  O         5.7323785113       12.7609271569        7.5911479593
  H         6.1954800195       12.6741395578        8.4731938230
  H         6.4135466276       12.8183149946        6.8612738611
  O         1.0524763168        3.1924942536        0.2847631359
  H         1.0048502576        3.8827950354        1.0067164509
  H         1.3840649834        3.5889168254       -0.5713312903
  O        11.5950052527        7.9071005009        6.8520941846
  H        10.8513212691        8.3278431107        6.4604049007
  H        12.3916122912        8.3822098598        6.4783457543
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 58
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.0974619641       11.3712835755
  H        10.4378890661        4.1481113723       11.6309322936
  H         9.4534075710        5.1386135507       10.8046293959
  O         5.7323785113       12.7609271569        7.5911479593
  H         6.1954800195       12.6741395578        8.4731938230
  H         6.4135466276       12.8183149946        6.8612738611
  O         1.0452722788        3.1948490403        0.2847631359
  H         1.0810902081        3.8858631407        1.0067164509
  H         1.4221705542        3.5484725538       -0.5713312903
  O        11.5950052527        7.9071005009        6.8520941846
  H        10.8513212691        8.3278431107        6.4604049007
  H        12.3916122912        8.3822098598        6.4783457543
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 59
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.0974619641       11.3712835755
  H        10.4378890661        4.1481113723       11.6309322936
  H         9.4534075710        5.1386135507       10.8046293959
  O         5.7323785113       12.7609271569        7.5911479593
  H         6.1954800195       12.6741395578        8.4731938230
  H         6.4135466276       12.8183149946        6.8612738611
  O         1.0452722788        3.1948490403        0.2847631359
  H         1.0810902081        3.8858631407        1.0067164509
  H         1.4221705542        3.5484725538       -0.5713312903
  O        11.5897042539        7.9071005009        6.8513938789
  H        10.9004799991        8.3278431107        6.3702948358
  H        12.4265932455        8.3822098598        6.5795713660
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 60
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.0974619641       11.3712835755
  H        10.4378890661        4.1481113723       11.6309322936
  H         9.4534075710        5.1386135507       10.8046293959
  O         5.7323785113       12.7609271569        7.5911479593
  H         6.1954800195       12.6741395578        8.4731938230
  H         6.4135466276       12.8183149946        6.8612738611
  O         1.0452722788        3.1948490403        0.2847631359
  H         1.0810902081        3.8858631407        1.0067164509
  H         1.4221705542        3.5484725538       -0.5713312903
  O        11.5897042539        7.9071005009        6.8513938789
  H        10.9027813235        8.3299498216        6.3688526412
  H        12.4246397036        8.3843740911        6.5773641712
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 61
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.0974619641       11.3712835755
  H        10.4378890661        4.1481113723       11.6309322936
  H         9.4534075710        5.1386135507       10.8046293959
  O         5.7323785113       12.7609271569        7.5911479593
  H         6.1954800195       12.6741395578        8.4731938230
  H         6.4135466276       12.8183149946        6.8612738611
  O         1.0452722788        3.1948490403        0.2847631359
  H         1.0810902081        3.8858631407        1.0067164509
  H         1.4221705542        3.5484725538       -0.5713312903
  O        11.5897042539        7.9071005009        6.8513938789
  H        10.9027813235        8.3299498216        6.3688526412
  H        12.4246397036        8.3843740911        6.5773641712
  O         3.2550543976        5.5320982859       13.5007522202
  H         3.1691530908        4.8597230313       12.7655430782
  H         3.8889755034        6.2537445147       13.2225970155
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 62
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.0974619641       11.3712835755
  H        10.4378890661        4.1481113723       11.6309322936
  H         9.4534075710        5.1386135507       10.8046293959
  O         5.7323785113       12.7609271569        7.5911479593
  H         6.1954800195       12.6741395578        8.4731938230
  H         6.4135466276       12.8183149946        6.8612738611
  O         1.0452722788        3.1948490403        0.2847631359
  H         1.0810902081        3.8858631407        1.0067164509
  H         1.4221705542        3.5484725538       -0.5713312903
  O        11.5897042539        7.9071005009        6.8513938789
  H        10.9027813235        8.3299498216        6.3688526412
  H        12.4246397036        8.3843740911        6.5773641712
  O         3.2550543976        5.5170553710       13.4979563853
  H         3.1691530908        5.0654584767       12.6098791304
  H         3.8889755034        6.2867765429       13.4226376302
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 63
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.0974619641       11.3712835755
  H        10.4378890661        4.1481113723       11.6309322936
  H         9.4534075710        5.1386135507       10.8046293959
  O         5.7323785113       12.7609271569        7.5911479593
  H         6.1954800195       12.6741395578        8.4731938230
  H         6.4135466276       12.8183149946        6.8612738611
  O         1.0452722788        3.1948490403        0.2847631359
  H         1.0810902081        3.8858631407        1.0067164509
  H         1.4221705542        3.5484725538       -0.5713312903
  O        11.5897042539        7.9071005009        6.8513938789
  H        10.9027813235        8.3299498216        6.3688526412
  H        12.4246397036        8.3843740911        6.5773641712
  O         3.2550543976        5.5170553710       13.4979563853
  H         3.1691530908        5.0654584767       12.6098791304
  H         3.8889755034        6.2867765429       13.4226376302
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         2.8544048768        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 64
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.0974619641       11.3712835755
  H        10.4378890661        4.1481113723       11.6309322936
  H         9.4534075710        5.1386135507       10.8046293959
  O         5.7323785113       12.7609271569        7.5911479593
  H         6.1954800195       12.6741395578        8.4731938230
  H         6.4135466276       12.8183149946        6.8612738611
  O         1.0452722788        3.1948490403        0.2847631359
  H         1.0810902081        3.8858631407        1.0067164509
  H         1.4221705542        3.5484725538       -0.5713312903
  O        11.5897042539        7.9071005009        6.8513938789
  H        10.9027813235        8.3299498216        6.3688526412
  H        12.4246397036        8.3843740911        6.5773641712
  O         3.2550543976        5.5170553710       13.4979563853
  H         3.1691530908        5.0654584767       12.6098791304
  H         3.8889755034        6.2867765429       13.4226376302
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.1045715252        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 65
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.0974619641       11.3712835755
  H        10.4378890661        4.1481113723       11.6309322936
  H         9.4534075710        5.1386135507       10.8046293959
  O         5.7323785113       12.7609271569        7.5911479593
  H         6.1954800195       12.6741395578        8.4731938230
  H         6.4135466276       12.8183149946        6.8612738611
  O         1.0452722788        3.1948490403        0.2847631359
  H         1.0810902081        3.8858631407        1.0067164509
  H         1.4221705542        3.5484725538       -0.5713312903
  O        11.5897042539        7.9071005009        6.8513938789
  H        10.9027813235        8.3299498216        6.3688526412
  H        12.4246397036        8.3843740911        6.5773641712
  O         3.2550543976        5.5170553710       13.4979563853
  H         3.1691530908        5.0654584767       12.6098791304
  H         3.8889755034        6.2867765429       13.4226376302
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.1045715252        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 66
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.0974619641       11.3712835755
  H        10.4378890661        4.1481113723       11.6309322936
  H         9.4534075710        5.1386135507       10.8046293959
  O         5.7323785113       12.7609271569        7.5911479593
  H         6.1954800195       12.6741395578        8.4731938230
  H         6.4135466276       12.8183149946        6.8612738611
  O         1.0452722788        3.1948490403        0.2847631359
  H         1.0810902081        3.8858631407        1.0067164509
  H         1.4221705542        3.5484725538       -0.5713312903
  O        11.5897042539        7.9071005009        6.8513938789
  H        10.9027813235        8.3299498216        6.3688526412
  H        12.4246397036        8.3843740911        6.5773641712
  O         3.2550543976        5.5170553710       12.9542491133
  H         3.1691530908        5.0654584767       12.0661718585
  H         3.8889755034        6.2867765429       12.8789303583
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.1045715252        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 67
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.0974619641       11.3712835755
  H        10.3762215065        4.1287138590       11.5909059997
  H         9.4481318668        5.0640609556       10.8117065056
  O         5.7323785113       12.7609271569        7.5911479593
  H         6.1954800195       12.6741395578        8.4731938230
  H         6.4135466276       12.8183149946        6.8612738611
  O         1.0452722788        3.1948490403        0.2847631359
  H         1.0810902081        3.8858631407        1.0067164509
  H         1.4221705542        3.5484725538       -0.5713312903
  O        11.5897042539        7.9071005009        6.8513938789
  H        10.9027813235        8.3299498216        6.3688526412
  H        12.4246397036        8.3843740911        6.5773641712
  O         3.2550543976        5.5170553710       12.9542491133
  H         3.1691530908        5.0654584767       12.0661718585
  H         3.8889755034        6.2867765429       12.8789303583
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.1045715252        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 68
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.0974619641       11.3712835755
  H        10.3762215065        4.1287138590       11.5909059997
  H         9.4481318668        5.0640609556       10.8117065056
  O         5.7323785113       12.7609271569        7.5911479593
  H         6.1954800195       12.6741395578        8.4731938230
  H         6.4135466276       12.8183149946        6.8612738611
  O         1.0452722788        3.1948490403        0.2847631359
  H         1.0810902081        3.8858631407        1.0067164509
  H         1.4221705542        3.5484725538       -0.5713312903
  O        11.5897042539        7.9071005009        6.8513938789
  H        10.9027813235        8.3299498216        6.3688526412
  H        12.4246397036        8.3843740911        6.5773641712
  O         3.2550543976        5.5170553710       12.9542491133
  H         3.1691530908        5.0654584767       12.0661718585
  H         3.8889755034        6.2867765429       12.8789303583
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.1045715252        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 69
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.0974619641       11.3712835755
  H        10.3762215065        4.1287138590       11.5909059997
  H         9.4481318668        5.0640609556       10.8117065056
  O         5.7323785113       12.7609271569        7.5911479593
  H         6.1954800195       12.6741395578        8.4731938230
  H         6.4135466276       12.8183149946        6.8612738611
  O         1.0452722788        3.1948490403        0.2847631359
  H         1.0810902081        3.8858631407        1.0067164509
  H         1.4221705542        3.5484725538       -0.5713312903
  O        11.5897042539        7.9071005009        6.8513938789
  H        10.9027813235        8.3299498216        6.3688526412
  H        12.4246397036        8.3843740911        6.5773641712
  O         3.2550543976        5.5170553710       12.9542491133
  H         3.1691530908        5.0654584767       12.0661718585
  H         3.8889755034        6.2867765429       12.8789303583
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.1045715252        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 70
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.0974619641       11.3712835755
  H        10.3762215065        4.1287138590       11.5909059997
  H         9.4481318668        5.0640609556       10.8117065056
  O         5.7323785113       12.7609271569        7.5911479593
  H         6.1954800195       12.6741395578        8.4731938230
  H         6.4135466276       12.8183149946        6.8612738611
  O         1.0452722788        3.1948490403        0.2847631359
  H         1.0810902081        3.8858631407        1.0067164509
  H         1.4221705542        3.5484725538       -0.5713312903
  O        11.5897042539        7.9071005009        6.8513938789
  H        10.9027813235        8.3299498216        6.3688526412
  H        12.4246397036        8.3843740911        6.5773641712
  O         3.2550543976        5.5170553710       12.9542491133
  H         3.1691530908        5.0654584767       12.0661718585
  H         3.8889755034        6.2867765429       12.8789303583
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.1045715252        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 71
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.0974619641       11.3712835755
  H        10.3762215065        4.1287138590       11.5909059997
  H         9.4481318668        5.0640609556       10.8117065056
  O         5.7323785113       12.7609271569        7.5911479593
  H         6.1954800195       12.6741395578        8.4731938230
  H         6.4135466276       12.8183149946        6.8612738611
  O         1.0565720889        3.1915690062        0.2847631359
  H         0.9629564847        3.8771487094        1.0067164509
  H         1.3609489373        3.6092490673       -0.5713312903
  O        11.5897042539        7.9071005009        6.8513938789
  H        10.9027813235        8.3299498216        6.3688526412
  H        12.4246397036        8.3843740911        6.5773641712
  O         3.2550543976        5.5170553710       12.9542491133
  H         3.1691530908        5.0654584767       12.0661718585
  H         3.8889755034        6.2867765429       12.8789303583
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.1045715252        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 72
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.0974619641       11.3712835755
  H        10.3762215065        4.1287138590       11.5909059997
  H         9.4481318668        5.0640609556       10.8117065056
  O         5.7323785113       12.7609271569        7.5911479593
  H         6.1954800195       12.6741395578        8.4731938230
  H         6.4135466276       12.8183149946        6.8612738611
  O         1.0565720889        3.1915690062        0.2847631359
  H         0.9629564847        3.8771487094        1.0067164509
  H         1.3609489373        3.6092490673       -0.5713312903
  O        11.5897042539        7.9071005009        6.8513938789
  H        10.9027813235        8.3299498216        6.3688526412
  H        12.4246397036        8.3843740911        6.5773641712
  O         3.2550543976        5.5170553710       12.9542491133
  H         3.1691530908        5.0654584767       12.0661718585
  H         3.8889755034        6.2867765429       12.8789303583
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.1045715252        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 73
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.0974619641       11.3712835755
  H        10.3762215065        4.1287138590       11.5909059997
  H         9.4481318668        5.0640609556       10.8117065056
  O         5.7335770513       12.7610281329        7.5898637193
  H         6.1966785595       12.6742405338        8.4719095831
  H         6.3933243563       12.8166112853        6.8829420980
  O         1.0565720889        3.1915690062        0.2847631359
  H         0.9629564847        3.8771487094        1.0067164509
  H         1.3609489373        3.6092490673       -0.5713312903
  O        11.5897042539        7.9071005009        6.8513938789
  H        10.9027813235        8.3299498216        6.3688526412
  H        12.4246397036        8.3843740911        6.5773641712
  O         3.2550543976        5.5170553710       12.9542491133
  H         3.1691530908        5.0654584767       12.0661718585
  H         3.8889755034        6.2867765429       12.8789303583
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.1045715252        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 74
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.0974619641       11.3712835755
  H        10.3762215065        4.1287138590       11.5909059997
  H         9.4481318668        5.0640609556       10.8117065056
  O         5.7335770513       12.7610281329        7.5898637193
  H         6.2353843150       12.6756591345        8.4506201333
  H         6.4240073612       12.8134857623        6.9126278990
  O         1.0565720889        3.1915690062        0.2847631359
  H         0.9629564847        3.8771487094        1.0067164509
  H         1.3609489373        3.6092490673       -0.5713312903
  O        11.5897042539        7.9071005009        6.8513938789
  H        10.9027813235        8.3299498216        6.3688526412
  H        12.4246397036        8.3843740911        6.5773641712
  O         3.2550543976        5.5170553710       12.9542491133
  H         3.1691530908        5.0654584767       12.0661718585
  H         3.8889755034        6.2867765429       12.8789303583
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.1045715252        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 75
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.0974619641       11.3712835755
  H        10.3762215065        4.1287138590       11.5909059997
  H         9.4481318668        5.0640609556       10.8117065056
  O         5.7335770513       12.7610281329        7.5898637193
  H         6.2353843150       12.6756591345        8.4506201333
  H         6.4240073612       12.8134857623        6.9126278990
  O         1.0565720889        3.1915690062        0.2847631359
  H         0.9629564847        3.8771487094        1.0067164509
  H         1.3609489373        3.6092490673       -0.5713312903
  O        11.5917451103        7.9071005009        6.8517425124
  H        10.8824584489        8.3299498216        6.4027195840
  H        12.4125692460        8.3843740911        6.5379635707
  O         3.2550543976        5.5170553710       12.9542491133
  H         3.1691530908        5.0654584767       12.0661718585
  H         3.8889755034        6.2867765429       12.8789303583
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.1045715252        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 76
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.0974619641       11.3712835755
  H        10.3762215065        4.1287138590       11.5909059997
  H         9.4481318668        5.0640609556       10.8117065056
  O         5.7335770513       12.7610281329        7.5898637193
  H         6.2353843150       12.6756591345        8.4506201333
  H         6.4240073612       12.8134857623        6.9126278990
  O         1.0565720889        3.1915690062        0.2847631359
  H         0.9629564847        3.8771487094        1.0067164509
  H         1.3609489373        3.6092490673       -0.5713312903
  O        11.5917451103        7.9071005009        6.8517425124
  H        10.8824584489        8.3299498216        6.4027195840
  H        12.4125692460        8.3843740911        6.5379635707
  O         3.2550543976        5.5170553710       12.9542491133
  H         3.1691530908        5.0654584767       12.0661718585
  H         3.8889755034        6.2867765429       12.8789303583
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.1045715252        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 77
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.7335770513       12.7610281329        7.5898637193
  H         6.2353843150       12.6756591345        8.4506201333
  H         6.4240073612       12.8134857623        6.9126278990
  O         1.0565720889        3.1915690062        0.2847631359
  H         0.9629564847        3.8771487094        1.0067164509
  H         1.3609489373        3.6092490673       -0.5713312903
  O        11.5917451103        7.9071005009        6.8517425124
  H        10.8824584489        8.3299498216        6.4027195840
  H        12.4125692460        8.3843740911        6.5379635707
  O         3.2550543976        5.5170553710       12.9542491133
  H         3.1691530908        5.0654584767       12.0661718585
  H         3.8889755034        6.2867765429       12.8789303583
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.1045715252        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 78
  O        11.6675998372        7.4408173472       -0.0161908227
  H        10.8341966980        7.4687639578        0.5357676852
  H        11.3009822968        7.2456232633       -0.9258558240
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.7335770513       12.7610281329        7.5898637193
  H         6.2353843150       12.6756591345        8.4506201333
  H         6.4240073612       12.8134857623        6.9126278990
  O         1.0565720889        3.1915690062        0.2847631359
  H         0.9629564847        3.8771487094        1.0067164509
  H         1.3609489373        3.6092490673       -0.5713312903
  O        11.5917451103        7.9071005009        6.8517425124
  H        10.8824584489        8.3299498216        6.4027195840
  H        12.4125692460        8.3843740911        6.5379635707
  O         3.6292333329        5.5170553710       12.9542491133
  H         3.5433320260        5.0654584767       12.0661718585
  H         4.2631544387        6.2867765429       12.8789303583
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.1045715252        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 79
  O        11.6702675055        7.4408173472       -0.0421405016
  H        11.0965472088        7.4687639578        0.7764338739
  H        10.9962894332        7.2456232633       -0.7546377952
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.7335770513       12.7610281329        7.5898637193
  H         6.2353843150       12.6756591345        8.4506201333
  H         6.4240073612       12.8134857623        6.9126278990
  O         1.0565720889        3.1915690062        0.2847631359
  H         0.9629564847        3.8771487094        1.0067164509
  H         1.3609489373        3.6092490673       -0.5713312903
  O        11.5917451103        7.9071005009        6.8517425124
  H        10.8824584489        8.3299498216        6.4027195840
  H        12.4125692460        8.3843740911        6.5379635707
  O         3.6292333329        5.5170553710       12.9542491133
  H         3.5433320260        5.0654584767       12.0661718585
  H         4.2631544387        6.2867765429       12.8789303583
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.1045715252        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 80
  O        11.6702675055        7.4408173472       -0.0421405016
  H        11.0965472088        7.4687639578        0.7764338739
  H        10.9962894332        7.2456232633       -0.7546377952
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.7335770513       12.7610281329        7.5898637193
  H         6.2353843150       12.6756591345        8.4506201333
  H         6.4240073612       12.8134857623        6.9126278990
  O         1.0565720889        3.1915690062        0.2847631359
  H         0.9629564847        3.8771487094        1.0067164509
  H         1.3609489373        3.6092490673       -0.5713312903
  O        11.6284973574        7.9071005009        6.8517425124
  H        10.9192106960        8.3299498216        6.4027195840
  H        12.4493214931        8.3843740911        6.5379635707
  O         3.6292333329        5.5170553710       12.9542491133
  H         3.5433320260        5.0654584767       12.0661718585
  H         4.2631544387        6.2867765429       12.8789303583
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.1045715252        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 81
  O        11.6702675055        7.4408173472       -0.0421405016
  H        11.0965472088        7.4687639578        0.7764338739
  H        10.9962894332        7.2456232633       -0.7546377952
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.7335770513       12.7610281329        7.5898637193
  H         6.2353843150       12.6756591345        8.4506201333
  H         6.4240073612       12.8134857623        6.9126278990
  O         1.0565720889        3.1915690062        0.2847631359
  H         0.9629564847        3.8771487094        1.0067164509
  H         1.3609489373        3.6092490673       -0.5713312903
  O        11.6284973574        7.9071005009        6.8517425124
  H        10.9192106960        8.3299498216        6.4027195840
  H        12.4493214931        8.3843740911        6.5379635707
  O         3.2962814337        5.5170553710       12.9542491133
  H         3.2103801269        5.0654584767       12.0661718585
  H         3.9302025395        6.2867765429       12.8789303583
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.1045715252        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 82
  O        11.6702675055        7.4408173472       -0.0421405016
  H        11.0965472088        7.4687639578        0.7764338739
  H        10.9962894332        7.2456232633       -0.7546377952
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.7335770513       12.7610281329        7.5898637193
  H         6.2353843150       12.6756591345        8.4506201333
  H         6.4240073612       12.8134857623        6.9126278990
  O         1.0565720889        3.1915690062        0.2847631359
  H         0.9629564847        3.8771487094        1.0067164509
  H         1.3609489373        3.6092490673       -0.5713312903
  O        11.6284973574        7.9071005009        6.8517425124
  H        10.9192106960        8.3299498216        6.4027195840
  H        12.4493214931        8.3843740911        6.5379635707
  O         3.2962814337        5.5170553710       13.0344185913
  H         3.2103801269        5.0654584767       12.1463413364
  H         3.9302025395        6.2867765429       12.9590998362
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.1045715252        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 83
  O        11.6702675055        7.4408173472       -0.0421405016
  H        11.0965472088        7.4687639578        0.7764338739
  H        10.9962894332        7.2456232633       -0.7546377952
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.7341368301       12.7609329016        7.5908239150
  H         6.2259394918       12.6772659169        8.4344193072
  H         6.4245671400       12.8133905310        6.9135880948
  O         1.0565720889        3.1915690062        0.2847631359
  H         0.9629564847        3.8771487094        1.0067164509
  H         1.3609489373        3.6092490673       -0.5713312903
  O        11.6284973574        7.9071005009        6.8517425124
  H        10.9192106960        8.3299498216        6.4027195840
  H        12.4493214931        8.3843740911        6.5379635707
  O         3.2962814337        5.5170553710       13.0344185913
  H         3.2103801269        5.0654584767       12.1463413364
  H         3.9302025395        6.2867765429       12.9590998362
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.1045715252        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 84
  O        11.6702675055        7.4408173472       -0.0421405016
  H        11.0965472088        7.4687639578        0.7764338739
  H        10.9962894332        7.2456232633       -0.7546377952
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.7341368301       12.7609329016        7.5908239150
  H         6.2259394918       12.6772659169        8.4344193072
  H         6.4245671400       12.8133905310        6.9135880948
  O         1.0565720889        3.1915690062        0.2847631359
  H         0.9629564847        3.8771487094        1.0067164509
  H         1.3609489373        3.6092490673       -0.5713312903
  O        11.6284973574        7.9071005009        6.8517425124
  H        10.9192106960        8.3299498216        6.4027195840
  H        12.4493214931        8.3843740911        6.5379635707
  O         3.2962814337        5.5170553710       12.6353847249
  H         3.2103801269        5.0654584767       11.7473074700
  H         3.9302025395        6.2867765429       12.5600659698
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.1045715252        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 85
  O        11.6702675055        7.4408173472       -0.0421405016
  H        11.0965472088        7.4687639578        0.7764338739
  H        10.9962894332        7.2456232633       -0.7546377952
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.7341368301       12.7609329016        7.5908239150
  H         6.2259394918       12.6772659169        8.4344193072
  H         6.4245671400       12.8133905310        6.9135880948
  O         1.0565720889        3.1935190576        0.2601321811
  H         0.9629564847        3.5438412061        1.1920712944
  H         1.3609489373        3.9116045336       -0.3657332591
  O        11.6284973574        7.9071005009        6.8517425124
  H        10.9192106960        8.3299498216        6.4027195840
  H        12.4493214931        8.3843740911        6.5379635707
  O         3.2962814337        5.5170553710       12.6353847249
  H         3.2103801269        5.0654584767       11.7473074700
  H         3.9302025395        6.2867765429       12.5600659698
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.1045715252        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 86
  O        11.6702675055        7.4408173472       -0.0421405016
  H        11.0965472088        7.4687639578        0.7764338739
  H        10.9962894332        7.2456232633       -0.7546377952
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.7341368301       12.7609329016        7.5908239150
  H         6.2259394918       12.6772659169        8.4344193072
  H         6.4245671400       12.8133905310        6.9135880948
  O         1.0565720889        3.1935190576        0.2601321811
  H         0.9629564847        3.5438412061        1.1920712944
  H         1.3609489373        3.9116045336       -0.3657332591
  O        11.6284973574        7.9071005009        6.8517425124
  H        10.9192106960        8.3299498216        6.4027195840
  H        12.4493214931        8.3843740911        6.5379635707
  O         3.2962814337        5.5170553710       12.6353847249
  H         3.2103801269        5.0654584767       11.7473074700
  H         3.9302025395        6.2867765429       12.5600659698
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.1045715252        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 87
  O        11.6702675055        7.4408173472       -0.0421405016
  H        11.0965472088        7.4687639578        0.7764338739
  H        10.9962894332        7.2456232633       -0.7546377952
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.7341368301       12.7609329016        7.5908239150
  H         6.2259394918       12.6772659169        8.4344193072
  H         6.4245671400       12.8133905310        6.9135880948
  O         1.0565720889        3.1935190576        0.2601321811
  H         0.9629564847        3.5438412061        1.1920712944
  H         1.3609489373        3.9116045336       -0.3657332591
  O        11.6284973574        7.9071005009        6.8517425124
  H        10.9192106960        8.3299498216        6.4027195840
  H        12.4493214931        8.3843740911        6.5379635707
  O         3.2962814337        5.5278967583       12.6378194576
  H         3.2103801269        4.9119552339       11.8547249525
  H         3.9302025395        6.2682007251       12.4140033852
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.1045715252        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 88
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.7341368301       12.7609329016        7.5908239150
  H         6.2259394918       12.6772659169        8.4344193072
  H         6.4245671400       12.8133905310        6.9135880948
  O         1.0565720889        3.1935190576        0.2601321811
  H         0.9629564847        3.5438412061        1.1920712944
  H         1.3609489373        3.9116045336       -0.3657332591
  O        11.6284973574        7.9071005009        6.8517425124
  H        10.9192106960        8.3299498216        6.4027195840
  H        12.4493214931        8.3843740911        6.5379635707
  O         3.2962814337        5.5278967583       12.6378194576
  H         3.2103801269        4.9119552339       11.8547249525
  H         3.9302025395        6.2682007251       12.4140033852
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.1045715252        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 89
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3139972420        5.0094800696        2.5593447699
  H         1.6658988147        5.6577647032        2.9475463107
  H         2.6595571288        5.3635116168        1.6902937967
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.7341368301       12.7609329016        7.5908239150
  H         6.2259394918       12.6772659169        8.4344193072
  H         6.4245671400       12.8133905310        6.9135880948
  O         1.0565720889        3.1935190576        0.2601321811
  H         0.9629564847        3.5438412061        1.1920712944
  H         1.3609489373        3.9116045336       -0.3657332591
  O        11.6284973574        7.9071005009        6.8517425124
  H        10.9192106960        8.3299498216        6.4027195840
  H        12.4493214931        8.3843740911        6.5379635707
  O         3.2962814337        5.5278967583       12.6378194576
  H         3.2103801269        4.9119552339       11.8547249525
  H         3.9302025395        6.2682007251       12.4140033852
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.1045715252        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 90
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3148200948        5.0097350553        2.5593447699
  H         1.6572587019        5.6484192905        2.9475463107
  H         2.6551365757        5.3688097893        1.6902937967
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.7341368301       12.7609329016        7.5908239150
  H         6.2259394918       12.6772659169        8.4344193072
  H         6.4245671400       12.8133905310        6.9135880948
  O         1.0565720889        3.1935190576        0.2601321811
  H         0.9629564847        3.5438412061        1.1920712944
  H         1.3609489373        3.9116045336       -0.3657332591
  O        11.6284973574        7.9071005009        6.8517425124
  H        10.9192106960        8.3299498216        6.4027195840
  H        12.4493214931        8.3843740911        6.5379635707
  O         3.2962814337        5.5278967583       12.6378194576
  H         3.2103801269        4.9119552339       11.8547249525
  H         3.9302025395        6.2682007251       12.4140033852
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.1045715252        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 91
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3148200948        5.0097350553        2.5593447699
  H         1.6572587019        5.6484192905        2.9475463107
  H         2.6551365757        5.3688097893        1.6902937967
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.7341368301       12.7609329016        7.5908239150
  H         6.2259394918       12.6772659169        8.4344193072
  H         6.4245671400       12.8133905310        6.9135880948
  O         1.0565720889        3.1935190576        0.2601321811
  H         0.9629564847        3.5438412061        1.1920712944
  H         1.3609489373        3.9116045336       -0.3657332591
  O        11.6284973574        7.9071005009        6.8517425124
  H        10.9192106960        8.3299498216        6.4027195840
  H        12.4493214931        8.3843740911        6.5379635707
  O         3.2962814337        5.5278967583       12.6378194576
  H         3.2103801269        4.9119552339       11.8547249525
  H         3.9302025395        6.2682007251       12.4140033852
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.1045715252        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 92
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3148200948        5.0097350553        2.5593447699
  H         1.6572587019        5.6484192905        2.9475463107
  H         2.6551365757        5.3688097893        1.6902937967
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.7341368301       12.7609329016        7.5908239150
  H         6.2259394918       12.6772659169        8.4344193072
  H         6.4245671400       12.8133905310        6.9135880948
  O         1.0565720889        3.1935190576        0.2601321811
  H         0.9629564847        3.5438412061        1.1920712944
  H         1.3609489373        3.9116045336       -0.3657332591
  O        11.6284973574        7.9071005009        6.8517425124
  H        10.9192106960        8.3299498216        6.4027195840
  H        12.4493214931        8.3843740911        6.5379635707
  O         3.2962814337        5.5278967583       12.6378194576
  H         3.2025373410        4.9050764863       11.8610910921
  H         3.9285134507        6.2729163956       12.4251507418
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.1045715252        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 93
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3144552521        5.0100894241        2.5595601604
  H         1.6634144811        5.6424402303        2.9439121512
  H         2.6547717330        5.3691641582        1.6905091872
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.7341368301       12.7609329016        7.5908239150
  H         6.2259394918       12.6772659169        8.4344193072
  H         6.4245671400       12.8133905310        6.9135880948
  O         1.0565720889        3.1935190576        0.2601321811
  H         0.9629564847        3.5438412061        1.1920712944
  H         1.3609489373        3.9116045336       -0.3657332591
  O        11.6284973574        7.9071005009        6.8517425124
  H        10.9192106960        8.3299498216        6.4027195840
  H        12.4493214931        8.3843740911        6.5379635707
  O         3.2962814337        5.5278967583       12.6378194576
  H         3.2025373410        4.9050764863       11.8610910921
  H         3.9285134507        6.2729163956       12.4251507418
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.1045715252        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 94
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3144552521        5.0100894241        2.5595601604
  H         1.6634144811        5.6424402303        2.9439121512
  H         2.6547717330        5.3691641582        1.6905091872
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.7341368301       12.7609329016        7.5908239150
  H         6.2259394918       12.6772659169        8.4344193072
  H         6.4245671400       12.8133905310        6.9135880948
  O         1.0565720889        3.1935190576        0.2601321811
  H         0.9629564847        3.5438412061        1.1920712944
  H         1.3609489373        3.9116045336       -0.3657332591
  O        11.6284973574        7.9071005009        6.8517425124
  H        10.9192106960        8.3299498216        6.4027195840
  H        12.4493214931        8.3843740911        6.5379635707
  O         3.2962814337        5.5278967583       12.6378194576
  H         3.2025373410        4.9050764863       11.8610910921
  H         3.9285134507        6.2729163956       12.4251507418
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5726145816        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 95
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3144552521        5.0100894241        2.5595601604
  H         1.6634144811        5.6424402303        2.9439121512
  H         2.6547717330        5.3691641582        1.6905091872
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.7341368301       12.7609329016        7.5908239150
  H         6.2259394918       12.6772659169        8.4344193072
  H         6.4245671400       12.8133905310        6.9135880948
  O         1.0565720889        3.1935190576        0.2601321811
  H         0.9629564847        3.5438412061        1.1920712944
  H         1.3609489373        3.9116045336       -0.3657332591
  O        11.6284973574        7.9071005009        6.8517425124
  H        10.9192106960        8.3299498216        6.4027195840
  H        12.4493214931        8.3843740911        6.5379635707
  O         3.2962814337        5.5278967583       12.6378194576
  H         3.2025373410        4.9050764863       11.8610910921
  H         3.9285134507        6.2729163956       12.4251507418
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5726145816        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 96
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3144552521        5.0100894241        2.5595601604
  H         1.6634144811        5.6424402303        2.9439121512
  H         2.6547717330        5.3691641582        1.6905091872
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.7341368301       12.7609329016        7.5908239150
  H         6.2259394918       12.6772659169        8.4344193072
  H         6.4245671400       12.8133905310        6.9135880948
  O         1.0565720889        3.1935190576        0.2601321811
  H         0.9629564847        3.5438412061        1.1920712944
  H         1.3609489373        3.9116045336       -0.3657332591
  O        11.6284973574        7.9071005009        6.8517425124
  H        10.9192106960        8.3299498216        6.4027195840
  H        12.4493214931        8.3843740911        6.5379635707
  O         3.2962814337        5.5158076082       12.6378194576
  H         3.2025373410        4.8929873361       11.8610910921
  H         3.9285134507        6.2608272454       12.4251507418
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.5400000000        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5726145816        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 97
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3144552521        5.0100894241        2.5595601604
  H         1.6634144811        5.6424402303        2.9439121512
  H         2.6547717330        5.3691641582        1.6905091872
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.7341368301       12.7609329016        7.5908239150
  H         6.2259394918       12.6772659169        8.4344193072
  H         6.4245671400       12.8133905310        6.9135880948
  O         1.0565720889        3.1935190576        0.2601321811
  H         0.9629564847        3.5438412061        1.1920712944
  H         1.3609489373        3.9116045336       -0.3657332591
  O        11.6284973574        7.9071005009        6.8517425124
  H        10.9192106960        8.3299498216        6.4027195840
  H        12.4493214931        8.3843740911        6.5379635707
  O         3.2962814337        5.5158076082       12.6378194576
  H         3.2025373410        4.8929873361       11.8610910921
  H         3.9285134507        6.2608272454       12.4251507418
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5726145816        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 98
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3144552521        5.0100894241        2.5595601604
  H         1.6634144811        5.6424402303        2.9439121512
  H         2.6547717330        5.3691641582        1.6905091872
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.7341368301       12.7609329016        7.5908239150
  H         6.2259394918       12.6772659169        8.4344193072
  H         6.4245671400       12.8133905310        6.9135880948
  O         1.0565720889        3.1935190576        0.2601321811
  H         0.9629564847        3.5438412061        1.1920712944
  H         1.3609489373        3.9116045336       -0.3657332591
  O        11.6284973574        7.9071005009        6.8517425124
  H        10.9192106960        8.3299498216        6.4027195840
  H        12.4493214931        8.3843740911        6.5379635707
  O         3.2962814337        5.5158076082       12.6378194576
  H         3.2025373410        4.8929873361       11.8610910921
  H         3.9285134507        6.2608272454       12.4251507418
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5726145816        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 99
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3144552521        5.0100894241        2.5595601604
  H         1.6634144811        5.6424402303        2.9439121512
  H         2.6547717330        5.3691641582        1.6905091872
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.7341368301       12.7609329016        7.5908239150
  H         6.2259394918       12.6772659169        8.4344193072
  H         6.4245671400       12.8133905310        6.9135880948
  O         1.0565720889        3.1935190576        0.2601321811
  H         0.9629564847        3.5438412061        1.1920712944
  H         1.3609489373        3.9116045336       -0.3657332591
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.6378194576
  H         3.2025373410        4.8929873361       11.8610910921
  H         3.9285134507        6.2608272454       12.4251507418
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5726145816        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 100
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3115309378        5.0092562470        2.5595601604
  H         1.6944450272        5.6747835616        2.9439121512
  H         2.6701571344        5.3500453649        1.6905091872
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.7341368301       12.7609329016        7.5908239150
  H         6.2259394918       12.6772659169        8.4344193072
  H         6.4245671400       12.8133905310        6.9135880948
  O         1.0565720889        3.1935190576        0.2601321811
  H         0.9629564847        3.5438412061        1.1920712944
  H         1.3609489373        3.9116045336       -0.3657332591
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.6378194576
  H         3.2025373410        4.8929873361       11.8610910921
  H         3.9285134507        6.2608272454       12.4251507418
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.9517531208
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5726145816        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 101
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3115309378        5.0092562470        2.5595601604
  H         1.6944450272        5.6747835616        2.9439121512
  H         2.6701571344        5.3500453649        1.6905091872
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.7341368301       12.7609329016        7.5908239150
  H         6.2259394918       12.6772659169        8.4344193072
  H         6.4245671400       12.8133905310        6.9135880948
  O         1.0565720889        3.1935190576        0.2601321811
  H         0.9629564847        3.5438412061        1.1920712944
  H         1.3609489373        3.9116045336       -0.3657332591
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.6378194576
  H         3.2025373410        4.8929873361       11.8610910921
  H         3.9285134507        6.2608272454       12.4251507418
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5726145816        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 102
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3115309378        5.0092562470        2.5595601604
  H         1.6944450272        5.6747835616        2.9439121512
  H         2.6701571344        5.3500453649        1.6905091872
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.7378572728       12.7372455987        7.5908239150
  H         6.2271880351       12.8343302391        8.4344193072
  H         6.3642661648       13.0323010439        6.9135880948
  O         1.0565720889        3.1935190576        0.2601321811
  H         0.9629564847        3.5438412061        1.1920712944
  H         1.3609489373        3.9116045336       -0.3657332591
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.6378194576
  H         3.2025373410        4.8929873361       11.8610910921
  H         3.9285134507        6.2608272454       12.4251507418
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5726145816        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 103
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3115309378        5.0092562470        2.5595601604
  H         1.6944450272        5.6747835616        2.9439121512
  H         2.6701571344        5.3500453649        1.6905091872
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.7378572728       12.7372455987        7.5908239150
  H         6.2271880351       12.8343302391        8.4344193072
  H         6.3642661648       13.0323010439        6.9135880948
  O         1.0565720889        3.1935190576        0.2601321811
  H         0.9629564847        3.5438412061        1.1920712944
  H         1.3609489373        3.9116045336       -0.3657332591
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.6378194576
  H         3.2025373410        4.8929873361       11.8610910921
  H         3.9285134507        6.2608272454       12.4251507418
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5726145816        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 104
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3104147971        5.0104600050        2.5602553487
  H         1.7132770222        5.6544732500        2.9321826422
  H         2.6690409937        5.3512491230        1.6912043755
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.7378572728       12.7372455987        7.5908239150
  H         6.2271880351       12.8343302391        8.4344193072
  H         6.3642661648       13.0323010439        6.9135880948
  O         1.0565720889        3.1935190576        0.2601321811
  H         0.9629564847        3.5438412061        1.1920712944
  H         1.3609489373        3.9116045336       -0.3657332591
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.6378194576
  H         3.2025373410        4.8929873361       11.8610910921
  H         3.9285134507        6.2608272454       12.4251507418
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5726145816        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 105
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3104147971        5.0104600050        2.5602553487
  H         1.7132770222        5.6544732500        2.9321826422
  H         2.6690409937        5.3512491230        1.6912043755
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.7378572728       12.7372455987        7.5908239150
  H         6.2271880351       12.8343302391        8.4344193072
  H         6.3642661648       13.0323010439        6.9135880948
  O         1.0565720889        3.1935190576        0.2601321811
  H         0.9629564847        3.5438412061        1.1920712944
  H         1.3609489373        3.9116045336       -0.3657332591
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.6378194576
  H         3.2025373410        4.8929873361       11.8610910921
  H         3.9285134507        6.2608272454       12.4251507418
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5726145816        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 106
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3104147971        5.0104600050        2.5602553487
  H         1.7132770222        5.6544732500        2.9321826422
  H         2.6690409937        5.3512491230        1.6912043755
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.7378572728       12.7372455987        7.5908239150
  H         6.2271880351       12.8343302391        8.4344193072
  H         6.3642661648       13.0323010439        6.9135880948
  O         1.0495700221        3.1953380881        0.2601321811
  H         0.9981350320        3.5542864561        1.1920712944
  H         1.4369101408        3.8722868668       -0.3657332591
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.6378194576
  H         3.2025373410        4.8929873361       11.8610910921
  H         3.9285134507        6.2608272454       12.4251507418
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5726145816        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 107
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3104147971        5.0104600050        2.5602553487
  H         1.7132770222        5.6544732500        2.9321826422
  H         2.6690409937        5.3512491230        1.6912043755
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.5591063941       12.7372455987        7.5908239150
  H         6.0484371564       12.8343302391        8.4344193072
  H         6.1855152861       13.0323010439        6.9135880948
  O         1.0495700221        3.1953380881        0.2601321811
  H         0.9981350320        3.5542864561        1.1920712944
  H         1.4369101408        3.8722868668       -0.3657332591
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.6378194576
  H         3.2025373410        4.8929873361       11.8610910921
  H         3.9285134507        6.2608272454       12.4251507418
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5726145816        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 108
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3104147971        5.0104600050        2.5602553487
  H         1.7132770222        5.6544732500        2.9321826422
  H         2.6690409937        5.3512491230        1.6912043755
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.5591063941       12.7372455987        7.5908239150
  H         6.0484371564       12.8343302391        8.4344193072
  H         6.1855152861       13.0323010439        6.9135880948
  O         1.0495700221        3.1953380881        0.2601321811
  H         0.9981350320        3.5542864561        1.1920712944
  H         1.4369101408        3.8722868668       -0.3657332591
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.0604190455
  H         3.2025373410        4.8929873361       11.2836906799
  H         3.9285134507        6.2608272454       11.8477503296
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5726145816        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 109
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3192534657        5.0104600050        2.5538796971
  H         1.8886930542        5.6544732500        3.1102259614
  H         2.3533338958        5.3512491230        1.6143580809
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.5591063941       12.7372455987        7.5908239150
  H         6.0484371564       12.8343302391        8.4344193072
  H         6.1855152861       13.0323010439        6.9135880948
  O         1.0495700221        3.1953380881        0.2601321811
  H         0.9981350320        3.5542864561        1.1920712944
  H         1.4369101408        3.8722868668       -0.3657332591
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.0604190455
  H         3.2025373410        4.8929873361       11.2836906799
  H         3.9285134507        6.2608272454       11.8477503296
 AR         1.4300000000        3.5400000000        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5726145816        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 110
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3192534657        5.0104600050        2.5538796971
  H         1.8886930542        5.6544732500        3.1102259614
  H         2.3533338958        5.3512491230        1.6143580809
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.5591063941       12.7372455987        7.5908239150
  H         6.0484371564       12.8343302391        8.4344193072
  H         6.1855152861       13.0323010439        6.9135880948
  O         1.0495700221        3.1953380881        0.2601321811
  H         0.9981350320        3.5542864561        1.1920712944
  H         1.4369101408        3.8722868668       -0.3657332591
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.0604190455
  H         3.2025373410        4.8929873361       11.2836906799
  H         3.9285134507        6.2608272454       11.8477503296
 AR         1.4300000000        3.2734645588        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5726145816        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 111
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3192534657        5.0104600050        2.5538796971
  H         1.8886930542        5.6544732500        3.1102259614
  H         2.3533338958        5.3512491230        1.6143580809
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.5591063941       12.7372455987        7.5908239150
  H         6.0484371564       12.8343302391        8.4344193072
  H         6.1855152861       13.0323010439        6.9135880948
  O         1.0495700221        3.1953380881        0.2601321811
  H         0.9981350320        3.5542864561        1.1920712944
  H         1.4369101408        3.8722868668       -0.3657332591
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.0604190455
  H         3.2025373410        4.8929873361       11.2836906799
  H         3.9285134507        6.2608272454       11.8477503296
 AR         1.3002208328        3.2734645588        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5726145816        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 112
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3244516958        5.0104600050        2.5466527341
  H         2.0706754842        5.6544732500        3.2027785362
  H         2.0888429720        5.3512491230        1.6365149027
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.5591063941       12.7372455987        7.5908239150
  H         6.0484371564       12.8343302391        8.4344193072
  H         6.1855152861       13.0323010439        6.9135880948
  O         1.0495700221        3.1953380881        0.2601321811
  H         0.9981350320        3.5542864561        1.1920712944
  H         1.4369101408        3.8722868668       -0.3657332591
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.0604190455
  H         3.2025373410        4.8929873361       11.2836906799
  H         3.9285134507        6.2608272454       11.8477503296
 AR         1.3002208328        3.2734645588        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5726145816        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 113
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3244516958        5.5383208303        2.5466527341
  H         2.0706754842        6.1823340753        3.2027785362
  H         2.0888429720        5.8791099482        1.6365149027
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.5591063941       12.7372455987        7.5908239150
  H         6.0484371564       12.8343302391        8.4344193072
  H         6.1855152861       13.0323010439        6.9135880948
  O         1.0495700221        3.1953380881        0.2601321811
  H         0.9981350320        3.5542864561        1.1920712944
  H         1.4369101408        3.8722868668       -0.3657332591
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.0604190455
  H         3.2025373410        4.8929873361       11.2836906799
  H         3.9285134507        6.2608272454       11.8477503296
 AR         1.3002208328        3.2734645588        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5726145816        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 114
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3244516958        5.5383208303        2.5466527341
  H         2.0674506641        6.1879511595        3.1959503536
  H         2.0852477047        5.8873492912        1.6405842213
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.5591063941       12.7372455987        7.5908239150
  H         6.0484371564       12.8343302391        8.4344193072
  H         6.1855152861       13.0323010439        6.9135880948
  O         1.0495700221        3.1953380881        0.2601321811
  H         0.9981350320        3.5542864561        1.1920712944
  H         1.4369101408        3.8722868668       -0.3657332591
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.0604190455
  H         3.2025373410        4.8929873361       11.2836906799
  H         3.9285134507        6.2608272454       11.8477503296
 AR         1.3002208328        3.2734645588        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5726145816        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 115
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3244516958        5.5383208303        2.5466527341
  H         2.0674506641        6.1879511595        3.1959503536
  H         2.0852477047        5.8873492912        1.6405842213
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0495700221        3.1953380881        0.2601321811
  H         0.9981350320        3.5542864561        1.1920712944
  H         1.4369101408        3.8722868668       -0.3657332591
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.0604190455
  H         3.2025373410        4.8929873361       11.2836906799
  H         3.9285134507        6.2608272454       11.8477503296
 AR         1.3002208328        3.2734645588        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5726145816        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 116
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3244516958        5.5383208303        2.5466527341
  H         2.0674506641        6.1879511595        3.1959503536
  H         2.0852477047        5.8873492912        1.6405842213
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0494674809        3.1960536900        0.2619901013
  H         0.9998651494        3.5422125196        1.1607236838
  H         1.4368075996        3.8730024688       -0.3638753389
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.0604190455
  H         3.2025373410        4.8929873361       11.2836906799
  H         3.9285134507        6.2608272454       11.8477503296
 AR         1.3002208328        3.2734645588        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5726145816        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 117
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3244516958        5.5383208303        2.5466527341
  H         2.0674506641        6.1879511595        3.1959503536
  H         2.0852477047        5.8873492912        1.6405842213
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0494674809        3.1960536900        0.2619901013
  H         0.9998651494        3.5422125196        1.1607236838
  H         1.4368075996        3.8730024688       -0.3638753389
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.0604190455
  H         3.2025373410        4.8929873361       11.2836906799
  H         3.9285134507        6.2608272454       11.8477503296
 AR         1.3002208328        3.2734645588        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5726145816        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 118
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3244516958        5.5383208303        2.5466527341
  H         2.0674506641        6.1879511595        3.1959503536
  H         2.0852477047        5.8873492912        1.6405842213
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0494674809        3.1960536900        0.2619901013
  H         0.9998651494        3.5422125196        1.1607236838
  H         1.4368075996        3.8730024688       -0.3638753389
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.0604190455
  H         3.2025373410        4.8929873361       11.2836906799
  H         3.9285134507        6.2608272454       11.8477503296
 AR         1.3002208328        3.2734645588        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5726145816        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 119
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3274312588        5.5383208303        2.5379499394
  H         2.2705386971        6.1879511595        3.2339385638
  H         1.8348667940        5.8873492912        1.7407304293
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0494674809        3.1960536900        0.2619901013
  H         0.9998651494        3.5422125196        1.1607236838
  H         1.4368075996        3.8730024688       -0.3638753389
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.0604190455
  H         3.2025373410        4.8929873361       11.2836906799
  H         3.9285134507        6.2608272454       11.8477503296
 AR         1.3002208328        3.2734645588        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5726145816        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 120
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3274312588        5.5383208303        2.5379499394
  H         2.2705386971        6.1879511595        3.2339385638
  H         1.8348667940        5.8873492912        1.7407304293
  O        10.2609258017        5.1001398468       11.3448919085
  H        10.3762215065        4.3245062224       11.9654556692
  H         9.4481318668        4.8257641119       10.8560564755
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0494674809        3.1960536900        0.2619901013
  H         0.9998651494        3.5422125196        1.1607236838
  H         1.4368075996        3.8730024688       -0.3638753389
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.0604190455
  H         3.2025373410        4.8929873361       11.2836906799
  H         3.9285134507        6.2608272454       11.8477503296
 AR         1.3002208328        3.2734645588        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 121
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3274312588        5.5383208303        2.5379499394
  H         2.2705386971        6.1879511595        3.2339385638
  H         1.8348667940        5.8873492912        1.7407304293
  O        10.2609258017        5.0991511080       11.3652825157
  H        10.3762215065        4.1588644776       11.6855448347
  H         9.4481318668        5.0070995345       10.8123190157
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0494674809        3.1960536900        0.2619901013
  H         0.9998651494        3.5422125196        1.1607236838
  H         1.4368075996        3.8730024688       -0.3638753389
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.0604190455
  H         3.2025373410        4.8929873361       11.2836906799
  H         3.9285134507        6.2608272454       11.8477503296
 AR         1.3002208328        3.2734645588        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 122
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3274312588        5.5383208303        2.5379499394
  H         2.2705386971        6.1879511595        3.2339385638
  H         1.8348667940        5.8873492912        1.7407304293
  O        10.2609258017        5.0991511080       11.2357365063
  H        10.3762215065        4.1588644776       11.5559988254
  H         9.4481318668        5.0070995345       10.6827730064
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0494674809        3.1960536900        0.2619901013
  H         0.9998651494        3.5422125196        1.1607236838
  H         1.4368075996        3.8730024688       -0.3638753389
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.0604190455
  H         3.2025373410        4.8929873361       11.2836906799
  H         3.9285134507        6.2608272454       11.8477503296
 AR         1.3002208328        3.2734645588        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 123
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3274312588        5.5383208303        2.5379499394
  H         2.2705386971        6.1879511595        3.2339385638
  H         1.8348667940        5.8873492912        1.7407304293
  O        10.2609258017        5.0991511080       11.2357365063
  H        10.3762215065        4.1588644776       11.5559988254
  H         9.4481318668        5.0070995345       10.6827730064
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0494674809        3.1960536900        0.2619901013
  H         0.9998651494        3.5422125196        1.1607236838
  H         1.4368075996        3.8730024688       -0.3638753389
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.0604190455
  H         3.2025373410        4.8929873361       11.2836906799
  H         3.9285134507        6.2608272454       11.8477503296
 AR         1.3002208328        3.2734645588        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 124
  O        11.6702675055        7.4395498956       -0.0437777047
  H        11.0965472088        7.6192848050        0.7553095143
  H        10.9962894332        7.1152199416       -0.7075270586
  O         2.3274312588        5.5383208303        2.5379499394
  H         2.2705386971        6.1879511595        3.2339385638
  H         1.8348667940        5.8873492912        1.7407304293
  O        10.2609258017        5.0986626472       11.2377401468
  H        10.3762215065        4.1477932692       11.5250628336
  H         9.4481318668        5.0259237979       10.6819063729
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0494674809        3.1960536900        0.2619901013
  H         0.9998651494        3.5422125196        1.1607236838
  H         1.4368075996        3.8730024688       -0.3638753389
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.0604190455
  H         3.2025373410        4.8929873361       11.2836906799
  H         3.9285134507        6.2608272454       11.8477503296
 AR         1.3002208328        3.2734645588        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 125
  O        11.6694032644        7.4391340078       -0.0446288295
  H        11.0956829678        7.6188689172        0.7544583895
  H        11.0108712716        7.1222369756       -0.6931665234
  O         2.3274312588        5.5383208303        2.5379499394
  H         2.2705386971        6.1879511595        3.2339385638
  H         1.8348667940        5.8873492912        1.7407304293
  O        10.2609258017        5.0986626472       11.2377401468
  H        10.3762215065        4.1477932692       11.5250628336
  H         9.4481318668        5.0259237979       10.6819063729
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0494674809        3.1960536900        0.2619901013
  H         0.9998651494        3.5422125196        1.1607236838
  H         1.4368075996        3.8730024688       -0.3638753389
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.0604190455
  H         3.2025373410        4.8929873361       11.2836906799
  H         3.9285134507        6.2608272454       11.8477503296
 AR         1.3002208328        3.2734645588        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 126
  O        11.6694032644        7.4391340078       -0.0446288295
  H        11.0956829678        7.6188689172        0.7544583895
  H        11.0108712716        7.1222369756       -0.6931665234
  O         2.3274312588        5.5383208303        2.5379499394
  H         2.2705386971        6.1879511595        3.2339385638
  H         1.8348667940        5.8873492912        1.7407304293
  O        10.2527857702        5.0986626472       11.2509087108
  H        10.2556511658        4.1477932692       11.5604878047
  H         9.6979042116        5.0259237979       10.4374644159
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0494674809        3.1960536900        0.2619901013
  H         0.9998651494        3.5422125196        1.1607236838
  H         1.4368075996        3.8730024688       -0.3638753389
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.0604190455
  H         3.2025373410        4.8929873361       11.2836906799
  H         3.9285134507        6.2608272454       11.8477503296
 AR         1.3002208328        3.2734645588        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 127
  O        11.6694032644        7.4391340078       -0.0446288295
  H        11.0956829678        7.6188689172        0.7544583895
  H        11.0108712716        7.1222369756       -0.6931665234
  O         2.3274312588        5.5383208303        2.5379499394
  H         2.2705386971        6.1879511595        3.2339385638
  H         1.8348667940        5.8873492912        1.7407304293
  O        10.2527857702        5.0986626472       11.2509087108
  H        10.2556511658        4.1477932692       11.5604878047
  H         9.6979042116        5.0259237979       10.4374644159
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0494674809        3.1960536900        0.2619901013
  H         0.9998651494        3.5422125196        1.1607236838
  H         1.4368075996        3.8730024688       -0.3638753389
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.0604190455
  H         3.2025373410        4.8929873361       11.2836906799
  H         3.9285134507        6.2608272454       11.8477503296
 AR         1.3002208328        3.2734645588        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 128
  O        11.6694032644        7.4391340078       -0.0446288295
  H        11.0956829678        7.6188689172        0.7544583895
  H        11.0108712716        7.1222369756       -0.6931665234
  O         2.3274312588        5.5383208303        2.5379499394
  H         2.2705386971        6.1879511595        3.2339385638
  H         1.8348667940        5.8873492912        1.7407304293
  O        10.2527857702        5.0986626472       11.2509087108
  H        10.2556511658        4.1477932692       11.5604878047
  H         9.6979042116        5.0259237979       10.4374644159
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0494674809        3.1960536900        0.2619901013
  H         0.9998651494        3.5422125196        1.1607236838
  H         1.4368075996        3.8730024688       -0.3638753389
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.0604190455
  H         3.2025373410        4.8929873361       11.2836906799
  H         3.9285134507        6.2608272454       11.8477503296
 AR         1.3002208328        3.2734645588        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 129
  O        11.6694032644        7.4391340078       -0.0446288295
  H        11.0956829678        7.6188689172        0.7544583895
  H        11.0108712716        7.1222369756       -0.6931665234
  O         2.3274312588        5.5383208303        2.5379499394
  H         2.2705386971        6.1879511595        3.2339385638
  H         1.8348667940        5.8873492912        1.7407304293
  O        10.2527857702        5.0986626472       11.2509087108
  H        10.2556511658        4.1477932692       11.5604878047
  H         9.6979042116        5.0259237979       10.4374644159
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0494674809        3.1960536900        0.2619901013
  H         0.9998651494        3.5422125196        1.1607236838
  H         1.4368075996        3.8730024688       -0.3638753389
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.0604190455
  H         3.2025373410        4.8929873361       11.2836906799
  H         3.9285134507        6.2608272454       11.8477503296
 AR         1.3002208328        3.2734645588        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 130
  O        11.6694032644        7.4391340078       -0.0446288295
  H        11.1599109887        7.6411193553        0.7918037980
  H        11.0677362934        7.1143592942       -0.7426313340
  O         2.3274312588        5.5383208303        2.5379499394
  H         2.2705386971        6.1879511595        3.2339385638
  H         1.8348667940        5.8873492912        1.7407304293
  O        10.2527857702        5.0986626472       11.2509087108
  H        10.2556511658        4.1477932692       11.5604878047
  H         9.6979042116        5.0259237979       10.4374644159
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0494674809        3.1960536900        0.2619901013
  H         0.9998651494        3.5422125196        1.1607236838
  H         1.4368075996        3.8730024688       -0.3638753389
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.0604190455
  H         3.2025373410        4.8929873361       11.2836906799
  H         3.9285134507        6.2608272454       11.8477503296
 AR         1.3002208328        3.2734645588        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 131
  O        11.6694032644        7.4391340078       -0.0446288295
  H        11.1599109887        7.6411193553        0.7918037980
  H        11.0677362934        7.1143592942       -0.7426313340
  O         2.3274312588        5.5383208303        2.5379499394
  H         2.2705386971        6.1879511595        3.2339385638
  H         1.8348667940        5.8873492912        1.7407304293
  O        10.2527857702        5.0986626472       11.2509087108
  H        10.2556511658        4.1477932692       11.5604878047
  H         9.6979042116        5.0259237979       10.4374644159
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0494674809        3.1960536900        0.2619901013
  H         0.9998651494        3.5422125196        1.1607236838
  H         1.4368075996        3.8730024688       -0.3638753389
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.0604190455
  H         3.2025373410        4.8929873361       11.2836906799
  H         3.9285134507        6.2608272454       11.8477503296
 AR         1.3002208328        3.2734645588        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 132
  O        11.6694032644        7.4391340078       -0.0446288295
  H        11.1599109887        7.6411193553        0.7918037980
  H        11.0677362934        7.1143592942       -0.7426313340
  O         2.3274312588        5.5383208303        2.5379499394
  H         2.2705386971        6.1879511595        3.2339385638
  H         1.8348667940        5.8873492912        1.7407304293
  O        10.2527857702        5.0986626472       11.2509087108
  H        10.2556511658        4.1477932692       11.5604878047
  H         9.6979042116        5.0259237979       10.4374644159
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0494674809        3.4944819864        0.2619901013
  H         0.9998651494        3.8406408159        1.1607236838
  H         1.4368075996        4.1714307651       -0.3638753389
  O        11.6107723797        7.9071005009        6.8449258395
  H        11.1630684516        8.3299498216        6.1348058841
  H        12.4868020405        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.0604190455
  H         3.2025373410        4.8929873361       11.2836906799
  H         3.9285134507        6.2608272454       11.8477503296
 AR         1.3002208328        3.2734645588        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 133
  O        11.6694032644        7.4391340078       -0.0446288295
  H        11.1599109887        7.6411193553        0.7918037980
  H        11.0677362934        7.1143592942       -0.7426313340
  O         2.3274312588        5.5383208303        2.5379499394
  H         2.2705386971        6.1879511595        3.2339385638
  H         1.8348667940        5.8873492912        1.7407304293
  O        10.2527857702        5.0986626472       11.2509087108
  H        10.2556511658        4.1477932692       11.5604878047
  H         9.6979042116        5.0259237979       10.4374644159
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0494674809        3.4944819864        0.2619901013
  H         0.9998651494        3.8406408159        1.1607236838
  H         1.4368075996        4.1714307651       -0.3638753389
  O        11.1296523565        7.9071005009        6.8449258395
  H        10.6819484284        8.3299498216        6.1348058841
  H        12.0056820173        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.0604190455
  H         3.2025373410        4.8929873361       11.2836906799
  H         3.9285134507        6.2608272454       11.8477503296
 AR         1.3002208328        3.2734645588        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 134
  O        11.6694032644        7.4391340078       -0.0446288295
  H        11.1599109887        7.6411193553        0.7918037980
  H        11.0677362934        7.1143592942       -0.7426313340
  O         2.3274312588        5.5383208303        2.5379499394
  H         2.2705386971        6.1879511595        3.2339385638
  H         1.8348667940        5.8873492912        1.7407304293
  O        10.2527857702        5.0986626472       11.2509087108
  H        10.2556511658        4.1477932692       11.5604878047
  H         9.6979042116        5.0259237979       10.4374644159
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0493934490        3.4949986315        0.2633314691
  H         1.0011142471        3.8319237621        1.1380915614
  H         1.4367335677        4.1719474102       -0.3625339711
  O        11.1296523565        7.9071005009        6.8449258395
  H        10.6819484284        8.3299498216        6.1348058841
  H        12.0056820173        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.0604190455
  H         3.2025373410        4.8929873361       11.2836906799
  H         3.9285134507        6.2608272454       11.8477503296
 AR         1.3002208328        3.2734645588        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.4351784973        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 135
  O        11.6694032644        7.4391340078       -0.0446288295
  H        11.1599109887        7.6411193553        0.7918037980
  H        11.0677362934        7.1143592942       -0.7426313340
  O         2.3274312588        5.5383208303        2.5379499394
  H         2.2705386971        6.1879511595        3.2339385638
  H         1.8348667940        5.8873492912        1.7407304293
  O        10.2527857702        5.0986626472       11.2509087108
  H        10.2556511658        4.1477932692       11.5604878047
  H         9.6979042116        5.0259237979       10.4374644159
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0493934490        3.4949986315        0.2633314691
  H         1.0011142471        3.8319237621        1.1380915614
  H         1.4367335677        4.1719474102       -0.3625339711
  O        11.1296523565        7.9071005009        6.8449258395
  H        10.6819484284        8.3299498216        6.1348058841
  H        12.0056820173        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.0604190455
  H         3.2025373410        4.8929873361       11.2836906799
  H         3.9285134507        6.2608272454       11.8477503296
 AR         1.3002208328        3.2734645588        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.0493441819        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 136
  O        11.6694032644        7.4391340078       -0.0446288295
  H        11.1599109887        7.6411193553        0.7918037980
  H        11.0677362934        7.1143592942       -0.7426313340
  O         2.3274312588        5.5383208303        2.5379499394
  H         2.2705386971        6.1879511595        3.2339385638
  H         1.8348667940        5.8873492912        1.7407304293
  O        10.2527857702        5.0986626472       11.2509087108
  H        10.2556511658        4.1477932692       11.5604878047
  H         9.6979042116        5.0259237979       10.4374644159
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0493934490        3.4949986315        0.2633314691
  H         1.0011142471        3.8319237621        1.1380915614
  H         1.4367335677        4.1719474102       -0.3625339711
  O        11.1296523565        7.9071005009        6.8449258395
  H        10.6819484284        8.3299498216        6.1348058841
  H        12.0056820173        8.3843740911        6.9140743699
  O         3.2962814337        5.5158076082       12.0604190455
  H         3.2025373410        4.8929873361       11.2836906799
  H         3.9285134507        6.2608272454       11.8477503296
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.0493441819        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 137
  O        11.6694032644        7.4391340078       -0.0446288295
  H        11.1599109887        7.6411193553        0.7918037980
  H        11.0677362934        7.1143592942       -0.7426313340
  O         2.3274312588        5.5383208303        2.5379499394
  H         2.2705386971        6.1879511595        3.2339385638
  H         1.8348667940        5.8873492912        1.7407304293
  O        10.2527857702        5.0986626472       11.2509087108
  H        10.2556511658        4.1477932692       11.5604878047
  H         9.6979042116        5.0259237979       10.4374644159
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0493934490        3.4949986315        0.2633314691
  H         1.0011142471        3.8319237621        1.1380915614
  H         1.4367335677        4.1719474102       -0.3625339711
  O        11.1296523565        7.9071005009        6.8449258395
  H        10.6819484284        8.3299498216        6.1348058841
  H        12.0056820173        8.3843740911        6.9140743699
  O         3.2962814337        5.5367623208       12.0590236117
  H         3.2025373410        4.6708741260       11.5676483181
  H         3.9285134507        6.1503384418       11.5859416036
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.0493441819        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 138
  O        11.6694032644        7.4391340078       -0.0446288295
  H        11.1599109887        7.6411193553        0.7918037980
  H        11.0677362934        7.1143592942       -0.7426313340
  O         2.3274312588        5.5383208303        2.5379499394
  H         2.2705386971        6.1879511595        3.2339385638
  H         1.8348667940        5.8873492912        1.7407304293
  O        10.2527857702        5.0986626472       11.2509087108
  H        10.2556511658        4.1477932692       11.5604878047
  H         9.6979042116        5.0259237979       10.4374644159
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0493934490        3.4949986315        0.2633314691
  H         1.0011142471        3.8319237621        1.1380915614
  H         1.4367335677        4.1719474102       -0.3625339711
  O        11.1296523565        7.9071005009        6.8449258395
  H        10.6819484284        8.3299498216        6.1348058841
  H        12.0056820173        8.3843740911        6.9140743699
  O         3.2962814337        5.5367623208       12.0590236117
  H         3.2025373410        4.6708741260       11.5676483181
  H         3.9285134507        6.1503384418       11.5859416036
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.0493441819        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 139
  O        11.6694032644        7.4391340078       -0.0446288295
  H        11.1599109887        7.6411193553        0.7918037980
  H        11.0677362934        7.1143592942       -0.7426313340
  O         2.3274312588        6.0253422241        2.5379499394
  H         2.2705386971        6.6749725533        3.2339385638
  H         1.8348667940        6.3743706851        1.7407304293
  O        10.2527857702        5.0986626472       11.2509087108
  H        10.2556511658        4.1477932692       11.5604878047
  H         9.6979042116        5.0259237979       10.4374644159
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0493934490        3.4949986315        0.2633314691
  H         1.0011142471        3.8319237621        1.1380915614
  H         1.4367335677        4.1719474102       -0.3625339711
  O        11.1296523565        7.9071005009        6.8449258395
  H        10.6819484284        8.3299498216        6.1348058841
  H        12.0056820173        8.3843740911        6.9140743699
  O         3.2962814337        5.5367623208       12.0590236117
  H         3.2025373410        4.6708741260       11.5676483181
  H         3.9285134507        6.1503384418       11.5859416036
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.0493441819        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 140
  O        11.6694032644        7.4391340078       -0.0446288295
  H        11.1599109887        7.6411193553        0.7918037980
  H        11.0677362934        7.1143592942       -0.7426313340
  O         2.3274312588        6.0253422241        2.2963337083
  H         2.2705386971        6.6749725533        2.9923223328
  H         1.8348667940        6.3743706851        1.4991141982
  O        10.2527857702        5.0986626472       11.2509087108
  H        10.2556511658        4.1477932692       11.5604878047
  H         9.6979042116        5.0259237979       10.4374644159
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0493934490        3.4949986315        0.2633314691
  H         1.0011142471        3.8319237621        1.1380915614
  H         1.4367335677        4.1719474102       -0.3625339711
  O        11.1296523565        7.9071005009        6.8449258395
  H        10.6819484284        8.3299498216        6.1348058841
  H        12.0056820173        8.3843740911        6.9140743699
  O         3.2962814337        5.5367623208       12.0590236117
  H         3.2025373410        4.6708741260       11.5676483181
  H         3.9285134507        6.1503384418       11.5859416036
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.0493441819        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 141
  O        11.6694032644        7.4378061954       -0.0456283151
  H        11.1599109887        7.7710211687        0.7477098237
  H        11.0677362934        7.0055330776       -0.6826731036
  O         2.3274312588        6.0253422241        2.2963337083
  H         2.2705386971        6.6749725533        2.9923223328
  H         1.8348667940        6.3743706851        1.4991141982
  O        10.2527857702        5.0986626472       11.2509087108
  H        10.2556511658        4.1477932692       11.5604878047
  H         9.6979042116        5.0259237979       10.4374644159
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0493934490        3.4949986315        0.2633314691
  H         1.0011142471        3.8319237621        1.1380915614
  H         1.4367335677        4.1719474102       -0.3625339711
  O        11.1296523565        7.9071005009        6.8449258395
  H        10.6819484284        8.3299498216        6.1348058841
  H        12.0056820173        8.3843740911        6.9140743699
  O         3.2962814337        5.5367623208       12.0590236117
  H         3.2025373410        4.6708741260       11.5676483181
  H         3.9285134507        6.1503384418       11.5859416036
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.0493441819        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 142
  O        11.6694032644        7.4378061954       -0.0456283151
  H        11.1599109887        7.7710211687        0.7477098237
  H        11.0677362934        7.0055330776       -0.6826731036
  O         2.3274312588        6.0253422241        2.2963337083
  H         2.2705386971        6.6749725533        2.9923223328
  H         1.8348667940        6.3743706851        1.4991141982
  O        10.2527857702        5.0986626472       11.2509087108
  H        10.2556511658        4.1477932692       11.5604878047
  H         9.6979042116        5.0259237979       10.4374644159
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0493934490        3.4949986315        0.3730565518
  H         1.0011142471        3.8319237621        1.2478166441
  H         1.4367335677        4.1719474102       -0.2528088883
  O        11.1296523565        7.9071005009        6.8449258395
  H        10.6819484284        8.3299498216        6.1348058841
  H        12.0056820173        8.3843740911        6.9140743699
  O         3.2962814337        5.5367623208       12.0590236117
  H         3.2025373410        4.6708741260       11.5676483181
  H         3.9285134507        6.1503384418       11.5859416036
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.3446365455        8.8784645740
 AR        11.4300000000        3.0493441819        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 143
  O        11.6694032644        7.4378061954       -0.0456283151
  H        11.1599109887        7.7710211687        0.7477098237
  H        11.0677362934        7.0055330776       -0.6826731036
  O         2.3274312588        6.0253422241        2.2963337083
  H         2.2705386971        6.6749725533        2.9923223328
  H         1.8348667940        6.3743706851        1.4991141982
  O        10.2527857702        5.0986626472       11.2509087108
  H        10.2556511658        4.1477932692       11.5604878047
  H         9.6979042116        5.0259237979       10.4374644159
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0493934490        3.4949986315        0.3730565518
  H         1.0011142471        3.8319237621        1.2478166441
  H         1.4367335677        4.1719474102       -0.2528088883
  O        11.1296523565        7.9071005009        6.8449258395
  H        10.6819484284        8.3299498216        6.1348058841
  H        12.0056820173        8.3843740911        6.9140743699
  O         3.2962814337        5.5367623208       12.0590236117
  H         3.2025373410        4.6708741260       11.5676483181
  H         3.9285134507        6.1503384418       11.5859416036
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433        9.9606785456        8.8784645740
 AR        11.4300000000        3.0493441819        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 144
  O        11.6694032644        7.4378061954       -0.0456283151
  H        11.1599109887        7.7710211687        0.7477098237
  H        11.0677362934        7.0055330776       -0.6826731036
  O         2.3274312588        6.0253422241        2.2963337083
  H         2.2705386971        6.6749725533        2.9923223328
  H         1.8348667940        6.3743706851        1.4991141982
  O        10.2527857702        5.0986626472       11.2509087108
  H        10.2556511658        4.1477932692       11.5604878047
  H         9.6979042116        5.0259237979       10.4374644159
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0493934490        3.4949986315        0.3730565518
  H         1.0011142471        3.8319237621        1.2478166441
  H         1.4367335677        4.1719474102       -0.2528088883
  O        11.1296523565        7.9071005009        6.8449258395
  H        10.6819484284        8.3299498216        6.1348058841
  H        12.0056820173        8.3843740911        6.9140743699
  O         3.2962814337        5.5367623208       12.0590236117
  H         3.2025373410        4.6708741260       11.5676483181
  H         3.9285134507        6.1503384418       11.5859416036
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433        9.9606785456        8.8784645740
 AR        11.4300000000        3.0493441819        6.2400000000
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 145
  O        11.6694032644        7.4378061954       -0.0456283151
  H        11.1599109887        7.7710211687        0.7477098237
  H        11.0677362934        7.0055330776       -0.6826731036
  O         2.3274312588        6.0253422241        2.2963337083
  H         2.2705386971        6.6749725533        2.9923223328
  H         1.8348667940        6.3743706851        1.4991141982
  O        10.2527857702        5.0986626472       11.2509087108
  H        10.2556511658        4.1477932692       11.5604878047
  H         9.6979042116        5.0259237979       10.4374644159
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0493934490        3.4949986315        0.3730565518
  H         1.0011142471        3.8319237621        1.2478166441
  H         1.4367335677        4.1719474102       -0.2528088883
  O        11.1296523565        7.9071005009        6.8449258395
  H        10.6819484284        8.3299498216        6.1348058841
  H        12.0056820173        8.3843740911        6.9140743699
  O         3.2962814337        5.5367623208       12.0590236117
  H         3.2025373410        4.6708741260       11.5676483181
  H         3.9285134507        6.1503384418       11.5859416036
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433        9.9606785456        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 146
  O        11.6694032644        7.4378061954       -0.0456283151
  H        11.1378499152        7.7617983204        0.7369827887
  H        11.0481028438        7.0105475472       -0.6670179593
  O         2.3274312588        6.0253422241        2.2963337083
  H         2.2705386971        6.6749725533        2.9923223328
  H         1.8348667940        6.3743706851        1.4991141982
  O        10.2527857702        5.0986626472       11.2509087108
  H        10.2556511658        4.1477932692       11.5604878047
  H         9.6979042116        5.0259237979       10.4374644159
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0493934490        3.4949986315        0.3730565518
  H         1.0011142471        3.8319237621        1.2478166441
  H         1.4367335677        4.1719474102       -0.2528088883
  O        11.1296523565        7.9071005009        6.8449258395
  H        10.6819484284        8.3299498216        6.1348058841
  H        12.0056820173        8.3843740911        6.9140743699
  O         3.2962814337        5.5367623208       12.0590236117
  H         3.2025373410        4.6708741260       11.5676483181
  H         3.9285134507        6.1503384418       11.5859416036
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433        9.9606785456        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.5400000000        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 147
  O        11.6694032644        7.4378061954       -0.0456283151
  H        11.1378499152        7.7617983204        0.7369827887
  H        11.0481028438        7.0105475472       -0.6670179593
  O         2.3274312588        6.0253422241        2.2963337083
  H         2.2705386971        6.6749725533        2.9923223328
  H         1.8348667940        6.3743706851        1.4991141982
  O        10.2527857702        5.0986626472       11.2509087108
  H        10.2556511658        4.1477932692       11.5604878047
  H         9.6979042116        5.0259237979       10.4374644159
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0493934490        3.4949986315        0.3730565518
  H         1.0011142471        3.8319237621        1.2478166441
  H         1.4367335677        4.1719474102       -0.2528088883
  O        11.1296523565        7.9071005009        6.8449258395
  H        10.6819484284        8.3299498216        6.1348058841
  H        12.0056820173        8.3843740911        6.9140743699
  O         3.2962814337        5.5367623208       12.0590236117
  H         3.2025373410        4.6708741260       11.5676483181
  H         3.9285134507        6.1503384418       11.5859416036
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433        9.9606785456        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 148
  O        11.6680896278        7.4378061954       -0.0208241468
  H        10.8822085101        7.7617983204        0.5058825761
  H        11.3245948425        7.0105475472       -0.8296199399
  O         2.3274312588        6.0253422241        2.2963337083
  H         2.2705386971        6.6749725533        2.9923223328
  H         1.8348667940        6.3743706851        1.4991141982
  O        10.2527857702        5.0986626472       11.2509087108
  H        10.2556511658        4.1477932692       11.5604878047
  H         9.6979042116        5.0259237979       10.4374644159
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0493934490        3.4949986315        0.3730565518
  H         1.0011142471        3.8319237621        1.2478166441
  H         1.4367335677        4.1719474102       -0.2528088883
  O        11.1296523565        7.9071005009        6.8449258395
  H        10.6819484284        8.3299498216        6.1348058841
  H        12.0056820173        8.3843740911        6.9140743699
  O         3.2962814337        5.5367623208       12.0590236117
  H         3.2025373410        4.6708741260       11.5676483181
  H         3.9285134507        6.1503384418       11.5859416036
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433        9.9606785456        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 149
  O        11.6680896278        7.4378061954       -0.0208241468
  H        10.8822085101        7.7617983204        0.5058825761
  H        11.3245948425        7.0105475472       -0.8296199399
  O         2.3274312588        6.0253422241        2.2963337083
  H         2.2705386971        6.6749725533        2.9923223328
  H         1.8348667940        6.3743706851        1.4991141982
  O        10.2527857702        5.0986626472       11.2509087108
  H        10.2556511658        4.1477932692       11.5604878047
  H         9.6979042116        5.0259237979       10.4374644159
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0493934490        3.4949986315        0.3730565518
  H         1.0011142471        3.8319237621        1.2478166441
  H         1.4367335677        4.1719474102       -0.2528088883
  O        11.1296523565        7.9071005009        6.8449258395
  H        10.6819484284        8.3299498216        6.1348058841
  H        12.0056820173        8.3843740911        6.9140743699
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433        9.9606785456        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 150
  O        11.6680896278        7.4378061954       -0.0208241468
  H        10.8822085101        7.7617983204        0.5058825761
  H        11.3245948425        7.0105475472       -0.8296199399
  O         2.3273131364        6.0266910103        2.2977787453
  H         2.2725317081        6.6522152653        2.9679410610
  H         1.8347486716        6.3757194713        1.5005592352
  O        10.2527857702        5.0986626472       11.2509087108
  H        10.2556511658        4.1477932692       11.5604878047
  H         9.6979042116        5.0259237979       10.4374644159
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0493934490        3.4949986315        0.3730565518
  H         1.0011142471        3.8319237621        1.2478166441
  H         1.4367335677        4.1719474102       -0.2528088883
  O        11.1296523565        7.9071005009        6.8449258395
  H        10.6819484284        8.3299498216        6.1348058841
  H        12.0056820173        8.3843740911        6.9140743699
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433        9.9606785456        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 151
  O        11.6680896278        7.4378061954       -0.0208241468
  H        10.8822085101        7.7617983204        0.5058825761
  H        11.3245948425        7.0105475472       -0.8296199399
  O         2.3273131364        6.0266910103        2.2977787453
  H         2.2725317081        6.6522152653        2.9679410610
  H         1.8347486716        6.3757194713        1.5005592352
  O        10.2527857702        5.0888948291       11.2653574741
  H        10.2556511658        4.0897263836       11.3060294161
  H         9.6979042116        5.2390296010       10.4625859553
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0493934490        3.4949986315        0.3730565518
  H         1.0011142471        3.8319237621        1.2478166441
  H         1.4367335677        4.1719474102       -0.2528088883
  O        11.1296523565        7.9071005009        6.8449258395
  H        10.6819484284        8.3299498216        6.1348058841
  H        12.0056820173        8.3843740911        6.9140743699
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433        9.9606785456        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 152
  O        11.6680896278        7.4378061954       -0.0208241468
  H        10.8822085101        7.7617983204        0.5058825761
  H        11.3245948425        7.0105475472       -0.8296199399
  O         2.3273131364        6.0266910103        2.2977787453
  H         2.2725317081        6.6522152653        2.9679410610
  H         1.8347486716        6.3757194713        1.5005592352
  O        10.2527857702        5.0888948291       11.2653574741
  H        10.2556511658        4.0897263836       11.3060294161
  H         9.6979042116        5.2390296010       10.4625859553
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0493934490        3.4949986315        0.3730565518
  H         1.0011142471        3.8319237621        1.2478166441
  H         1.4367335677        4.1719474102       -0.2528088883
  O        11.1281704895        7.9078327752        6.8449258395
  H        10.6931931262        8.3437628712        6.1348058841
  H        12.0179581351        8.3589380760        6.9140743699
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433        9.9606785456        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 153
  O        11.7065200610        7.4378061954       -0.0208241468
  H        10.9206389434        7.7617983204        0.5058825761
  H        11.3630252757        7.0105475472       -0.8296199399
  O         2.3273131364        6.0266910103        2.2977787453
  H         2.2725317081        6.6522152653        2.9679410610
  H         1.8347486716        6.3757194713        1.5005592352
  O        10.2527857702        5.0888948291       11.2653574741
  H        10.2556511658        4.0897263836       11.3060294161
  H         9.6979042116        5.2390296010       10.4625859553
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0493934490        3.4949986315        0.3730565518
  H         1.0011142471        3.8319237621        1.2478166441
  H         1.4367335677        4.1719474102       -0.2528088883
  O        11.1281704895        7.9078327752        6.8449258395
  H        10.6931931262        8.3437628712        6.1348058841
  H        12.0179581351        8.3589380760        6.9140743699
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433        9.9606785456        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 154
  O        11.7065135076        7.4378088972       -0.0208197546
  H        10.9207495157        7.7617527352        0.5058084692
  H        11.3630187223        7.0105502489       -0.8296155477
  O         2.3273131364        6.0266910103        2.2977787453
  H         2.2725317081        6.6522152653        2.9679410610
  H         1.8347486716        6.3757194713        1.5005592352
  O        10.2527857702        5.0888948291       11.2653574741
  H        10.2556511658        4.0897263836       11.3060294161
  H         9.6979042116        5.2390296010       10.4625859553
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0493934490        3.4949986315        0.3730565518
  H         1.0011142471        3.8319237621        1.2478166441
  H         1.4367335677        4.1719474102       -0.2528088883
  O        11.1281704895        7.9078327752        6.8449258395
  H        10.6931931262        8.3437628712        6.1348058841
  H        12.0179581351        8.3589380760        6.9140743699
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433        9.9606785456        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 155
  O        11.7065135076        7.4378088972       -0.0208197546
  H        10.9207495157        7.7617527352        0.5058084692
  H        11.3630187223        7.0105502489       -0.8296155477
  O         2.3273131364        6.0266910103        2.2977787453
  H         2.2725317081        6.6522152653        2.9679410610
  H         1.8347486716        6.3757194713        1.5005592352
  O        10.2409961070        5.0947378228       11.2653574741
  H        10.4742384390        4.1231701166       11.3060294161
  H         9.6664474309        5.1128434151       10.4625859553
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0493934490        3.4949986315        0.3730565518
  H         1.0011142471        3.8319237621        1.2478166441
  H         1.4367335677        4.1719474102       -0.2528088883
  O        11.1281704895        7.9078327752        6.8449258395
  H        10.6931931262        8.3437628712        6.1348058841
  H        12.0179581351        8.3589380760        6.9140743699
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433        9.9606785456        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 156
  O        11.7065135076        7.4378088972       -0.0208197546
  H        10.9207495157        7.7617527352        0.5058084692
  H        11.3630187223        7.0105502489       -0.8296155477
  O         2.3273131364        6.0266910103        2.2977787453
  H         2.2725317081        6.6522152653        2.9679410610
  H         1.8347486716        6.3757194713        1.5005592352
  O        10.2409961070        5.0947378228       11.2653574741
  H        10.4742384390        4.1231701166       11.3060294161
  H         9.6664474309        5.1128434151       10.4625859553
  O         5.5597597308       12.7373752226        7.5919502529
  H         6.0374137860       12.8321431705        8.4154152608
  H         6.1861686227       13.0324306678        6.9147144326
  O         1.0493934490        3.4949986315        0.3730565518
  H         1.0011142471        3.8319237621        1.2478166441
  H         1.4367335677        4.1719474102       -0.2528088883
  O        11.1281704895        7.9078327752        6.8449258395
  H        10.6931931262        8.3437628712        6.1348058841
  H        12.0179581351        8.3589380760        6.9140743699
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433        9.9606785456        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 157
  O        11.7065135076        7.4378088972       -0.0208197546
  H        10.9207495157        7.7617527352        0.5058084692
  H        11.3630187223        7.0105502489       -0.8296155477
  O         2.3273131364        6.0266910103        2.2977787453
  H         2.2725317081        6.6522152653        2.9679410610
  H         1.8347486716        6.3757194713        1.5005592352
  O        10.2409961070        5.0947378228       11.2653574741
  H        10.4742384390        4.1231701166       11.3060294161
  H         9.6664474309        5.1128434151       10.4625859553
  O         5.1087027342       12.7373752226        7.5919502529
  H         5.5863567895       12.8321431705        8.4154152608
  H         5.7351116262       13.0324306678        6.9147144326
  O         1.0493934490        3.4949986315        0.3730565518
  H         1.0011142471        3.8319237621        1.2478166441
  H         1.4367335677        4.1719474102       -0.2528088883
  O        11.1281704895        7.9078327752        6.8449258395
  H        10.6931931262        8.3437628712        6.1348058841
  H        12.0179581351        8.3589380760        6.9140743699
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433        9.9606785456        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 158
  O        11.7065135076        7.4378088972       -0.0208197546
  H        10.9207495157        7.7617527352        0.5058084692
  H        11.3630187223        7.0105502489       -0.8296155477
  O         2.3273131364        6.0266910103        2.2977787453
  H         2.2725317081        6.6522152653        2.9679410610
  H         1.8347486716        6.3757194713        1.5005592352
  O        10.2409961070        5.0947378228       11.2653574741
  H        10.4742384390        4.1231701166       11.3060294161
  H         9.6664474309        5.1128434151       10.4625859553
  O         5.1105136067       12.7377345049        7.5950721568
  H         5.5558029883       12.8260812078        8.3627411846
  H         5.7369224986       13.0327899501        6.9178363366
  O         1.0493934490        3.4949986315        0.3730565518
  H         1.0011142471        3.8319237621        1.2478166441
  H         1.4367335677        4.1719474102       -0.2528088883
  O        11.1281704895        7.9078327752        6.8449258395
  H        10.6931931262        8.3437628712        6.1348058841
  H        12.0179581351        8.3589380760        6.9140743699
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433        9.9606785456        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 159
  O        11.7065135076        7.4378088972       -0.0208197546
  H        10.9207495157        7.7617527352        0.5058084692
  H        11.3630187223        7.0105502489       -0.8296155477
  O         2.3273131364        6.0266910103        2.2977787453
  H         2.2725317081        6.6522152653        2.9679410610
  H         1.8347486716        6.3757194713        1.5005592352
  O        10.2409961070        5.0947378228       11.2653574741
  H        10.4742384390        4.1231701166       11.3060294161
  H         9.6664474309        5.1128434151       10.4625859553
  O         5.1105136067       12.7377345049        7.5950721568
  H         5.5558029883       12.8260812078        8.3627411846
  H         5.7369224986       13.0327899501        6.9178363366
  O         1.0493934490        3.4949986315        0.3730565518
  H         1.0011142471        3.8319237621        1.2478166441
  H         1.4367335677        4.1719474102       -0.2528088883
  O        11.1281704895        7.9127787267        6.8509273103
  H        10.6931931262        8.2551864411        6.0912811052
  H        12.0179581351        8.3690102830        6.8623412798
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433        9.9606785456        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 160
  O        11.7065135076        7.4378088972       -0.0208197546
  H        10.9207495157        7.7617527352        0.5058084692
  H        11.3630187223        7.0105502489       -0.8296155477
  O         2.3273131364        6.0266910103        2.2977787453
  H         2.2725317081        6.6522152653        2.9679410610
  H         1.8347486716        6.3757194713        1.5005592352
  O        10.2409961070        5.0947378228       11.2653574741
  H        10.4742384390        4.1231701166       11.3060294161
  H         9.6664474309        5.1128434151       10.4625859553
  O         5.1105136067       12.7377345049        7.5950721568
  H         5.5558029883       12.8260812078        8.3627411846
  H         5.7369224986       13.0327899501        6.9178363366
  O         1.0493934490        3.5030737493        0.3546576974
  H         1.0011142471        3.5236482542        1.2918345497
  H         1.4367335677        4.3520512511       -0.0047924378
  O        11.1281704895        7.9127787267        6.8509273103
  H        10.6931931262        8.2551864411        6.0912811052
  H        12.0179581351        8.3690102830        6.8623412798
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433        9.9606785456        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 161
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3273131364        6.0266910103        2.2977787453
  H         2.2725317081        6.6522152653        2.9679410610
  H         1.8347486716        6.3757194713        1.5005592352
  O        10.2409961070        5.0947378228       11.2653574741
  H        10.4742384390        4.1231701166       11.3060294161
  H         9.6664474309        5.1128434151       10.4625859553
  O         5.1105136067       12.7377345049        7.5950721568
  H         5.5558029883       12.8260812078        8.3627411846
  H         5.7369224986       13.0327899501        6.9178363366
  O         1.0493934490        3.5030737493        0.3546576974
  H         1.0011142471        3.5236482542        1.2918345497
  H         1.4367335677        4.3520512511       -0.0047924378
  O        11.1281704895        7.9127787267        6.8509273103
  H        10.6931931262        8.2551864411        6.0912811052
  H        12.0179581351        8.3690102830        6.8623412798
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433        9.9606785456        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 162
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3273131364        6.0266910103        2.2977787453
  H         2.2725317081        6.6522152653        2.9679410610
  H         1.8347486716        6.3757194713        1.5005592352
  O        10.2409961070        5.0947378228       11.2653574741
  H        10.4742384390        4.1231701166       11.3060294161
  H         9.6664474309        5.1128434151       10.4625859553
  O         5.1105136067       12.7377345049        7.5950721568
  H         5.5558029883       12.8260812078        8.3627411846
  H         5.7369224986       13.0327899501        6.9178363366
  O         1.0493934490        3.5030737493        0.3546576974
  H         1.0011142471        3.5236482542        1.2918345497
  H         1.4367335677        4.3520512511       -0.0047924378
  O        11.1281704895        7.9127787267        6.8509273103
  H        10.6931931262        8.2551864411        6.0912811052
  H        12.0179581351        8.3690102830        6.8623412798
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433        9.9606785456        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 163
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3261285221        6.0275304215        2.2958614376
  H         2.2713470939        6.6530546764        2.9660237534
  H         1.8547359820        6.3615565734        1.5329088564
  O        10.2409961070        5.0947378228       11.2653574741
  H        10.4742384390        4.1231701166       11.3060294161
  H         9.6664474309        5.1128434151       10.4625859553
  O         5.1105136067       12.7377345049        7.5950721568
  H         5.5558029883       12.8260812078        8.3627411846
  H         5.7369224986       13.0327899501        6.9178363366
  O         1.0493934490        3.5030737493        0.3546576974
  H         1.0011142471        3.5236482542        1.2918345497
  H         1.4367335677        4.3520512511       -0.0047924378
  O        11.1281704895        7.9127787267        6.8509273103
  H        10.6931931262        8.2551864411        6.0912811052
  H        12.0179581351        8.3690102830        6.8623412798
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433        9.9606785456        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 164
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3261285221        6.0275304215        2.2958614376
  H         2.2713470939        6.6530546764        2.9660237534
  H         1.8547359820        6.3615565734        1.5329088564
  O        10.2409961070        5.0947378228       11.2653574741
  H        10.4742384390        4.1231701166       11.3060294161
  H         9.6664474309        5.1128434151       10.4625859553
  O         5.1105136067       12.7377345049        7.5950721568
  H         5.5558029883       12.8260812078        8.3627411846
  H         5.7369224986       13.0327899501        6.9178363366
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1281704895        7.9127787267        6.8509273103
  H        10.6931931262        8.2551864411        6.0912811052
  H        12.0179581351        8.3690102830        6.8623412798
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433        9.9606785456        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 165
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3261285221        6.0275304215        2.2958614376
  H         2.2713470939        6.6530546764        2.9660237534
  H         1.8547359820        6.3615565734        1.5329088564
  O        10.2409929702        5.0947508892       11.2653569271
  H        10.4742913649        4.1229496544       11.3060386452
  H         9.6664442941        5.1128564815       10.4625854083
  O         5.1105136067       12.7377345049        7.5950721568
  H         5.5558029883       12.8260812078        8.3627411846
  H         5.7369224986       13.0327899501        6.9178363366
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1281704895        7.9127787267        6.8509273103
  H        10.6931931262        8.2551864411        6.0912811052
  H        12.0179581351        8.3690102830        6.8623412798
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433        9.9606785456        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 166
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3244427950        6.0275304215        2.3017768622
  H         2.1336651468        6.6530546764        2.9465422638
  H         2.0191744983        6.3615565734        1.4584982397
  O        10.2409929702        5.0947508892       11.2653569271
  H        10.4742913649        4.1229496544       11.3060386452
  H         9.6664442941        5.1128564815       10.4625854083
  O         5.1105136067       12.7377345049        7.5950721568
  H         5.5558029883       12.8260812078        8.3627411846
  H         5.7369224986       13.0327899501        6.9178363366
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1281704895        7.9127787267        6.8509273103
  H        10.6931931262        8.2551864411        6.0912811052
  H        12.0179581351        8.3690102830        6.8623412798
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433        9.9606785456        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 167
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3244427950        6.0275304215        2.3017768622
  H         2.1336651468        6.6530546764        2.9465422638
  H         2.0191744983        6.3615565734        1.4584982397
  O        10.2409929702        5.0947508892       11.2653569271
  H        10.4742913649        4.1229496544       11.3060386452
  H         9.6664442941        5.1128564815       10.4625854083
  O         5.1105136067       12.7377345049        7.5950721568
  H         5.5558029883       12.8260812078        8.3627411846
  H         5.7369224986       13.0327899501        6.9178363366
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1281704895        7.9127787267        6.8509273103
  H        10.6931931262        8.2551864411        6.0912811052
  H        12.0179581351        8.3690102830        6.8623412798
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433        9.9606785456        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 168
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3244427950        6.0275304215        2.3017768622
  H         2.1336651468        6.6530546764        2.9465422638
  H         2.0191744983        6.3615565734        1.4584982397
  O        10.2409929702        5.0947508892       11.2653569271
  H        10.4742913649        4.1229496544       11.3060386452
  H         9.6664442941        5.1128564815       10.4625854083
  O         5.1105136067       12.7377345049        7.5950721568
  H         5.5558029883       12.8260812078        8.3627411846
  H         5.7369224986       13.0327899501        6.9178363366
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1281704895        7.9127787267        6.8509273103
  H        10.6931931262        8.2551864411        6.0912811052
  H        12.0179581351        8.3690102830        6.8623412798
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433        9.9606785456        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 169
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3244427950        6.0275304215        2.3017768622
  H         2.1336651468        6.6530546764        2.9465422638
  H         2.0191744983        6.3615565734        1.4584982397
  O        10.2409929702        5.0947508892       11.2653569271
  H        10.4742913649        4.1229496544       11.3060386452
  H         9.6664442941        5.1128564815       10.4625854083
  O         5.1105136067       12.7377345049        7.5950721568
  H         5.5558029883       12.8260812078        8.3627411846
  H         5.7369224986       13.0327899501        6.9178363366
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1281704895        7.9127787267        6.8509273103
  H        10.6931931262        8.2551864411        6.0912811052
  H        12.0179581351        8.3690102830        6.8623412798
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433        9.9606785456        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 170
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3244427950        6.0275304215        2.3017768622
  H         2.1336651468        6.6530546764        2.9465422638
  H         2.0191744983        6.3615565734        1.4584982397
  O        10.2409929702        5.0947508892       11.2653569271
  H        10.4742913649        4.1229496544       11.3060386452
  H         9.6664442941        5.1128564815       10.4625854083
  O         5.1106379247       12.7377345049        7.5937683933
  H         5.5391154546       12.8260812078        8.3709462210
  H         5.7516368046       13.0327899501        6.9303251839
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1281704895        7.9127787267        6.8509273103
  H        10.6931931262        8.2551864411        6.0912811052
  H        12.0179581351        8.3690102830        6.8623412798
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433        9.9606785456        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 171
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3244427950        5.5559622791        2.3017768622
  H         2.1336651468        6.1814865341        2.9465422638
  H         2.0191744983        5.8899884311        1.4584982397
  O        10.2409929702        5.0947508892       11.2653569271
  H        10.4742913649        4.1229496544       11.3060386452
  H         9.6664442941        5.1128564815       10.4625854083
  O         5.1106379247       12.7377345049        7.5937683933
  H         5.5391154546       12.8260812078        8.3709462210
  H         5.7516368046       13.0327899501        6.9303251839
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1281704895        7.9127787267        6.8509273103
  H        10.6931931262        8.2551864411        6.0912811052
  H        12.0179581351        8.3690102830        6.8623412798
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433        9.9606785456        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 172
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3244427950        5.5559622791        2.3017768622
  H         2.1336651468        6.1814865341        2.9465422638
  H         2.0191744983        5.8899884311        1.4584982397
  O        10.2409929702        5.0947508892       11.2653569271
  H        10.4742913649        4.1229496544       11.3060386452
  H         9.6664442941        5.1128564815       10.4625854083
  O         5.1106379247       12.7377345049        7.5937683933
  H         5.5391154546       12.8260812078        8.3709462210
  H         5.7516368046       13.0327899501        6.9303251839
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1281704895        7.9127787267        6.8509273103
  H        10.6931931262        8.2551864411        6.0912811052
  H        12.0179581351        8.3690102830        6.8623412798
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.4124929448        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.5400000000        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 173
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3244427950        5.5559622791        2.3017768622
  H         2.1336651468        6.1814865341        2.9465422638
  H         2.0191744983        5.8899884311        1.4584982397
  O        10.2409929702        5.0947508892       11.2653569271
  H        10.4742913649        4.1229496544       11.3060386452
  H         9.6664442941        5.1128564815       10.4625854083
  O         5.1106379247       12.7377345049        7.5937683933
  H         5.5391154546       12.8260812078        8.3709462210
  H         5.7516368046       13.0327899501        6.9303251839
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1281704895        7.9127787267        6.8509273103
  H        10.6931931262        8.2551864411        6.0912811052
  H        12.0179581351        8.3690102830        6.8623412798
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.4124929448        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 174
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3244427950        5.5559622791        2.3017768622
  H         2.1336651468        6.1814865341        2.9465422638
  H         2.0191744983        5.8899884311        1.4584982397
  O        10.2409929702        5.0947508892       11.2653569271
  H        10.4742913649        4.1229496544       11.3060386452
  H         9.6664442941        5.1128564815       10.4625854083
  O         5.1106379247       12.7377345049        7.5937683933
  H         5.5391154546       12.8260812078        8.3709462210
  H         5.7516368046       13.0327899501        6.9303251839
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1267576065        7.9138909272        6.8484598458
  H        10.7170318823        8.2364209267        6.1329132041
  H        12.0165452521        8.3701224835        6.8598738153
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.4124929448        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 175
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3244427950        5.5559622791        2.3017768622
  H         2.1336651468        6.1814865341        2.9465422638
  H         2.0191744983        5.8899884311        1.4584982397
  O        10.2409929702        5.0947508892       11.2653569271
  H        10.4742913649        4.1229496544       11.3060386452
  H         9.6664442941        5.1128564815       10.4625854083
  O         5.1106379247       12.7377345049        7.5937683933
  H         5.5391154546       12.8260812078        8.3709462210
  H         5.7516368046       13.0327899501        6.9303251839
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1267576065        7.9138909272        6.8484598458
  H        10.7170318823        8.2364209267        6.1329132041
  H        12.0165452521        8.3701224835        6.8598738153
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.4124929448        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.4300000000        5.5400000000        5.2400000000
      27
BOX 1,  STEP 176
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3244427950        5.5559622791        2.3017768622
  H         2.1336651468        6.1814865341        2.9465422638
  H         2.0191744983        5.8899884311        1.4584982397
  O        10.2409929702        5.0947508892       11.2653569271
  H        10.4742913649        4.1229496544       11.3060386452
  H         9.6664442941        5.1128564815       10.4625854083
  O         5.1106379247       12.7377345049        7.5937683933
  H         5.5391154546       12.8260812078        8.3709462210
  H         5.7516368046       13.0327899501        6.9303251839
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1267576065        7.9138909272        6.8484598458
  H        10.7170318823        8.2364209267        6.1329132041
  H        12.0165452521        8.3701224835        6.8598738153
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.4124929448        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.5400000000        5.2400000000
      27
BOX 1,  STEP 177
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3244427950        5.5559622791        2.3017768622
  H         2.1336651468        6.1814865341        2.9465422638
  H         2.0191744983        5.8899884311        1.4584982397
  O        10.2409929702        5.0947508892       11.2653569271
  H        10.4742913649        4.1229496544       11.3060386452
  H         9.6664442941        5.1128564815       10.4625854083
  O         5.1106379247       12.7377345049        7.5937683933
  H         5.5391154546       12.8260812078        8.3709462210
  H         5.7516368046       13.0327899501        6.9303251839
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1267576065        7.9335058713        6.8626980520
  H        10.7170318823        7.9396959739        6.0778450214
  H        12.0165452521        8.3555107923        6.6889472006
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.4124929448        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.5400000000        5.2400000000
      27
BOX 1,  STEP 178
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3244427950        5.5550389914        2.2955046719
  H         2.1336651468        6.1019484231        3.0081708563
  H         2.0191744983        5.9841813530        1.4964244890
  O        10.2409929702        5.0947508892       11.2653569271
  H        10.4742913649        4.1229496544       11.3060386452
  H         9.6664442941        5.1128564815       10.4625854083
  O         5.1106379247       12.7377345049        7.5937683933
  H         5.5391154546       12.8260812078        8.3709462210
  H         5.7516368046       13.0327899501        6.9303251839
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1267576065        7.9335058713        6.8626980520
  H        10.7170318823        7.9396959739        6.0778450214
  H        12.0165452521        8.3555107923        6.6889472006
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.4124929448        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.5400000000        5.2400000000
      27
BOX 1,  STEP 179
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3244427950        5.5550389914        2.2955046719
  H         2.1336651468        6.1019484231        3.0081708563
  H         2.0191744983        5.9841813530        1.4964244890
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4742913649        4.1426768279       11.4295735438
  H         9.6664442941        5.0093229160       10.4599068758
  O         5.1106379247       12.7377345049        7.5937683933
  H         5.5391154546       12.8260812078        8.3709462210
  H         5.7516368046       13.0327899501        6.9303251839
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1267576065        7.9335058713        6.8626980520
  H        10.7170318823        7.9396959739        6.0778450214
  H        12.0165452521        8.3555107923        6.6889472006
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.4124929448        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.5400000000        5.2400000000
      27
BOX 1,  STEP 180
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3244427950        5.5550389914        2.2955046719
  H         2.1336651468        6.1019484231        3.0081708563
  H         2.0191744983        5.9841813530        1.4964244890
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4742913649        4.1426768279       11.4295735438
  H         9.6664442941        5.0093229160       10.4599068758
  O         5.1106379247       12.7377345049        7.5937683933
  H         5.5391154546       12.8260812078        8.3709462210
  H         5.7516368046       13.0327899501        6.9303251839
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1267576065        7.9335058713        6.8626980520
  H        10.7170318823        7.9396959739        6.0778450214
  H        12.0165452521        8.3555107923        6.6889472006
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.4124929448        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.5400000000        5.2400000000
      27
BOX 1,  STEP 181
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3244427950        5.5550389914        2.2955046719
  H         2.1336651468        6.1019484231        3.0081708563
  H         2.0191744983        5.9841813530        1.4964244890
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4742913649        4.1426768279       11.4295735438
  H         9.6664442941        5.0093229160       10.4599068758
  O         5.1106379247       12.7377345049        7.5937683933
  H         5.5391154546       12.8260812078        8.3709462210
  H         5.7516368046       13.0327899501        6.9303251839
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1393599924        7.9244158702        6.8626980520
  H        10.7652063913        7.7573153938        6.0778450214
  H        11.7683403734        8.6821716935        6.6889472006
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.4124929448        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.5400000000        5.2400000000
      27
BOX 1,  STEP 182
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3244427950        5.5550389914        2.2955046719
  H         2.1336651468        6.1019484231        3.0081708563
  H         2.0191744983        5.9841813530        1.4964244890
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4742913649        4.1426768279       11.4295735438
  H         9.6664442941        5.0093229160       10.4599068758
  O         5.1106379247       12.7377345049        7.5937683933
  H         5.5391154546       12.8260812078        8.3709462210
  H         5.7516368046       13.0327899501        6.9303251839
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1393599924        7.9244158702        6.8626980520
  H        10.7652063913        7.7573153938        6.0778450214
  H        11.7683403734        8.6821716935        6.6889472006
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.6344303416        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.5400000000        5.2400000000
      27
BOX 1,  STEP 183
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3067645858        5.5492253289        2.2955046719
  H         2.2890018472        6.1281817372        3.0081708563
  H         2.1444337715        6.0502249359        1.4964244890
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4742913649        4.1426768279       11.4295735438
  H         9.6664442941        5.0093229160       10.4599068758
  O         5.1106379247       12.7377345049        7.5937683933
  H         5.5391154546       12.8260812078        8.3709462210
  H         5.7516368046       13.0327899501        6.9303251839
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1393599924        7.9244158702        6.8626980520
  H        10.7652063913        7.7573153938        6.0778450214
  H        11.7683403734        8.6821716935        6.6889472006
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.6344303416        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.5400000000        5.2400000000
      27
BOX 1,  STEP 184
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3067645858        5.5492253289        2.2955046719
  H         2.2890018472        6.1281817372        3.0081708563
  H         2.1444337715        6.0502249359        1.4964244890
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4742913649        4.1426768279       11.4295735438
  H         9.6664442941        5.0093229160       10.4599068758
  O         5.1106379247       12.7377345049        7.5937683933
  H         5.5391154546       12.8260812078        8.3709462210
  H         5.7516368046       13.0327899501        6.9303251839
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1393599924        7.9244158702        6.8626980520
  H        10.7652063913        7.7573153938        6.0778450214
  H        11.7683403734        8.6821716935        6.6889472006
  O         3.2962814337        5.5515145258       12.0527875204
  H         3.2025373410        4.5816921368       11.8277173560
  H         3.9285134507        6.0053672292       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.6344303416        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.5400000000        5.2400000000
      27
BOX 1,  STEP 185
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3067645858        5.5492253289        2.2955046719
  H         2.2890018472        6.1281817372        3.0081708563
  H         2.1444337715        6.0502249359        1.4964244890
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4742913649        4.1426768279       11.4295735438
  H         9.6664442941        5.0093229160       10.4599068758
  O         5.1106379247       12.7377345049        7.5937683933
  H         5.5391154546       12.8260812078        8.3709462210
  H         5.7516368046       13.0327899501        6.9303251839
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1393599924        7.9244158702        6.8626980520
  H        10.7652063913        7.7573153938        6.0778450214
  H        11.7683403734        8.6821716935        6.6889472006
  O         3.2882338899        5.5394899019       12.0527875204
  H         3.5313147927        4.5959565979       11.8277173560
  H         3.7274699999        6.1819626556       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.6344303416        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.5400000000        5.2400000000
      27
BOX 1,  STEP 186
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3067645858        5.5492253289        2.2955046719
  H         2.2890018472        6.1281817372        3.0081708563
  H         2.1444337715        6.0502249359        1.4964244890
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4742913649        4.1426768279       11.4295735438
  H         9.6664442941        5.0093229160       10.4599068758
  O         5.1106379247       12.7377345049        7.5937683933
  H         5.5391154546       12.8260812078        8.3709462210
  H         5.7516368046       13.0327899501        6.9303251839
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1393599924        7.9244158702        6.8626980520
  H        10.7652063913        7.7573153938        6.0778450214
  H        11.7683403734        8.6821716935        6.6889472006
  O         3.2882338899        5.5394899019       12.0527875204
  H         3.5313147927        4.5959565979       11.8277173560
  H         3.7274699999        6.1819626556       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.6344303416        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.5400000000        5.3024740908
      27
BOX 1,  STEP 187
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3067645858        5.5492253289        2.2955046719
  H         2.2890018472        6.1281817372        3.0081708563
  H         2.1444337715        6.0502249359        1.4964244890
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4742913649        4.1426768279       11.4295735438
  H         9.6664442941        5.0093229160       10.4599068758
  O         5.1106379247       12.7377345049        7.5937683933
  H         5.5391154546       12.8260812078        8.3709462210
  H         5.7516368046       13.0327899501        6.9303251839
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1393599924        7.9244158702        6.8626980520
  H        10.7652063913        7.7573153938        6.0778450214
  H        11.7683403734        8.6821716935        6.6889472006
  O         3.2882338899        5.5394899019       12.0527875204
  H         3.5313147927        4.5959565979       11.8277173560
  H         3.7274699999        6.1819626556       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.6344303416        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 188
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3067645858        5.5492253289        2.2955046719
  H         2.2890018472        6.1281817372        3.0081708563
  H         2.1444337715        6.0502249359        1.4964244890
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4742913649        4.1426768279       11.4295735438
  H         9.6664442941        5.0093229160       10.4599068758
  O         5.1106379247       12.7377345049        7.5937683933
  H         5.5391154546       12.8260812078        8.3709462210
  H         5.7516368046       13.0327899501        6.9303251839
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1393599924        7.9244158702        6.8626980520
  H        10.7652063913        7.7573153938        6.0778450214
  H        11.7683403734        8.6821716935        6.6889472006
  O         3.2882338899        5.5394899019       12.0527875204
  H         3.5313147927        4.5959565979       11.8277173560
  H         3.7274699999        6.1819626556       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.6344303416        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.8956570017        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 189
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3067645858        5.5492253289        2.2955046719
  H         2.2890018472        6.1281817372        3.0081708563
  H         2.1444337715        6.0502249359        1.4964244890
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4742913649        4.1426768279       11.4295735438
  H         9.6664442941        5.0093229160       10.4599068758
  O         5.1106379247       12.7377345049        7.5937683933
  H         5.5391154546       12.8260812078        8.3709462210
  H         5.7516368046       13.0327899501        6.9303251839
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1393599924        7.9244158702        6.8626980520
  H        10.7652063913        7.7573153938        6.0778450214
  H        11.7683403734        8.6821716935        6.6889472006
  O         3.2882338899        5.5394899019       12.0527875204
  H         3.5313147927        4.5959565979       11.8277173560
  H         3.7274699999        6.1819626556       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.6344303416        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 190
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3067645858        5.5492253289        2.2955046719
  H         2.2890018472        6.1281817372        3.0081708563
  H         2.1444337715        6.0502249359        1.4964244890
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4742913649        4.1426768279       11.4295735438
  H         9.6664442941        5.0093229160       10.4599068758
  O         5.1106379247       12.7377345049        7.5937683933
  H         5.5391154546       12.8260812078        8.3709462210
  H         5.7516368046       13.0327899501        6.9303251839
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1393599924        7.9244158702        6.8626980520
  H        10.7652063913        7.7573153938        6.0778450214
  H        11.7683403734        8.6821716935        6.6889472006
  O         3.2882338899        5.5394899019       12.0527875204
  H         3.5313147927        4.5959565979       11.8277173560
  H         3.7274699999        6.1819626556       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.6344303416        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 191
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3067645858        5.5492253289        2.2955046719
  H         2.2890018472        6.1281817372        3.0081708563
  H         2.1444337715        6.0502249359        1.4964244890
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4742913649        4.1426768279       11.4295735438
  H         9.6664442941        5.0093229160       10.4599068758
  O         5.1106379247       12.7369370053        7.6025078831
  H         5.5391154546       13.1173759864        8.2859379800
  H         5.7516368046       12.7541534219        6.8766165669
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1393599924        7.9244158702        6.8626980520
  H        10.7652063913        7.7573153938        6.0778450214
  H        11.7683403734        8.6821716935        6.6889472006
  O         3.2882338899        5.5394899019       12.0527875204
  H         3.5313147927        4.5959565979       11.8277173560
  H         3.7274699999        6.1819626556       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.6344303416        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 192
  O        11.7065135076        7.2210583449       -0.0208197546
  H        10.9207495157        7.5450021830        0.5058084692
  H        11.3630187223        6.7937996967       -0.8296155477
  O         2.3067645858        5.5492253289        2.2955046719
  H         2.2890018472        6.1281817372        3.0081708563
  H         2.1444337715        6.0502249359        1.4964244890
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4742913649        4.1426768279       11.4295735438
  H         9.6664442941        5.0093229160       10.4599068758
  O         5.1106379247       12.7369370053        7.6025078831
  H         5.5391154546       13.1173759864        8.2859379800
  H         5.7516368046       12.7541534219        6.8766165669
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1281424956        7.9320382112        6.8626980520
  H        10.7187137839        7.9152567773        6.0778450214
  H        11.9928818089        8.4032453074        6.6889472006
  O         3.2882338899        5.5394899019       12.0527875204
  H         3.5313147927        4.5959565979       11.8277173560
  H         3.7274699999        6.1819626556       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.6344303416        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 193
  O        11.7065135076        7.2197928338       -0.0204123674
  H        10.9207495157        7.5011137230        0.5301650146
  H        11.3630187223        6.8577748826       -0.8604383137
  O         2.3067645858        5.5492253289        2.2955046719
  H         2.2890018472        6.1281817372        3.0081708563
  H         2.1444337715        6.0502249359        1.4964244890
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4742913649        4.1426768279       11.4295735438
  H         9.6664442941        5.0093229160       10.4599068758
  O         5.1106379247       12.7369370053        7.6025078831
  H         5.5391154546       13.1173759864        8.2859379800
  H         5.7516368046       12.7541534219        6.8766165669
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1281424956        7.9320382112        6.8626980520
  H        10.7187137839        7.9152567773        6.0778450214
  H        11.9928818089        8.4032453074        6.6889472006
  O         3.2882338899        5.5394899019       12.0527875204
  H         3.5313147927        4.5959565979       11.8277173560
  H         3.7274699999        6.1819626556       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.6344303416        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 194
  O        11.7065135076        7.2197928338       -0.0204123674
  H        10.9207495157        7.5011137230        0.5301650146
  H        11.3630187223        6.8577748826       -0.8604383137
  O         2.3067645858        5.5492253289        2.2955046719
  H         2.2890018472        6.1281817372        3.0081708563
  H         2.1444337715        6.0502249359        1.4964244890
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4742913649        4.1426768279       11.4295735438
  H         9.6664442941        5.0093229160       10.4599068758
  O         5.1106379247       12.7369370053        7.6025078831
  H         5.5391154546       13.1173759864        8.2859379800
  H         5.7516368046       12.7541534219        6.8766165669
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1281424956        7.9320382112        6.8626980520
  H        10.7187137839        7.9152567773        6.0778450214
  H        11.9928818089        8.4032453074        6.6889472006
  O         3.2882338899        5.5394899019       12.0527875204
  H         3.5313147927        4.5959565979       11.8277173560
  H         3.7274699999        6.1819626556       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.6344303416        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 195
  O        11.7065135076        7.2197928338       -0.0204123674
  H        10.9207495157        7.5011137230        0.5301650146
  H        11.3630187223        6.8577748826       -0.8604383137
  O         2.3067645858        5.5492253289        2.2955046719
  H         2.2890018472        6.1281817372        3.0081708563
  H         2.1444337715        6.0502249359        1.4964244890
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4742913649        4.1426768279       11.4295735438
  H         9.6664442941        5.0093229160       10.4599068758
  O         5.1106379247       12.7369370053        7.6025078831
  H         5.5391154546       13.1173759864        8.2859379800
  H         5.7516368046       12.7541534219        6.8766165669
  O         1.0566328991        3.5008407462        0.3546576974
  H         1.0058847669        3.5142130560        1.2918345497
  H         1.3170554503        4.3969296151       -0.0047924378
  O        11.1281424956        7.9320382112        7.4092070605
  H        10.7187137839        7.9152567773        6.6243540299
  H        11.9928818089        8.4032453074        7.2354562091
  O         3.2882338899        5.5394899019       12.0527875204
  H         3.5313147927        4.5959565979       11.8277173560
  H         3.7274699999        6.1819626556       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.6344303416        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 196
  O        11.7065135076        7.2197928338       -0.0204123674
  H        10.9207495157        7.5011137230        0.5301650146
  H        11.3630187223        6.8577748826       -0.8604383137
  O         2.3067645858        5.5492253289        2.2955046719
  H         2.2890018472        6.1281817372        3.0081708563
  H         2.1444337715        6.0502249359        1.4964244890
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4742913649        4.1426768279       11.4295735438
  H         9.6664442941        5.0093229160       10.4599068758
  O         5.1106379247       12.7369370053        7.6025078831
  H         5.5391154546       13.1173759864        8.2859379800
  H         5.7516368046       12.7541534219        6.8766165669
  O         1.0566328991        3.5008407462        0.1004933810
  H         1.0058847669        3.5142130560        1.0376702333
  H         1.3170554503        4.3969296151       -0.2589567542
  O        11.1281424956        7.9320382112        7.4092070605
  H        10.7187137839        7.9152567773        6.6243540299
  H        11.9928818089        8.4032453074        7.2354562091
  O         3.2882338899        5.5394899019       12.0527875204
  H         3.5313147927        4.5959565979       11.8277173560
  H         3.7274699999        6.1819626556       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.6344303416        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 197
  O        11.7079330187        7.2197928338       -0.0276137700
  H        10.9890022345        7.5011137230        0.6077593739
  H        11.2722349253        6.8577748826       -0.8237289812
  O         2.3067645858        5.5492253289        2.2955046719
  H         2.2890018472        6.1281817372        3.0081708563
  H         2.1444337715        6.0502249359        1.4964244890
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4742913649        4.1426768279       11.4295735438
  H         9.6664442941        5.0093229160       10.4599068758
  O         5.1106379247       12.7369370053        7.6025078831
  H         5.5391154546       13.1173759864        8.2859379800
  H         5.7516368046       12.7541534219        6.8766165669
  O         1.0566328991        3.5008407462        0.1004933810
  H         1.0058847669        3.5142130560        1.0376702333
  H         1.3170554503        4.3969296151       -0.2589567542
  O        11.1281424956        7.9320382112        7.4092070605
  H        10.7187137839        7.9152567773        6.6243540299
  H        11.9928818089        8.4032453074        7.2354562091
  O         3.2882338899        5.5394899019       12.0527875204
  H         3.5313147927        4.5959565979       11.8277173560
  H         3.7274699999        6.1819626556       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.6344303416        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 198
  O        11.7079330187        7.2197928338       -0.0276137700
  H        10.9890022345        7.5011137230        0.6077593739
  H        11.2722349253        6.8577748826       -0.8237289812
  O         2.3067645858        5.5492253289        2.2955046719
  H         2.2890018472        6.1281817372        3.0081708563
  H         2.1444337715        6.0502249359        1.4964244890
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4921312471        4.1522167389       11.4553753907
  H         9.6626469720        5.0414633230       10.4596437921
  O         5.1106379247       12.7369370053        7.6025078831
  H         5.5391154546       13.1173759864        8.2859379800
  H         5.7516368046       12.7541534219        6.8766165669
  O         1.0566328991        3.5008407462        0.1004933810
  H         1.0058847669        3.5142130560        1.0376702333
  H         1.3170554503        4.3969296151       -0.2589567542
  O        11.1281424956        7.9320382112        7.4092070605
  H        10.7187137839        7.9152567773        6.6243540299
  H        11.9928818089        8.4032453074        7.2354562091
  O         3.2882338899        5.5394899019       12.0527875204
  H         3.5313147927        4.5959565979       11.8277173560
  H         3.7274699999        6.1819626556       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.6344303416        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 199
  O        11.7079330187        7.2197928338       -0.0276137700
  H        10.9890022345        7.5011137230        0.6077593739
  H        11.2722349253        6.8577748826       -0.8237289812
  O         2.3067645858        5.5492253289        2.2955046719
  H         2.2890018472        6.1281817372        3.0081708563
  H         2.1444337715        6.0502249359        1.4964244890
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4921312471        4.1522167389       11.4553753907
  H         9.6626469720        5.0414633230       10.4596437921
  O         5.1106379247       12.7369370053        7.6025078831
  H         5.5391154546       13.1173759864        8.2859379800
  H         5.7516368046       12.7541534219        6.8766165669
  O         1.0566328991        3.5008407462        0.1004933810
  H         1.0058847669        3.5142130560        1.0376702333
  H         1.3170554503        4.3969296151       -0.2589567542
  O        11.1281424956        7.9320382112        7.4092070605
  H        10.7187137839        7.9152567773        6.6243540299
  H        11.9928818089        8.4032453074        7.2354562091
  O         3.2882338899        5.5394899019       12.0527875204
  H         3.5313147927        4.5959565979       11.8277173560
  H         3.7274699999        6.1819626556       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.6344303416        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 200
  O        11.7079330187        7.2197928338       -0.0276137700
  H        10.9890022345        7.5011137230        0.6077593739
  H        11.2722349253        6.8577748826       -0.8237289812
  O         2.3067645858        5.5492253289        2.2955046719
  H         2.2890018472        6.1281817372        3.0081708563
  H         2.1444337715        6.0502249359        1.4964244890
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4921312471        4.1522167389       11.4553753907
  H         9.6626469720        5.0414633230       10.4596437921
  O         5.1106379247       12.7369370053        7.6025078831
  H         5.5391154546       13.1173759864        8.2859379800
  H         5.7516368046       12.7541534219        6.8766165669
  O         1.0566328991        3.5008407462        0.1004933810
  H         1.0058847669        3.5142130560        1.0376702333
  H         1.3170554503        4.3969296151       -0.2589567542
  O        11.1281424956        7.9320382112        7.4092070605
  H        10.7187137839        7.9152567773        6.6243540299
  H        11.9928818089        8.4032453074        7.2354562091
  O         3.2882338899        5.5394899019       12.0527875204
  H         3.5313147927        4.5959565979       11.8277173560
  H         3.7274699999        6.1819626556       11.4248544298
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.6344303416        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 201
  O        11.7079330187        7.2197928338       -0.0276137700
  H        10.9890022345        7.5011137230        0.6077593739
  H        11.2722349253        6.8577748826       -0.8237289812
  O         2.3067645858        5.5492253289        2.2955046719
  H         2.2890018472        6.1281817372        3.0081708563
  H         2.1444337715        6.0502249359        1.4964244890
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4921312471        4.1522167389       11.4553753907
  H         9.6626469720        5.0414633230       10.4596437921
  O         5.1106379247       12.7369370053        7.6025078831
  H         5.5391154546       13.1173759864        8.2859379800
  H         5.7516368046       12.7541534219        6.8766165669
  O         1.0566328991        3.5008407462        0.1004933810
  H         1.0058847669        3.5142130560        1.0376702333
  H         1.3170554503        4.3969296151       -0.2589567542
  O        11.1281424956        7.9320382112        7.4092070605
  H        10.7187137839        7.9152567773        6.6243540299
  H        11.9928818089        8.4032453074        7.2354562091
  O         3.2747053322        5.5394899019       12.0376472245
  H         3.5781044471        4.5959565979       11.9046288750
  H         3.8954113041        6.1819626556       11.5882560552
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.6344303416        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 202
  O        11.7079330187        7.2197928338       -0.0276137700
  H        10.9890022345        7.5011137230        0.6077593739
  H        11.2722349253        6.8577748826       -0.8237289812
  O         2.3067645858        5.5492253289        2.2955046719
  H         2.2890018472        6.1281817372        3.0081708563
  H         2.1444337715        6.0502249359        1.4964244890
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4921312471        4.1522167389       11.4553753907
  H         9.6626469720        5.0414633230       10.4596437921
  O         5.1106379247       12.7369156850        7.6022989312
  H         5.5391154546       13.1109228694        8.2892699218
  H         5.7516368046       12.7609449434        6.8766011962
  O         1.0566328991        3.5008407462        0.1004933810
  H         1.0058847669        3.5142130560        1.0376702333
  H         1.3170554503        4.3969296151       -0.2589567542
  O        11.1281424956        7.9320382112        7.4092070605
  H        10.7187137839        7.9152567773        6.6243540299
  H        11.9928818089        8.4032453074        7.2354562091
  O         3.2747053322        5.5394899019       12.0376472245
  H         3.5781044471        4.5959565979       11.9046288750
  H         3.8954113041        6.1819626556       11.5882560552
 AR         1.3002208328        3.0706107225        6.2400000000
 AR         4.2059053433       10.6344303416        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 203
  O        11.7079330187        7.2197928338       -0.0276137700
  H        10.9890022345        7.5011137230        0.6077593739
  H        11.2722349253        6.8577748826       -0.8237289812
  O         2.3067645858        5.5492253289        2.2955046719
  H         2.2890018472        6.1281817372        3.0081708563
  H         2.1444337715        6.0502249359        1.4964244890
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4921312471        4.1522167389       11.4553753907
  H         9.6626469720        5.0414633230       10.4596437921
  O         5.1106379247       12.7369156850        7.6022989312
  H         5.5391154546       13.1109228694        8.2892699218
  H         5.7516368046       12.7609449434        6.8766011962
  O         1.0566328991        3.5008407462        0.1004933810
  H         1.0058847669        3.5142130560        1.0376702333
  H         1.3170554503        4.3969296151       -0.2589567542
  O        11.1281424956        7.9320382112        7.4092070605
  H        10.7187137839        7.9152567773        6.6243540299
  H        11.9928818089        8.4032453074        7.2354562091
  O         3.2747053322        5.5394899019       12.0376472245
  H         3.5781044471        4.5959565979       11.9046288750
  H         3.8954113041        6.1819626556       11.5882560552
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 204
  O        11.7079330187        7.2197928338       -0.0276137700
  H        10.9890022345        7.5011137230        0.6077593739
  H        11.2722349253        6.8577748826       -0.8237289812
  O         2.3067645858        5.5492253289        2.2955046719
  H         2.2890018472        6.1281817372        3.0081708563
  H         2.1444337715        6.0502249359        1.4964244890
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4921312471        4.1522167389       11.4553753907
  H         9.6626469720        5.0414633230       10.4596437921
  O         5.1106379247       12.7369156850        7.6022989312
  H         5.5391154546       13.1109228694        8.2892699218
  H         5.7516368046       12.7609449434        6.8766011962
  O         1.0566328991        3.5008407462        0.1004933810
  H         1.0058847669        3.5142130560        1.0376702333
  H         1.3170554503        4.3969296151       -0.2589567542
  O        11.1281424956        7.9320382112        7.4092070605
  H        10.7187137839        7.9152567773        6.6243540299
  H        11.9928818089        8.4032453074        7.2354562091
  O         3.2747053322        5.5488715288       12.0307084557
  H         3.5781044471        4.6112999217       12.2007333320
  H         3.8954113041        6.0177102033       11.4022866550
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        8.8784645740
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 205
  O        11.7079330187        7.2197928338       -0.0276137700
  H        10.9890022345        7.5011137230        0.6077593739
  H        11.2722349253        6.8577748826       -0.8237289812
  O         2.3067645858        5.5492253289        2.2955046719
  H         2.2890018472        6.1281817372        3.0081708563
  H         2.1444337715        6.0502249359        1.4964244890
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4921312471        4.1522167389       11.4553753907
  H         9.6626469720        5.0414633230       10.4596437921
  O         5.1106379247       12.7369156850        7.6022989312
  H         5.5391154546       13.1109228694        8.2892699218
  H         5.7516368046       12.7609449434        6.8766011962
  O         1.0566328991        3.5008407462        0.1004933810
  H         1.0058847669        3.5142130560        1.0376702333
  H         1.3170554503        4.3969296151       -0.2589567542
  O        11.1281424956        7.9320382112        7.4092070605
  H        10.7187137839        7.9152567773        6.6243540299
  H        11.9928818089        8.4032453074        7.2354562091
  O         3.2747053322        5.5488715288       12.0307084557
  H         3.5781044471        4.6112999217       12.2007333320
  H         3.8954113041        6.0177102033       11.4022866550
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        8.9125446524
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 206
  O        11.7073705403        7.2249081883       -0.0276137700
  H        10.9683724629        7.4482571459        0.6077593739
  H        11.3017925910        6.8294384010       -0.8237289812
  O         2.3067645858        5.5492253289        2.2955046719
  H         2.2890018472        6.1281817372        3.0081708563
  H         2.1444337715        6.0502249359        1.4964244890
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4921312471        4.1522167389       11.4553753907
  H         9.6626469720        5.0414633230       10.4596437921
  O         5.1106379247       12.7369156850        7.6022989312
  H         5.5391154546       13.1109228694        8.2892699218
  H         5.7516368046       12.7609449434        6.8766011962
  O         1.0566328991        3.5008407462        0.1004933810
  H         1.0058847669        3.5142130560        1.0376702333
  H         1.3170554503        4.3969296151       -0.2589567542
  O        11.1281424956        7.9320382112        7.4092070605
  H        10.7187137839        7.9152567773        6.6243540299
  H        11.9928818089        8.4032453074        7.2354562091
  O         3.2747053322        5.5488715288       12.0307084557
  H         3.5781044471        4.6112999217       12.2007333320
  H         3.8954113041        6.0177102033       11.4022866550
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        8.9125446524
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 207
  O        11.7073705403        7.2249081883       -0.0276137700
  H        10.9683724629        7.4482571459        0.6077593739
  H        11.3017925910        6.8294384010       -0.8237289812
  O         2.3067645858        5.5492253289        2.2955046719
  H         2.2890018472        6.1281817372        3.0081708563
  H         2.1444337715        6.0502249359        1.4964244890
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4921312471        4.1522167389       11.4553753907
  H         9.6626469720        5.0414633230       10.4596437921
  O         5.1106379247       12.7369156850        7.6022989312
  H         5.5391154546       13.1109228694        8.2892699218
  H         5.7516368046       12.7609449434        6.8766011962
  O         1.0566328991        3.5008407462        0.1004933810
  H         1.0058847669        3.5142130560        1.0376702333
  H         1.3170554503        4.3969296151       -0.2589567542
  O        11.1281424956        7.9320382112        7.4092070605
  H        10.7187137839        7.9152567773        6.6243540299
  H        11.9928818089        8.4032453074        7.2354562091
  O         3.2747053322        5.5488715288       12.0307084557
  H         3.5781044471        4.6112999217       12.2007333320
  H         3.8954113041        6.0177102033       11.4022866550
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        8.9125446524
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 208
  O        11.7073705403        7.2249081883       -0.0276137700
  H        10.9683724629        7.4482571459        0.6077593739
  H        11.3017925910        6.8294384010       -0.8237289812
  O         2.3067645858        5.5492253289        2.2955046719
  H         2.2890018472        6.1281817372        3.0081708563
  H         2.1444337715        6.0502249359        1.4964244890
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4921312471        4.1522167389       11.4553753907
  H         9.6626469720        5.0414633230       10.4596437921
  O         5.1106379247       12.7369156850        7.6022989312
  H         5.5391154546       13.1109228694        8.2892699218
  H         5.7516368046       12.7609449434        6.8766011962
  O         1.0566328991        3.5008407462        0.1004933810
  H         1.0058847669        3.5142130560        1.0376702333
  H         1.3170554503        4.3969296151       -0.2589567542
  O        11.1281424956        7.9320382112        7.4092070605
  H        10.7187137839        7.9152567773        6.6243540299
  H        11.9928818089        8.4032453074        7.2354562091
  O         3.2747053322        5.5488715288       12.0307084557
  H         3.5781044471        4.6112999217       12.2007333320
  H         3.8954113041        6.0177102033       11.4022866550
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 209
  O        11.7073705403        7.2249081883       -0.0276137700
  H        10.9683724629        7.4482571459        0.6077593739
  H        11.3017925910        6.8294384010       -0.8237289812
  O         2.3076672922        5.5492253289        2.2927601624
  H         2.4731775016        6.1281817372        2.9861683941
  H         1.9459299813        6.0502249359        1.5619889602
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4921312471        4.1522167389       11.4553753907
  H         9.6626469720        5.0414633230       10.4596437921
  O         5.1106379247       12.7369156850        7.6022989312
  H         5.5391154546       13.1109228694        8.2892699218
  H         5.7516368046       12.7609449434        6.8766011962
  O         1.0566328991        3.5008407462        0.1004933810
  H         1.0058847669        3.5142130560        1.0376702333
  H         1.3170554503        4.3969296151       -0.2589567542
  O        11.1281424956        7.9320382112        7.4092070605
  H        10.7187137839        7.9152567773        6.6243540299
  H        11.9928818089        8.4032453074        7.2354562091
  O         3.2747053322        5.5488715288       12.0307084557
  H         3.5781044471        4.6112999217       12.2007333320
  H         3.8954113041        6.0177102033       11.4022866550
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 210
  O        11.7073705403        7.2249081883       -0.0276137700
  H        10.9683724629        7.4482571459        0.6077593739
  H        11.3017925910        6.8294384010       -0.8237289812
  O         2.3076672922        5.5492253289        2.2927601624
  H         2.4731775016        6.1281817372        2.9861683941
  H         1.9459299813        6.0502249359        1.5619889602
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4921312471        4.1522167389       11.4553753907
  H         9.6626469720        5.0414633230       10.4596437921
  O         5.1106379247       13.2751272637        7.6022989312
  H         5.5391154546       13.6491344481        8.2892699218
  H         5.7516368046       13.2991565221        6.8766011962
  O         1.0566328991        3.5008407462        0.1004933810
  H         1.0058847669        3.5142130560        1.0376702333
  H         1.3170554503        4.3969296151       -0.2589567542
  O        11.1281424956        7.9320382112        7.4092070605
  H        10.7187137839        7.9152567773        6.6243540299
  H        11.9928818089        8.4032453074        7.2354562091
  O         3.2747053322        5.5488715288       12.0307084557
  H         3.5781044471        4.6112999217       12.2007333320
  H         3.8954113041        6.0177102033       11.4022866550
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 211
  O        11.7073705403        7.2249081883       -0.0276137700
  H        10.9683724629        7.4482571459        0.6077593739
  H        11.3017925910        6.8294384010       -0.8237289812
  O         2.3076672922        5.5492253289        2.2927601624
  H         2.4731775016        6.1281817372        2.9861683941
  H         1.9459299813        6.0502249359        1.5619889602
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4921312471        4.1522167389       11.4553753907
  H         9.6626469720        5.0414633230       10.4596437921
  O         5.1106379247       13.2751272637        7.6022989312
  H         5.5391154546       13.6491344481        8.2892699218
  H         5.7516368046       13.2991565221        6.8766011962
  O         1.0566328991        3.5008407462        0.1004933810
  H         1.0058847669        3.5142130560        1.0376702333
  H         1.3170554503        4.3969296151       -0.2589567542
  O        11.1281424956        7.9320382112        7.4092070605
  H        10.7187137839        7.9152567773        6.6243540299
  H        11.9928818089        8.4032453074        7.2354562091
  O         3.2747053322        5.5488715288       12.0307084557
  H         3.5781044471        4.6112999217       12.2007333320
  H         3.8954113041        6.0177102033       11.4022866550
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 212
  O        11.7073705403        7.2249081883       -0.0276137700
  H        10.9683724629        7.4482571459        0.6077593739
  H        11.3017925910        6.8294384010       -0.8237289812
  O         2.3076672922        5.5492253289        2.2927601624
  H         2.4731775016        6.1281817372        2.9861683941
  H         1.9459299813        6.0502249359        1.5619889602
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4921312471        4.1522167389       11.4553753907
  H         9.6626469720        5.0414633230       10.4596437921
  O         5.1106379247       13.2751272637        7.6022989312
  H         5.5391154546       13.6491344481        8.2892699218
  H         5.7516368046       13.2991565221        6.8766011962
  O         1.0566328991        3.5008407462        0.1004933810
  H         1.0058847669        3.5142130560        1.0376702333
  H         1.3170554503        4.3969296151       -0.2589567542
  O        11.1281424956        7.5211416491        7.4092070605
  H        10.7187137839        7.5043602152        6.6243540299
  H        11.9928818089        7.9923487453        7.2354562091
  O         3.2747053322        5.5488715288       12.0307084557
  H         3.5781044471        4.6112999217       12.2007333320
  H         3.8954113041        6.0177102033       11.4022866550
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 213
  O        11.7073705403        7.2249081883       -0.0276137700
  H        10.9683724629        7.4482571459        0.6077593739
  H        11.3017925910        6.8294384010       -0.8237289812
  O         2.3076672922        5.5492253289        2.2927601624
  H         2.4731775016        6.1281817372        2.9861683941
  H         1.9459299813        6.0502249359        1.5619889602
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4921312471        4.1522167389       11.4553753907
  H         9.6626469720        5.0414633230       10.4596437921
  O         5.1106379247       13.2751272637        7.6022989312
  H         5.5391154546       13.6491344481        8.2892699218
  H         5.7516368046       13.2991565221        6.8766011962
  O         1.0566328991        3.5008407462        0.1004933810
  H         1.0058847669        3.5142130560        1.0376702333
  H         1.3170554503        4.3969296151       -0.2589567542
  O        11.1281424956        7.5211416491        7.4092070605
  H        10.7187137839        7.5043602152        6.6243540299
  H        11.9928818089        7.9923487453        7.2354562091
  O         3.2747053322        5.5488715288       12.0307084557
  H         3.5781044471        4.6112999217       12.2007333320
  H         3.8954113041        6.0177102033       11.4022866550
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 214
  O        11.7073705403        7.2249081883       -0.0276137700
  H        10.9683724629        7.4482571459        0.6077593739
  H        11.3017925910        6.8294384010       -0.8237289812
  O         2.3076672922        5.5492253289        2.2927601624
  H         2.4731775016        6.1281817372        2.9861683941
  H         1.9459299813        6.0502249359        1.5619889602
  O        10.2409929702        5.1000308899       11.2577426905
  H        10.4921312471        4.1522167389       11.4553753907
  H         9.6626469720        5.0414633230       10.4596437921
  O         5.1106379247       13.2751272637        7.6022989312
  H         5.5391154546       13.6491344481        8.2892699218
  H         5.7516368046       13.2991565221        6.8766011962
  O         1.0566328991        3.5008407462        0.1004933810
  H         1.0058847669        3.5142130560        1.0376702333
  H         1.3170554503        4.3969296151       -0.2589567542
  O        11.1371173585        7.5145799607        7.4092070605
  H        10.7523419714        7.3736495242        6.6243540299
  H        11.8168008218        8.2272093154        7.2354562091
  O         3.2747053322        5.5488715288       12.0307084557
  H         3.5781044471        4.6112999217       12.2007333320
  H         3.8954113041        6.0177102033       11.4022866550
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 215
  O        11.7073705403        7.2249081883       -0.0276137700
  H        10.9683724629        7.4482571459        0.6077593739
  H        11.3017925910        6.8294384010       -0.8237289812
  O         2.3076672922        5.5492253289        2.2927601624
  H         2.4731775016        6.1281817372        2.9861683941
  H         1.9459299813        6.0502249359        1.5619889602
  O        10.2548458620        5.0934367457       11.2577426905
  H        10.2540321896        4.1129157429       11.4553753907
  H         9.6808671041        5.1854293488       10.4596437921
  O         5.1106379247       13.2751272637        7.6022989312
  H         5.5391154546       13.6491344481        8.2892699218
  H         5.7516368046       13.2991565221        6.8766011962
  O         1.0566328991        3.5008407462        0.1004933810
  H         1.0058847669        3.5142130560        1.0376702333
  H         1.3170554503        4.3969296151       -0.2589567542
  O        11.1371173585        7.5145799607        7.4092070605
  H        10.7523419714        7.3736495242        6.6243540299
  H        11.8168008218        8.2272093154        7.2354562091
  O         3.2747053322        5.5488715288       12.0307084557
  H         3.5781044471        4.6112999217       12.2007333320
  H         3.8954113041        6.0177102033       11.4022866550
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 216
  O        11.7073705403        7.2249081883       -0.0276137700
  H        10.9683724629        7.4482571459        0.6077593739
  H        11.3017925910        6.8294384010       -0.8237289812
  O         2.3076672922        5.5492253289        2.2927601624
  H         2.4731775016        6.1281817372        2.9861683941
  H         1.9459299813        6.0502249359        1.5619889602
  O        10.2548458620        5.0934367457       11.2577426905
  H        10.2540321896        4.1129157429       11.4553753907
  H         9.6808671041        5.1854293488       10.4596437921
  O         5.1106379247       13.2751272637        7.6022989312
  H         5.5391154546       13.6491344481        8.2892699218
  H         5.7516368046       13.2991565221        6.8766011962
  O         1.0566328991        3.5008407462        0.1004933810
  H         1.0058847669        3.5142130560        1.0376702333
  H         1.3170554503        4.3969296151       -0.2589567542
  O        11.1371173585        7.5145799607        7.4092070605
  H        10.7523419714        7.3736495242        6.6243540299
  H        11.8168008218        8.2272093154        7.2354562091
  O         3.2747053322        5.3706757084       12.0307084557
  H         3.5781044471        4.4331041012       12.2007333320
  H         3.8954113041        5.8395143828       11.4022866550
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 217
  O        11.5297334725        7.2249081883       -0.0276137700
  H        10.7907353951        7.4482571459        0.6077593739
  H        11.1241555232        6.8294384010       -0.8237289812
  O         2.3076672922        5.5492253289        2.2927601624
  H         2.4731775016        6.1281817372        2.9861683941
  H         1.9459299813        6.0502249359        1.5619889602
  O        10.2548458620        5.0934367457       11.2577426905
  H        10.2540321896        4.1129157429       11.4553753907
  H         9.6808671041        5.1854293488       10.4596437921
  O         5.1106379247       13.2751272637        7.6022989312
  H         5.5391154546       13.6491344481        8.2892699218
  H         5.7516368046       13.2991565221        6.8766011962
  O         1.0566328991        3.5008407462        0.1004933810
  H         1.0058847669        3.5142130560        1.0376702333
  H         1.3170554503        4.3969296151       -0.2589567542
  O        11.1371173585        7.5145799607        7.4092070605
  H        10.7523419714        7.3736495242        6.6243540299
  H        11.8168008218        8.2272093154        7.2354562091
  O         3.2747053322        5.3706757084       12.0307084557
  H         3.5781044471        4.4331041012       12.2007333320
  H         3.8954113041        5.8395143828       11.4022866550
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 218
  O        11.5297334725        7.2249081883       -0.0276137700
  H        10.7907353951        7.4482571459        0.6077593739
  H        11.1241555232        6.8294384010       -0.8237289812
  O         2.3076672922        5.5492253289        2.2927601624
  H         2.4731775016        6.1281817372        2.9861683941
  H         1.9459299813        6.0502249359        1.5619889602
  O        10.2548458620        5.0934367457       11.2577426905
  H        10.2540321896        4.1129157429       11.4553753907
  H         9.6808671041        5.1854293488       10.4596437921
  O         5.1106379247       13.2751272637        7.6022989312
  H         5.5391154546       13.6491344481        8.2892699218
  H         5.7516368046       13.2991565221        6.8766011962
  O         1.0566328991        2.9696465621        0.1004933810
  H         1.0058847669        2.9830188720        1.0376702333
  H         1.3170554503        3.8657354310       -0.2589567542
  O        11.1371173585        7.5145799607        7.4092070605
  H        10.7523419714        7.3736495242        6.6243540299
  H        11.8168008218        8.2272093154        7.2354562091
  O         3.2747053322        5.3706757084       12.0307084557
  H         3.5781044471        4.4331041012       12.2007333320
  H         3.8954113041        5.8395143828       11.4022866550
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 219
  O        11.5297334725        7.2249081883       -0.0276137700
  H        10.7907353951        7.4482571459        0.6077593739
  H        11.1241555232        6.8294384010       -0.8237289812
  O         2.3076672922        5.5492253289        2.2927601624
  H         2.4731775016        6.1281817372        2.9861683941
  H         1.9459299813        6.0502249359        1.5619889602
  O        10.2548458620        5.0934367457       11.2577426905
  H        10.2540321896        4.1129157429       11.4553753907
  H         9.6808671041        5.1854293488       10.4596437921
  O         5.1106379247       13.2751272637        7.6022989312
  H         5.5391154546       13.6491344481        8.2892699218
  H         5.7516368046       13.2991565221        6.8766011962
  O         1.0566328991        2.9646222783        0.1102722358
  H         1.0058847669        3.1479704518        1.0294363770
  H         1.3170554503        3.7805313971       -0.4059369956
  O        11.1371173585        7.5145799607        7.4092070605
  H        10.7523419714        7.3736495242        6.6243540299
  H        11.8168008218        8.2272093154        7.2354562091
  O         3.2747053322        5.3706757084       12.0307084557
  H         3.5781044471        4.4331041012       12.2007333320
  H         3.8954113041        5.8395143828       11.4022866550
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 220
  O        11.5297334725        7.2249081883       -0.0276137700
  H        10.7907353951        7.4482571459        0.6077593739
  H        11.1241555232        6.8294384010       -0.8237289812
  O         2.3076672922        5.5492253289        2.2927601624
  H         2.4731775016        6.1281817372        2.9861683941
  H         1.9459299813        6.0502249359        1.5619889602
  O        10.2548458620        5.0934367457       11.2577426905
  H        10.2540321896        4.1129157429       11.4553753907
  H         9.6808671041        5.1854293488       10.4596437921
  O         5.1106379247       13.2751272637        7.6022989312
  H         5.5391154546       13.6491344481        8.2892699218
  H         5.7516368046       13.2991565221        6.8766011962
  O         1.0566328991        2.9646222783        0.1102722358
  H         1.0259477322        3.2205195484        1.0128405999
  H         1.3196725751        3.8208091252       -0.3344229158
  O        11.1371173585        7.5145799607        7.4092070605
  H        10.7523419714        7.3736495242        6.6243540299
  H        11.8168008218        8.2272093154        7.2354562091
  O         3.2747053322        5.3706757084       12.0307084557
  H         3.5781044471        4.4331041012       12.2007333320
  H         3.8954113041        5.8395143828       11.4022866550
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 221
  O        11.5297334725        7.2249081883       -0.0276137700
  H        10.7907353951        7.4482571459        0.6077593739
  H        11.1241555232        6.8294384010       -0.8237289812
  O         2.3076672922        5.5492253289        2.2927601624
  H         2.4731775016        6.1281817372        2.9861683941
  H         1.9459299813        6.0502249359        1.5619889602
  O        10.2548458620        5.0934367457       11.2577426905
  H        10.2540321896        4.1129157429       11.4553753907
  H         9.6808671041        5.1854293488       10.4596437921
  O         5.1106379247       13.2751272637        7.6022989312
  H         5.5391154546       13.6491344481        8.2892699218
  H         5.7516368046       13.2991565221        6.8766011962
  O         1.0566328991        2.9646222783        0.1102722358
  H         1.0259477322        3.2205195484        1.0128405999
  H         1.3196725751        3.8208091252       -0.3344229158
  O        11.1371173585        7.5145799607        7.4092070605
  H        10.7523419714        7.3736495242        6.6243540299
  H        11.8168008218        8.2272093154        7.2354562091
  O         3.2747053322        5.3706757084       12.0307084557
  H         3.5781044471        4.4331041012       12.2007333320
  H         3.8954113041        5.8395143828       11.4022866550
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 222
  O        11.5297334725        7.2249081883       -0.0276137700
  H        10.7907353951        7.4482571459        0.6077593739
  H        11.1241555232        6.8294384010       -0.8237289812
  O         2.3076672922        5.5492253289        2.2927601624
  H         2.4731775016        6.1281817372        2.9861683941
  H         1.9459299813        6.0502249359        1.5619889602
  O        10.2548458620        5.0934367457       11.2577426905
  H        10.2540321896        4.1129157429       11.4553753907
  H         9.6808671041        5.1854293488       10.4596437921
  O         5.1106379247       13.2751272637        7.6022989312
  H         5.5391154546       13.6491344481        8.2892699218
  H         5.7516368046       13.2991565221        6.8766011962
  O         1.0566328991        2.9646222783        0.1102722358
  H         1.0259477322        3.2205195484        1.0128405999
  H         1.3196725751        3.8208091252       -0.3344229158
  O        11.1371173585        7.5145799607        7.4092070605
  H        10.7523419714        7.3736495242        6.6243540299
  H        11.8168008218        8.2272093154        7.2354562091
  O         3.2747053322        5.3706757084       12.0307084557
  H         3.5781044471        4.4331041012       12.2007333320
  H         3.8954113041        5.8395143828       11.4022866550
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 223
  O        11.5297334725        7.2249081883       -0.0276137700
  H        10.7907353951        7.4482571459        0.6077593739
  H        11.1241555232        6.8294384010       -0.8237289812
  O         2.3076672922        5.5492253289        2.2927601624
  H         2.4731775016        6.1281817372        2.9861683941
  H         1.9459299813        6.0502249359        1.5619889602
  O        10.2548458620        5.0934367457       11.2577426905
  H        10.2540321896        4.1129157429       11.4553753907
  H         9.6808671041        5.1854293488       10.4596437921
  O         5.1106379247       13.2751272637        7.6022989312
  H         5.5391154546       13.6491344481        8.2892699218
  H         5.7516368046       13.2991565221        6.8766011962
  O         1.0566328991        2.9646222783        0.1102722358
  H         1.0259477322        3.2205195484        1.0128405999
  H         1.3196725751        3.8208091252       -0.3344229158
  O        11.1371173585        7.5145799607        7.4092070605
  H        10.7523419714        7.3736495242        6.6243540299
  H        11.8168008218        8.2272093154        7.2354562091
  O         3.2747053322        5.3706757084       12.0307084557
  H         3.5781044471        4.4331041012       12.2007333320
  H         3.8954113041        5.8395143828       11.4022866550
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 224
  O        11.5297334725        7.2249081883       -0.0276137700
  H        10.7907353951        7.4482571459        0.6077593739
  H        11.1241555232        6.8294384010       -0.8237289812
  O         2.3076672922        5.5492253289        2.2927601624
  H         2.4731775016        6.1281817372        2.9861683941
  H         1.9459299813        6.0502249359        1.5619889602
  O        10.2548458620        5.0934367457       11.2577426905
  H        10.2540321896        4.1129157429       11.4553753907
  H         9.6808671041        5.1854293488       10.4596437921
  O         5.1106379247       13.2751272637        7.6022989312
  H         5.5391154546       13.6491344481        8.2892699218
  H         5.7516368046       13.2991565221        6.8766011962
  O         1.0566328991        2.9646222783        0.1102722358
  H         1.0259477322        3.2205195484        1.0128405999
  H         1.3196725751        3.8208091252       -0.3344229158
  O        11.1371173585        7.5145799607        7.4092070605
  H        10.7523419714        7.3736495242        6.6243540299
  H        11.8168008218        8.2272093154        7.2354562091
  O         3.2747053322        5.3706757084       12.0307084557
  H         3.5781044471        4.4331041012       12.2007333320
  H         3.8954113041        5.8395143828       11.4022866550
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 225
  O        11.5204567039        7.2498447604       -0.0276137700
  H        10.7540218027        7.1572140018        0.6077593739
  H        11.3081138889        6.7246777827       -0.8237289812
  O         2.3076672922        5.5492253289        2.2927601624
  H         2.4731775016        6.1281817372        2.9861683941
  H         1.9459299813        6.0502249359        1.5619889602
  O        10.2548458620        5.0934367457       11.2577426905
  H        10.2540321896        4.1129157429       11.4553753907
  H         9.6808671041        5.1854293488       10.4596437921
  O         5.1106379247       13.2751272637        7.6022989312
  H         5.5391154546       13.6491344481        8.2892699218
  H         5.7516368046       13.2991565221        6.8766011962
  O         1.0566328991        2.9646222783        0.1102722358
  H         1.0259477322        3.2205195484        1.0128405999
  H         1.3196725751        3.8208091252       -0.3344229158
  O        11.1371173585        7.5145799607        7.4092070605
  H        10.7523419714        7.3736495242        6.6243540299
  H        11.8168008218        8.2272093154        7.2354562091
  O         3.2747053322        5.3706757084       12.0307084557
  H         3.5781044471        4.4331041012       12.2007333320
  H         3.8954113041        5.8395143828       11.4022866550
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4300000000        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 226
  O        11.5204567039        7.2498447604       -0.0276137700
  H        10.7540218027        7.1572140018        0.6077593739
  H        11.3081138889        6.7246777827       -0.8237289812
  O         2.3076672922        5.5492253289        2.2927601624
  H         2.4731775016        6.1281817372        2.9861683941
  H         1.9459299813        6.0502249359        1.5619889602
  O        10.2548458620        5.0934367457       11.2577426905
  H        10.2540321896        4.1129157429       11.4553753907
  H         9.6808671041        5.1854293488       10.4596437921
  O         5.1106379247       13.2751272637        7.6022989312
  H         5.5391154546       13.6491344481        8.2892699218
  H         5.7516368046       13.2991565221        6.8766011962
  O         1.0566328991        2.9646222783        0.1102722358
  H         1.0259477322        3.2205195484        1.0128405999
  H         1.3196725751        3.8208091252       -0.3344229158
  O        11.1371173585        7.5145799607        7.4092070605
  H        10.7523419714        7.3736495242        6.6243540299
  H        11.8168008218        8.2272093154        7.2354562091
  O         3.2747053322        5.3706757084       12.0307084557
  H         3.5781044471        4.4331041012       12.2007333320
  H         3.8954113041        5.8395143828       11.4022866550
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 227
  O        11.5204567039        7.2498447604       -0.0276137700
  H        10.7540218027        7.1572140018        0.6077593739
  H        11.3081138889        6.7246777827       -0.8237289812
  O         2.3076672922        5.5492253289        2.2927601624
  H         2.4731775016        6.1281817372        2.9861683941
  H         1.9459299813        6.0502249359        1.5619889602
  O        10.2548458620        5.0934367457       11.2577426905
  H        10.2540321896        4.1129157429       11.4553753907
  H         9.6808671041        5.1854293488       10.4596437921
  O         5.1106379247       13.2751272637        7.6022989312
  H         5.5391154546       13.6491344481        8.2892699218
  H         5.7516368046       13.2991565221        6.8766011962
  O         1.0566328991        2.9646222783        0.1102722358
  H         1.0259477322        3.2205195484        1.0128405999
  H         1.3196725751        3.8208091252       -0.3344229158
  O        11.1371173585        7.5145799607        7.4092070605
  H        10.7523419714        7.3736495242        6.6243540299
  H        11.8168008218        8.2272093154        7.2354562091
  O         3.2907127808        5.3901322224       12.0307084557
  H         3.1677546825        4.4123935827       12.2007333320
  H         4.0516841114        5.5514029270       11.4022866550
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 228
  O        11.5204567039        7.2498447604       -0.0276137700
  H        10.7540218027        7.1572140018        0.6077593739
  H        11.3081138889        6.7246777827       -0.8237289812
  O         1.7883114425        5.5492253289        2.2927601624
  H         1.9538216519        6.1281817372        2.9861683941
  H         1.4265741316        6.0502249359        1.5619889602
  O        10.2548458620        5.0934367457       11.2577426905
  H        10.2540321896        4.1129157429       11.4553753907
  H         9.6808671041        5.1854293488       10.4596437921
  O         5.1106379247       13.2751272637        7.6022989312
  H         5.5391154546       13.6491344481        8.2892699218
  H         5.7516368046       13.2991565221        6.8766011962
  O         1.0566328991        2.9646222783        0.1102722358
  H         1.0259477322        3.2205195484        1.0128405999
  H         1.3196725751        3.8208091252       -0.3344229158
  O        11.1371173585        7.5145799607        7.4092070605
  H        10.7523419714        7.3736495242        6.6243540299
  H        11.8168008218        8.2272093154        7.2354562091
  O         3.2907127808        5.3901322224       12.0307084557
  H         3.1677546825        4.4123935827       12.2007333320
  H         4.0516841114        5.5514029270       11.4022866550
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 229
  O        11.5204567039        7.2498447604       -0.0276137700
  H        10.7540218027        7.1572140018        0.6077593739
  H        11.3081138889        6.7246777827       -0.8237289812
  O         1.7883114425        5.5492253289        2.2927601624
  H         1.9538216519        6.1281817372        2.9861683941
  H         1.4265741316        6.0502249359        1.5619889602
  O        10.2548458620        5.0934367457       11.2577426905
  H        10.2540321896        4.1129157429       11.4553753907
  H         9.6808671041        5.1854293488       10.4596437921
  O         5.1106379247       13.2751272637        7.6022989312
  H         5.5391154546       13.6491344481        8.2892699218
  H         5.7516368046       13.2991565221        6.8766011962
  O         1.0566328991        2.9776781894        0.0899494748
  H         1.0259477322        2.8983592839        1.0247337150
  H         1.3196725751        3.9357404775       -0.0237446186
  O        11.1371173585        7.5145799607        7.4092070605
  H        10.7523419714        7.3736495242        6.6243540299
  H        11.8168008218        8.2272093154        7.2354562091
  O         3.2907127808        5.3901322224       12.0307084557
  H         3.1677546825        4.4123935827       12.2007333320
  H         4.0516841114        5.5514029270       11.4022866550
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 230
  O        11.5204567039        7.2498447604       -0.0276137700
  H        10.7540218027        7.1572140018        0.6077593739
  H        11.3081138889        6.7246777827       -0.8237289812
  O         1.7883114425        5.5492253289        2.2927601624
  H         1.9538216519        6.1281817372        2.9861683941
  H         1.4265741316        6.0502249359        1.5619889602
  O        10.2548458620        5.0934367457       11.2577426905
  H        10.2540321896        4.1129157429       11.4553753907
  H         9.6808671041        5.1854293488       10.4596437921
  O         5.1106379247       13.2751272637        7.6022989312
  H         5.5391154546       13.6491344481        8.2892699218
  H         5.7516368046       13.2991565221        6.8766011962
  O         1.0566328991        2.9776781894        0.0899494748
  H         1.0259477322        2.8983592839        1.0247337150
  H         1.3196725751        3.9357404775       -0.0237446186
  O        11.1371173585        7.5145799607        7.4092070605
  H        10.7523419714        7.3736495242        6.6243540299
  H        11.8168008218        8.2272093154        7.2354562091
  O         3.2907127808        5.3916964400       12.0276979944
  H         3.1677546825        4.4270120562       12.2606472287
  H         4.0516841114        5.5119565336       11.3901560666
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 231
  O        11.5204567039        7.2498447604       -0.0276137700
  H        10.7540218027        7.1572140018        0.6077593739
  H        11.3081138889        6.7246777827       -0.8237289812
  O         1.7883114425        5.5492253289        2.2927601624
  H         1.9538216519        6.1281817372        2.9861683941
  H         1.4265741316        6.0502249359        1.5619889602
  O        10.2548458620        5.0934367457       11.2577426905
  H        10.2540321896        4.1129157429       11.4553753907
  H         9.6808671041        5.1854293488       10.4596437921
  O         5.1106379247       13.2751272637        7.6022989312
  H         5.5391154546       13.6491344481        8.2892699218
  H         5.7516368046       13.2991565221        6.8766011962
  O         1.0566328991        3.4564945404        0.0899494748
  H         1.0259477322        3.3771756349        1.0247337150
  H         1.3196725751        4.4145568285       -0.0237446186
  O        11.1371173585        7.5145799607        7.4092070605
  H        10.7523419714        7.3736495242        6.6243540299
  H        11.8168008218        8.2272093154        7.2354562091
  O         3.2907127808        5.3916964400       12.0276979944
  H         3.1677546825        4.4270120562       12.2606472287
  H         4.0516841114        5.5119565336       11.3901560666
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 232
  O        11.5204567039        7.2498447604       -0.0276137700
  H        10.7540218027        7.1572140018        0.6077593739
  H        11.3081138889        6.7246777827       -0.8237289812
  O         1.7883114425        5.3370470194        2.2927601624
  H         1.9538216519        5.9160034277        2.9861683941
  H         1.4265741316        5.8380466264        1.5619889602
  O        10.2548458620        5.0934367457       11.2577426905
  H        10.2540321896        4.1129157429       11.4553753907
  H         9.6808671041        5.1854293488       10.4596437921
  O         5.1106379247       13.2751272637        7.6022989312
  H         5.5391154546       13.6491344481        8.2892699218
  H         5.7516368046       13.2991565221        6.8766011962
  O         1.0566328991        3.4564945404        0.0899494748
  H         1.0259477322        3.3771756349        1.0247337150
  H         1.3196725751        4.4145568285       -0.0237446186
  O        11.1371173585        7.5145799607        7.4092070605
  H        10.7523419714        7.3736495242        6.6243540299
  H        11.8168008218        8.2272093154        7.2354562091
  O         3.2907127808        5.3916964400       12.0276979944
  H         3.1677546825        4.4270120562       12.2606472287
  H         4.0516841114        5.5119565336       11.3901560666
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 233
  O        11.5204567039        7.2498447604       -0.0276137700
  H        10.7540218027        7.1572140018        0.6077593739
  H        11.3081138889        6.7246777827       -0.8237289812
  O         1.7883114425        5.3370470194        2.2927601624
  H         1.9538216519        5.9160034277        2.9861683941
  H         1.4265741316        5.8380466264        1.5619889602
  O        10.2548458620        5.0934367457       11.2577426905
  H        10.2540321896        4.1129157429       11.4553753907
  H         9.6808671041        5.1854293488       10.4596437921
  O         5.1106379247       13.2751272637        7.6022989312
  H         5.5391154546       13.6491344481        8.2892699218
  H         5.7516368046       13.2991565221        6.8766011962
  O         1.0566328991        3.4564945404        0.0899494748
  H         1.0259477322        3.3771756349        1.0247337150
  H         1.3196725751        4.4145568285       -0.0237446186
  O        11.1478244327        7.5110441447        7.4092070605
  H        10.8255359308        7.2579757586        6.6243540299
  H        11.5736596772        8.3990050402        7.2354562091
  O         3.2907127808        5.3916964400       12.0276979944
  H         3.1677546825        4.4270120562       12.2606472287
  H         4.0516841114        5.5119565336       11.3901560666
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 234
  O        11.5204567039        7.2498447604       -0.0276137700
  H        10.7540218027        7.1572140018        0.6077593739
  H        11.3081138889        6.7246777827       -0.8237289812
  O         1.7883114425        5.3370470194        2.2927601624
  H         1.9538216519        5.9160034277        2.9861683941
  H         1.4265741316        5.8380466264        1.5619889602
  O        10.2548458620        5.0934367457       11.2577426905
  H        10.2540321896        4.1129157429       11.4553753907
  H         9.6808671041        5.1854293488       10.4596437921
  O         5.1106379247       13.2751272637        7.6022989312
  H         5.5391154546       13.6491344481        8.2892699218
  H         5.7516368046       13.2991565221        6.8766011962
  O         1.0566328991        3.4564945404        0.0899494748
  H         1.0259477322        3.3771756349        1.0247337150
  H         1.3196725751        4.4145568285       -0.0237446186
  O        11.1478244327        7.5110441447        7.4092070605
  H        10.8255359308        7.2579757586        6.6243540299
  H        11.5736596772        8.3990050402        7.2354562091
  O         3.2907127808        5.3916964400       12.0276979944
  H         3.1677546825        4.4270120562       12.2606472287
  H         4.0516841114        5.5119565336       11.3901560666
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 235
  O        11.5204567039        7.2498447604       -0.0276137700
  H        10.7540218027        7.1572140018        0.6077593739
  H        11.3081138889        6.7246777827       -0.8237289812
  O         1.7883114425        5.3370470194        2.2927601624
  H         1.9538216519        5.9160034277        2.9861683941
  H         1.4265741316        5.8380466264        1.5619889602
  O        10.2548458620        5.0934367457       11.2577426905
  H        10.2540321896        4.1129157429       11.4553753907
  H         9.6808671041        5.1854293488       10.4596437921
  O         5.1106379247       13.2751272637        7.6022989312
  H         5.5391154546       13.6491344481        8.2892699218
  H         5.7516368046       13.2991565221        6.8766011962
  O         1.0566328991        3.4564945404        0.0899494748
  H         1.0259477322        3.3771756349        1.0247337150
  H         1.3196725751        4.4145568285       -0.0237446186
  O        11.1478244327        7.5110441447        7.4092070605
  H        10.8255359308        7.2579757586        6.6243540299
  H        11.5736596772        8.3990050402        7.2354562091
  O         3.2906449084        5.3911639380       12.0278265815
  H         3.1688998539        4.4359966536       12.2584776537
  H         4.0516162390        5.5114240317       11.3902846537
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.3024740908
      27
BOX 1,  STEP 236
  O        11.5204567039        7.2498447604       -0.0276137700
  H        10.7540218027        7.1572140018        0.6077593739
  H        11.3081138889        6.7246777827       -0.8237289812
  O         1.7883114425        5.3370470194        2.2927601624
  H         1.9538216519        5.9160034277        2.9861683941
  H         1.4265741316        5.8380466264        1.5619889602
  O        10.2548458620        5.0934367457       11.2577426905
  H        10.2540321896        4.1129157429       11.4553753907
  H         9.6808671041        5.1854293488       10.4596437921
  O         5.1106379247       13.2751272637        7.6022989312
  H         5.5391154546       13.6491344481        8.2892699218
  H         5.7516368046       13.2991565221        6.8766011962
  O         1.0566328991        3.4564945404        0.0899494748
  H         1.0259477322        3.3771756349        1.0247337150
  H         1.3196725751        4.4145568285       -0.0237446186
  O        11.1478244327        7.5110441447        7.4092070605
  H        10.8255359308        7.2579757586        6.6243540299
  H        11.5736596772        8.3990050402        7.2354562091
  O         3.2906449084        5.3911639380       12.0278265815
  H         3.1688998539        4.4359966536       12.2584776537
  H         4.0516162390        5.5114240317       11.3902846537
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.7902832285
      27
BOX 1,  STEP 237
  O        11.5204567039        7.2498447604       -0.0276137700
  H        10.7540218027        7.1572140018        0.6077593739
  H        11.3081138889        6.7246777827       -0.8237289812
  O         1.7883114425        5.3370470194        2.2927601624
  H         1.9538216519        5.9160034277        2.9861683941
  H         1.4265741316        5.8380466264        1.5619889602
  O        10.2310924741        5.1023324579       11.2577426905
  H        10.6406378351        4.2114370116       11.4553753907
  H         9.6712852228        4.9457115944       10.4596437921
  O         5.1106379247       13.2751272637        7.6022989312
  H         5.5391154546       13.6491344481        8.2892699218
  H         5.7516368046       13.2991565221        6.8766011962
  O         1.0566328991        3.4564945404        0.0899494748
  H         1.0259477322        3.3771756349        1.0247337150
  H         1.3196725751        4.4145568285       -0.0237446186
  O        11.1478244327        7.5110441447        7.4092070605
  H        10.8255359308        7.2579757586        6.6243540299
  H        11.5736596772        8.3990050402        7.2354562091
  O         3.2906449084        5.3911639380       12.0278265815
  H         3.1688998539        4.4359966536       12.2584776537
  H         4.0516162390        5.5114240317       11.3902846537
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.7902832285
      27
BOX 1,  STEP 238
  O        11.5204567039        7.2498447604       -0.0276137700
  H        10.7540218027        7.1572140018        0.6077593739
  H        11.3081138889        6.7246777827       -0.8237289812
  O         1.7883114425        5.3370470194        2.2927601624
  H         1.9538216519        5.9160034277        2.9861683941
  H         1.4265741316        5.8380466264        1.5619889602
  O        10.2310924741        5.1023324579       11.2577426905
  H        10.6406378351        4.2114370116       11.4553753907
  H         9.6712852228        4.9457115944       10.4596437921
  O         5.1106379247       13.2751272637        7.6022989312
  H         5.5391154546       13.6491344481        8.2892699218
  H         5.7516368046       13.2991565221        6.8766011962
  O         1.0566328991        3.4564945404        0.0899494748
  H         1.0259477322        3.3771756349        1.0247337150
  H         1.3196725751        4.4145568285       -0.0237446186
  O        11.1478244327        7.5110441447        7.4092070605
  H        10.8255359308        7.2579757586        6.6243540299
  H        11.5736596772        8.3990050402        7.2354562091
  O         3.2906449084        5.3911639380       12.0278265815
  H         3.1688998539        4.4359966536       12.2584776537
  H         4.0516162390        5.5114240317       11.3902846537
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.4686768661
      27
BOX 1,  STEP 239
  O        11.5204567039        7.2498447604       -0.0276137700
  H        10.7540218027        7.1572140018        0.6077593739
  H        11.3081138889        6.7246777827       -0.8237289812
  O         1.7883787060        5.3370470194        2.2923692741
  H         1.9783884306        5.9160034277        2.9794681823
  H         1.4009397183        5.8380466264        1.5748935164
  O        10.2310924741        5.1023324579       11.2577426905
  H        10.6406378351        4.2114370116       11.4553753907
  H         9.6712852228        4.9457115944       10.4596437921
  O         5.1106379247       13.2751272637        7.6022989312
  H         5.5391154546       13.6491344481        8.2892699218
  H         5.7516368046       13.2991565221        6.8766011962
  O         1.0566328991        3.4564945404        0.0899494748
  H         1.0259477322        3.3771756349        1.0247337150
  H         1.3196725751        4.4145568285       -0.0237446186
  O        11.1478244327        7.5110441447        7.4092070605
  H        10.8255359308        7.2579757586        6.6243540299
  H        11.5736596772        8.3990050402        7.2354562091
  O         3.2906449084        5.3911639380       12.0278265815
  H         3.1688998539        4.4359966536       12.2584776537
  H         4.0516162390        5.5114240317       11.3902846537
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.4686768661
      27
BOX 1,  STEP 240
  O        11.5204567039        7.2498447604       -0.0276137700
  H        10.7540218027        7.1572140018        0.6077593739
  H        11.3081138889        6.7246777827       -0.8237289812
  O         1.7883787060        5.3370470194        2.2923692741
  H         1.9783884306        5.9160034277        2.9794681823
  H         1.4009397183        5.8380466264        1.5748935164
  O        10.2310924741        5.1023324579       11.2577426905
  H        10.6406378351        4.2114370116       11.4553753907
  H         9.6712852228        4.9457115944       10.4596437921
  O         5.1106379247       13.2753191032        7.5964984506
  H         5.5391154546       13.4600727536        8.3565488466
  H         5.7516368046       13.4851732605        6.9013899407
  O         1.0566328991        3.4564945404        0.0899494748
  H         1.0259477322        3.3771756349        1.0247337150
  H         1.3196725751        4.4145568285       -0.0237446186
  O        11.1478244327        7.5110441447        7.4092070605
  H        10.8255359308        7.2579757586        6.6243540299
  H        11.5736596772        8.3990050402        7.2354562091
  O         3.2906449084        5.3911639380       12.0278265815
  H         3.1688998539        4.4359966536       12.2584776537
  H         4.0516162390        5.5114240317       11.3902846537
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.3969681021
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.4686768661
      27
BOX 1,  STEP 241
  O        11.5204567039        7.2498447604       -0.0276137700
  H        10.7540218027        7.1572140018        0.6077593739
  H        11.3081138889        6.7246777827       -0.8237289812
  O         1.7883787060        5.3370470194        2.2923692741
  H         1.9783884306        5.9160034277        2.9794681823
  H         1.4009397183        5.8380466264        1.5748935164
  O        10.2310924741        5.1023324579       11.2577426905
  H        10.6406378351        4.2114370116       11.4553753907
  H         9.6712852228        4.9457115944       10.4596437921
  O         5.1106379247       13.2753191032        7.5964984506
  H         5.5391154546       13.4600727536        8.3565488466
  H         5.7516368046       13.4851732605        6.9013899407
  O         1.0566328991        3.4564945404        0.0899494748
  H         1.0259477322        3.3771756349        1.0247337150
  H         1.3196725751        4.4145568285       -0.0237446186
  O        11.1478244327        7.5110441447        7.4092070605
  H        10.8255359308        7.2579757586        6.6243540299
  H        11.5736596772        8.3990050402        7.2354562091
  O         3.2906449084        5.3911639380       12.0278265815
  H         3.1688998539        4.4359966536       12.2584776537
  H         4.0516162390        5.5114240317       11.3902846537
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.5616634327
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.4686768661
      27
BOX 1,  STEP 242
  O        11.5204567039        7.2498447604       -0.0276137700
  H        10.7540218027        7.1572140018        0.6077593739
  H        11.3081138889        6.7246777827       -0.8237289812
  O         1.7883787060        5.3370470194        2.2923692741
  H         1.9783884306        5.9160034277        2.9794681823
  H         1.4009397183        5.8380466264        1.5748935164
  O        10.2310924741        5.1023324579       11.2577426905
  H        10.6406378351        4.2114370116       11.4553753907
  H         9.6712852228        4.9457115944       10.4596437921
  O         5.1106379247       13.2753191032        7.5964984506
  H         5.5391154546       13.4600727536        8.3565488466
  H         5.7516368046       13.4851732605        6.9013899407
  O         1.0566328991        3.4564945404        0.0899494748
  H         1.0259477322        3.3771756349        1.0247337150
  H         1.3196725751        4.4145568285       -0.0237446186
  O        11.1399339948        7.5132775351        7.4092070605
  H        10.7687279083        7.3397277503        6.6243540299
  H        11.7557080494        8.2818037358        7.2354562091
  O         3.2906449084        5.3911639380       12.0278265815
  H         3.1688998539        4.4359966536       12.2584776537
  H         4.0516162390        5.5114240317       11.3902846537
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.5616634327
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.4686768661
      27
BOX 1,  STEP 243
  O        11.5204567039        7.2498447604       -0.0276137700
  H        10.7540218027        7.1572140018        0.6077593739
  H        11.3081138889        6.7246777827       -0.8237289812
  O         1.7883787060        5.3370470194        2.2923692741
  H         1.9783884306        5.9160034277        2.9794681823
  H         1.4009397183        5.8380466264        1.5748935164
  O        10.2310924741        5.1023324579       11.2577426905
  H        10.6406378351        4.2114370116       11.4553753907
  H         9.6712852228        4.9457115944       10.4596437921
  O         5.1106379247       13.2753191032        7.5964984506
  H         5.5391154546       13.4600727536        8.3565488466
  H         5.7516368046       13.4851732605        6.9013899407
  O         1.0566328991        3.4564945404        0.0899494748
  H         1.0259477322        3.3771756349        1.0247337150
  H         1.3196725751        4.4145568285       -0.0237446186
  O        11.1399339948        7.5132775351        7.4092070605
  H        10.7687279083        7.3397277503        6.6243540299
  H        11.7557080494        8.2818037358        7.2354562091
  O         3.2906449084        5.3911639380       12.0278265815
  H         3.1688998539        4.4359966536       12.2584776537
  H         4.0516162390        5.5114240317       11.3902846537
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.5616634327
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.4686768661
      27
BOX 1,  STEP 244
  O        11.5204567039        7.2498447604       -0.0276137700
  H        10.7540218027        7.1572140018        0.6077593739
  H        11.3081138889        6.7246777827       -0.8237289812
  O         1.7883787060        5.3370470194        2.2923692741
  H         1.9783884306        5.9160034277        2.9794681823
  H         1.4009397183        5.8380466264        1.5748935164
  O        10.2310924741        5.1023324579       11.2577426905
  H        10.6406378351        4.2114370116       11.4553753907
  H         9.6712852228        4.9457115944       10.4596437921
  O         5.1106379247       13.2753191032        7.5964984506
  H         5.5391154546       13.4600727536        8.3565488466
  H         5.7516368046       13.4851732605        6.9013899407
  O         1.0566328991        3.4564945404        0.0899494748
  H         1.0259477322        3.3771756349        1.0247337150
  H         1.3196725751        4.4145568285       -0.0237446186
  O        11.1399339948        7.5132775351        7.4092070605
  H        10.7687279083        7.3397277503        6.6243540299
  H        11.7557080494        8.2818037358        7.2354562091
  O         3.2906449084        5.3911639380       12.0278265815
  H         3.1688998539        4.4359966536       12.2584776537
  H         4.0516162390        5.5114240317       11.3902846537
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.5616634327
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.4686768661
      27
BOX 1,  STEP 245
  O        11.5204567039        7.2498447604       -0.0276137700
  H        10.7540218027        7.1572140018        0.6077593739
  H        11.3081138889        6.7246777827       -0.8237289812
  O         1.7883787060        5.3370470194        2.2923692741
  H         1.9783884306        5.9160034277        2.9794681823
  H         1.4009397183        5.8380466264        1.5748935164
  O        10.2310924741        5.1023324579       11.2577426905
  H        10.6406378351        4.2114370116       11.4553753907
  H         9.6712852228        4.9457115944       10.4596437921
  O         5.1106379247       13.2753191032        7.5964984506
  H         5.5391154546       13.4600727536        8.3565488466
  H         5.7516368046       13.4851732605        6.9013899407
  O         1.0566328991        3.4564945404        0.0899494748
  H         1.0259477322        3.3771756349        1.0247337150
  H         1.3196725751        4.4145568285       -0.0237446186
  O        11.1399339948        7.5132775351        7.4092070605
  H        10.7687279083        7.3397277503        6.6243540299
  H        11.7557080494        8.2818037358        7.2354562091
  O         3.2906449084        5.3911639380       12.0278265815
  H         3.1688998539        4.4359966536       12.2584776537
  H         4.0516162390        5.5114240317       11.3902846537
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.5616634327
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.4686768661
      27
BOX 1,  STEP 246
  O        11.5203236661        7.2500546393       -0.0276137700
  H        10.7542498331        7.1544837352        0.6077593739
  H        11.3099974913        6.7240767635       -0.8237289812
  O         1.7883787060        5.3370470194        2.2923692741
  H         1.9783884306        5.9160034277        2.9794681823
  H         1.4009397183        5.8380466264        1.5748935164
  O        10.2310924741        5.1023324579       11.2577426905
  H        10.6406378351        4.2114370116       11.4553753907
  H         9.6712852228        4.9457115944       10.4596437921
  O         5.1106379247       13.2753191032        7.5964984506
  H         5.5391154546       13.4600727536        8.3565488466
  H         5.7516368046       13.4851732605        6.9013899407
  O         1.0566328991        3.4564945404        0.0899494748
  H         1.0259477322        3.3771756349        1.0247337150
  H         1.3196725751        4.4145568285       -0.0237446186
  O        11.1399339948        7.5132775351        7.4092070605
  H        10.7687279083        7.3397277503        6.6243540299
  H        11.7557080494        8.2818037358        7.2354562091
  O         3.2906449084        5.3911639380       12.0278265815
  H         3.1688998539        4.4359966536       12.2584776537
  H         4.0516162390        5.5114240317       11.3902846537
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.5616634327
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.4686768661
      27
BOX 1,  STEP 247
  O        11.5203236661        7.2500546393       -0.0276137700
  H        10.7542498331        7.1544837352        0.6077593739
  H        11.3099974913        6.7240767635       -0.8237289812
  O         1.7883787060        5.3370470194        2.2923692741
  H         1.9783884306        5.9160034277        2.9794681823
  H         1.4009397183        5.8380466264        1.5748935164
  O        10.2310924741        5.1023324579       11.2420963804
  H        10.6406378351        4.2114370116       11.4397290806
  H         9.6712852228        4.9457115944       10.4439974820
  O         5.1106379247       13.2753191032        7.5964984506
  H         5.5391154546       13.4600727536        8.3565488466
  H         5.7516368046       13.4851732605        6.9013899407
  O         1.0566328991        3.4564945404        0.0899494748
  H         1.0259477322        3.3771756349        1.0247337150
  H         1.3196725751        4.4145568285       -0.0237446186
  O        11.1399339948        7.5132775351        7.4092070605
  H        10.7687279083        7.3397277503        6.6243540299
  H        11.7557080494        8.2818037358        7.2354562091
  O         3.2906449084        5.3911639380       12.0278265815
  H         3.1688998539        4.4359966536       12.2584776537
  H         4.0516162390        5.5114240317       11.3902846537
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.5616634327
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.4686768661
      27
BOX 1,  STEP 248
  O        11.5203236661        7.2500546393       -0.0276137700
  H        10.7542498331        7.1544837352        0.6077593739
  H        11.3099974913        6.7240767635       -0.8237289812
  O         1.7621005584        5.3379639624        2.2923692741
  H         2.1767841235        5.7844298165        2.9794681823
  H         1.6196418385        5.9550661326        1.5748935164
  O        10.2310924741        5.1023324579       11.2420963804
  H        10.6406378351        4.2114370116       11.4397290806
  H         9.6712852228        4.9457115944       10.4439974820
  O         5.1106379247       13.2753191032        7.5964984506
  H         5.5391154546       13.4600727536        8.3565488466
  H         5.7516368046       13.4851732605        6.9013899407
  O         1.0566328991        3.4564945404        0.0899494748
  H         1.0259477322        3.3771756349        1.0247337150
  H         1.3196725751        4.4145568285       -0.0237446186
  O        11.1399339948        7.5132775351        7.4092070605
  H        10.7687279083        7.3397277503        6.6243540299
  H        11.7557080494        8.2818037358        7.2354562091
  O         3.2906449084        5.3911639380       12.0278265815
  H         3.1688998539        4.4359966536       12.2584776537
  H         4.0516162390        5.5114240317       11.3902846537
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.5616634327
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.4686768661
      27
BOX 1,  STEP 249
  O        11.5203236661        7.2500546393       -0.0276137700
  H        10.7542498331        7.1544837352        0.6077593739
  H        11.3099974913        6.7240767635       -0.8237289812
  O         1.7621005584        5.3379639624        2.2923692741
  H         2.1767841235        5.7844298165        2.9794681823
  H         1.6196418385        5.9550661326        1.5748935164
  O        10.2310924741        5.1023324579       11.2420963804
  H        10.6406378351        4.2114370116       11.4397290806
  H         9.6712852228        4.9457115944       10.4439974820
  O         5.1106379247       13.2753191032        7.5964984506
  H         5.5391154546       13.4600727536        8.3565488466
  H         5.7516368046       13.4851732605        6.9013899407
  O         1.0566328991        3.4564945404        0.0899494748
  H         1.0259477322        3.3771756349        1.0247337150
  H         1.3196725751        4.4145568285       -0.0237446186
  O        11.1399339948        7.5132775351        7.4092070605
  H        10.7687279083        7.3397277503        6.6243540299
  H        11.7557080494        8.2818037358        7.2354562091
  O         3.2906449084        5.3911639380       12.0278265815
  H         3.1688998539        4.4359966536       12.2584776537
  H         4.0516162390        5.5114240317       11.3902846537
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.5616634327
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.4686768661
      27
BOX 1,  STEP 250
  O        11.5203236661        7.2500546393       -0.0276137700
  H        10.7542498331        7.1544837352        0.6077593739
  H        11.3099974913        6.7240767635       -0.8237289812
  O         1.7621005584        5.3379639624        2.2923692741
  H         2.1767841235        5.7844298165        2.9794681823
  H         1.6196418385        5.9550661326        1.5748935164
  O        10.2310924741        5.1023324579       11.2420963804
  H        10.6406378351        4.2114370116       11.4397290806
  H         9.6712852228        4.9457115944       10.4439974820
  O         5.1106379247       13.2753191032        7.5964984506
  H         5.5391154546       13.4600727536        8.3565488466
  H         5.7516368046       13.4851732605        6.9013899407
  O         1.0566328991        3.4564945404        0.0899494748
  H         1.0259477322        3.3771756349        1.0247337150
  H         1.3196725751        4.4145568285       -0.0237446186
  O        11.1399339948        7.5132775351        7.4092070605
  H        10.7687279083        7.3397277503        6.6243540299
  H        11.7557080494        8.2818037358        7.2354562091
  O         3.2906449084        5.3911639380       12.0278265815
  H         3.1688998539        4.4359966536       12.2584776537
  H         4.0516162390        5.5114240317       11.3902846537
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.5616634327
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.4686768661
      27
BOX 1,  STEP 251
  O        11.5203236661        7.2500546393       -0.0276137700
  H        10.7542498331        7.1544837352        0.6077593739
  H        11.3099974913        6.7240767635       -0.8237289812
  O         1.7621005584        5.3379639624        2.2923692741
  H         2.1767841235        5.7844298165        2.9794681823
  H         1.6196418385        5.9550661326        1.5748935164
  O        10.2310924741        5.1023324579       11.2420963804
  H        10.6406378351        4.2114370116       11.4397290806
  H         9.6712852228        4.9457115944       10.4439974820
  O         5.1106379247       13.2753191032        7.5964984506
  H         5.5391154546       13.4600727536        8.3565488466
  H         5.7516368046       13.4851732605        6.9013899407
  O         1.0566328991        3.4564945404        0.0899494748
  H         1.0259477322        3.3771756349        1.0247337150
  H         1.3196725751        4.4145568285       -0.0237446186
  O        11.1399339948        7.5132775351        7.4092070605
  H        10.7687279083        7.3397277503        6.6243540299
  H        11.7557080494        8.2818037358        7.2354562091
  O         3.2906449084        5.3911639380       12.0278265815
  H         3.1688998539        4.4359966536       12.2584776537
  H         4.0516162390        5.5114240317       11.3902846537
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.5616634327
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.4686768661
      27
BOX 1,  STEP 252
  O        11.5203236661        7.2500546393       -0.0276137700
  H        10.7542498331        7.1544837352        0.6077593739
  H        11.3099974913        6.7240767635       -0.8237289812
  O         1.7621005584        5.3379639624        1.8864100410
  H         2.1767841235        5.7844298165        2.5735089493
  H         1.6196418385        5.9550661326        1.1689342833
  O        10.2310924741        5.1023324579       11.2420963804
  H        10.6406378351        4.2114370116       11.4397290806
  H         9.6712852228        4.9457115944       10.4439974820
  O         5.1106379247       13.2753191032        7.5964984506
  H         5.5391154546       13.4600727536        8.3565488466
  H         5.7516368046       13.4851732605        6.9013899407
  O         1.0566328991        3.4564945404        0.0899494748
  H         1.0259477322        3.3771756349        1.0247337150
  H         1.3196725751        4.4145568285       -0.0237446186
  O        11.1399339948        7.5132775351        7.4092070605
  H        10.7687279083        7.3397277503        6.6243540299
  H        11.7557080494        8.2818037358        7.2354562091
  O         3.2906449084        5.3911639380       12.0278265815
  H         3.1688998539        4.4359966536       12.2584776537
  H         4.0516162390        5.5114240317       11.3902846537
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.5616634327
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.4686768661
      27
BOX 1,  STEP 253
  O        11.5203236661        7.2500546393       -0.0276137700
  H        10.7542498331        7.1544837352        0.6077593739
  H        11.3099974913        6.7240767635       -0.8237289812
  O         1.7621005584        5.3379639624        1.8864100410
  H         2.1767841235        5.7844298165        2.5735089493
  H         1.6196418385        5.9550661326        1.1689342833
  O        10.2310924741        5.1023324579       11.2420963804
  H        10.6406378351        4.2114370116       11.4397290806
  H         9.6712852228        4.9457115944       10.4439974820
  O         5.2011768233       13.2753191032        7.5964984506
  H         5.6296543532       13.4600727536        8.3565488466
  H         5.8421757032       13.4851732605        6.9013899407
  O         1.0566328991        3.4564945404        0.0899494748
  H         1.0259477322        3.3771756349        1.0247337150
  H         1.3196725751        4.4145568285       -0.0237446186
  O        11.1399339948        7.5132775351        7.4092070605
  H        10.7687279083        7.3397277503        6.6243540299
  H        11.7557080494        8.2818037358        7.2354562091
  O         3.2906449084        5.3911639380       12.0278265815
  H         3.1688998539        4.4359966536       12.2584776537
  H         4.0516162390        5.5114240317       11.3902846537
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.5616634327
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.4686768661
      27
BOX 1,  STEP 254
  O        11.5203236661        7.2500546393       -0.0276137700
  H        10.7542498331        7.1544837352        0.6077593739
  H        11.3099974913        6.7240767635       -0.8237289812
  O         1.7621005584        5.3379639624        1.8864100410
  H         2.1767841235        5.7844298165        2.5735089493
  H         1.6196418385        5.9550661326        1.1689342833
  O        10.2310924741        5.1023324579       11.2420963804
  H        10.6406378351        4.2114370116       11.4397290806
  H         9.6712852228        4.9457115944       10.4439974820
  O         5.2011768233       13.2753191032        7.5964984506
  H         5.6296543532       13.4600727536        8.3565488466
  H         5.8421757032       13.4851732605        6.9013899407
  O         1.0566328991        3.4564945404        0.0899494748
  H         1.0259477322        3.3771756349        1.0247337150
  H         1.3196725751        4.4145568285       -0.0237446186
  O        11.1399339948        7.5132775351        7.4092070605
  H        10.7832425030        7.3600547869        6.6134673196
  H        11.7470678982        8.2814333728        7.2059225356
  O         3.2906449084        5.3911639380       12.0278265815
  H         3.1688998539        4.4359966536       12.2584776537
  H         4.0516162390        5.5114240317       11.3902846537
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.5616634327
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.4686768661
      27
BOX 1,  STEP 255
  O        11.5203236661        7.2500546393       -0.0276137700
  H        10.7542498331        7.1544837352        0.6077593739
  H        11.3099974913        6.7240767635       -0.8237289812
  O         1.7621005584        5.3379639624        1.8864100410
  H         2.1767841235        5.7844298165        2.5735089493
  H         1.6196418385        5.9550661326        1.1689342833
  O        10.2310924741        5.1023324579       11.2420963804
  H        10.6406378351        4.2114370116       11.4397290806
  H         9.6712852228        4.9457115944       10.4439974820
  O         5.2011768233       13.2753191032        7.5964984506
  H         5.6296543532       13.4600727536        8.3565488466
  H         5.8421757032       13.4851732605        6.9013899407
  O         1.0566328991        3.4564945404        0.0899494748
  H         1.0259477322        3.3771756349        1.0247337150
  H         1.3196725751        4.4145568285       -0.0237446186
  O        11.1399339948        7.5132775351        7.4092070605
  H        10.7832425030        7.3600547869        6.6134673196
  H        11.7470678982        8.2814333728        7.2059225356
  O         3.2906449084        5.3911639380       12.0278265815
  H         3.1688998539        4.4359966536       12.2584776537
  H         4.0516162390        5.5114240317       11.3902846537
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.5616634327
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.4686768661
      27
BOX 1,  STEP 256
  O        11.5172804342        7.2496749835       -0.0250897473
  H        10.8055965205        7.1608894485        0.5651730006
  H        11.3069542595        6.7236971077       -0.8212049585
  O         1.7621005584        5.3379639624        1.8864100410
  H         2.1767841235        5.7844298165        2.5735089493
  H         1.6196418385        5.9550661326        1.1689342833
  O        10.2310924741        5.1023324579       11.2420963804
  H        10.6406378351        4.2114370116       11.4397290806
  H         9.6712852228        4.9457115944       10.4439974820
  O         5.2011768233       13.2753191032        7.5964984506
  H         5.6296543532       13.4600727536        8.3565488466
  H         5.8421757032       13.4851732605        6.9013899407
  O         1.0566328991        3.4564945404        0.0899494748
  H         1.0259477322        3.3771756349        1.0247337150
  H         1.3196725751        4.4145568285       -0.0237446186
  O        11.1399339948        7.5132775351        7.4092070605
  H        10.7832425030        7.3600547869        6.6134673196
  H        11.7470678982        8.2814333728        7.2059225356
  O         3.2906449084        5.3911639380       12.0278265815
  H         3.1688998539        4.4359966536       12.2584776537
  H         4.0516162390        5.5114240317       11.3902846537
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.5616634327
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.4686768661
      27
BOX 1,  STEP 257
  O        11.5172804342        7.2496749835       -0.0250897473
  H        10.8055965205        7.1608894485        0.5651730006
  H        11.3069542595        6.7236971077       -0.8212049585
  O         1.7621005584        5.3379639624        1.8864100410
  H         2.1767841235        5.7844298165        2.5735089493
  H         1.6196418385        5.9550661326        1.1689342833
  O        10.2310924741        5.1023324579       11.2420963804
  H        10.6406378351        4.2114370116       11.4397290806
  H         9.6712852228        4.9457115944       10.4439974820
  O         5.2011768233       13.2753191032        7.5964984506
  H         5.6296543532       13.4600727536        8.3565488466
  H         5.8421757032       13.4851732605        6.9013899407
  O         1.0566328991        3.4564945404        0.0899494748
  H         1.0259477322        3.3771756349        1.0247337150
  H         1.3196725751        4.4145568285       -0.0237446186
  O        11.1399339948        7.5132775351        7.4092070605
  H        10.7832425030        7.3600547869        6.6134673196
  H        11.7470678982        8.2814333728        7.2059225356
  O         3.2906449084        5.3911639380       12.0278265815
  H         3.1688998539        4.4359966536       12.2584776537
  H         4.0516162390        5.5114240317       11.3902846537
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.5616634327
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.0179504118
      27
BOX 1,  STEP 258
  O        11.5172804342        7.2496749835       -0.0250897473
  H        10.8055965205        7.1608894485        0.5651730006
  H        11.3069542595        6.7236971077       -0.8212049585
  O         1.7621005584        5.3379639624        1.8864100410
  H         2.1767841235        5.7844298165        2.5735089493
  H         1.6196418385        5.9550661326        1.1689342833
  O        10.2310924741        5.1023324579       11.2420963804
  H        10.6406378351        4.2114370116       11.4397290806
  H         9.6712852228        4.9457115944       10.4439974820
  O         5.2011768233       13.2753191032        7.5964984506
  H         5.6296543532       13.4600727536        8.3565488466
  H         5.8421757032       13.4851732605        6.9013899407
  O         1.0566328991        3.4564945404        0.0899494748
  H         1.0311908560        3.3964082984        1.0263238604
  H         1.3200621280        4.4167276901       -0.0025540679
  O        11.1399339948        7.5132775351        7.4092070605
  H        10.7832425030        7.3600547869        6.6134673196
  H        11.7470678982        8.2814333728        7.2059225356
  O         3.2906449084        5.3911639380       12.0278265815
  H         3.1688998539        4.4359966536       12.2584776537
  H         4.0516162390        5.5114240317       11.3902846537
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.5616634327
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.0179504118
      27
BOX 1,  STEP 259
  O        11.5172804342        7.2496749835       -0.0250897473
  H        10.8055965205        7.1608894485        0.5651730006
  H        11.3069542595        6.7236971077       -0.8212049585
  O         1.7621005584        5.3379639624        1.8864100410
  H         2.1767841235        5.7844298165        2.5735089493
  H         1.6196418385        5.9550661326        1.1689342833
  O        10.2310924741        5.1023324579       11.2420963804
  H        10.6406378351        4.2114370116       11.4397290806
  H         9.6712852228        4.9457115944       10.4439974820
  O         5.2011768233       13.2753191032        7.5964984506
  H         5.6296543532       13.4600727536        8.3565488466
  H         5.8421757032       13.4851732605        6.9013899407
  O         1.0566328991        3.4564945404        0.0899494748
  H         1.0311908560        3.3964082984        1.0263238604
  H         1.3200621280        4.4167276901       -0.0025540679
  O        11.1399339948        7.5132775351        7.4092070605
  H        10.7832425030        7.3600547869        6.6134673196
  H        11.7470678982        8.2814333728        7.2059225356
  O         3.2903861628        5.3891339142       12.0283167858
  H         3.1732655189        4.4702480689       12.2502067196
  H         4.0513574934        5.5093940079       11.3907748580
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       10.6344303416        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.5616634327
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.0179504118
      27
BOX 1,  STEP 260
  O        11.5172804342        7.2496749835       -0.0250897473
  H        10.8055965205        7.1608894485        0.5651730006
  H        11.3069542595        6.7236971077       -0.8212049585
  O         1.7621005584        5.3379639624        1.8864100410
  H         2.1767841235        5.7844298165        2.5735089493
  H         1.6196418385        5.9550661326        1.1689342833
  O        10.2310924741        5.1023324579       11.2420963804
  H        10.6406378351        4.2114370116       11.4397290806
  H         9.6712852228        4.9457115944       10.4439974820
  O         5.2011768233       13.2753191032        7.5964984506
  H         5.6296543532       13.4600727536        8.3565488466
  H         5.8421757032       13.4851732605        6.9013899407
  O         1.0566328991        3.4564945404        0.0899494748
  H         1.0311908560        3.3964082984        1.0263238604
  H         1.3200621280        4.4167276901       -0.0025540679
  O        11.1399339948        7.5132775351        7.4092070605
  H        10.7832425030        7.3600547869        6.6134673196
  H        11.7470678982        8.2814333728        7.2059225356
  O         3.2903861628        5.3891339142       12.0283167858
  H         3.1732655189        4.4702480689       12.2502067196
  H         4.0513574934        5.5093940079       11.3907748580
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       11.1073662238        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.5616634327
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.0179504118
      27
FINAL BOX 1
  O        11.5172804342        7.2496749835       -0.0250897473
  H        10.8055965205        7.1608894485        0.5651730006
  H        11.3069542595        6.7236971077       -0.8212049585
  O         1.7621005584        5.3379639624        1.8864100410
  H         2.1767841235        5.7844298165        2.5735089493
  H         1.6196418385        5.9550661326        1.1689342833
  O        10.2310924741        5.1023324579       11.2420963804
  H        10.6406378351        4.2114370116       11.4397290806
  H         9.6712852228        4.9457115944       10.4439974820
  O         5.2011768233       13.2753191032        7.5964984506
  H         5.6296543532       13.4600727536        8.3565488466
  H         5.8421757032       13.4851732605        6.9013899407
  O         1.0566328991        3.4564945404        0.0899494748
  H         1.0311908560        3.3964082984        1.0263238604
  H         1.3200621280        4.4167276901       -0.0025540679
  O        11.1399339948        7.5132775351        7.4092070605
  H        10.7832425030        7.3600547869        6.6134673196
  H        11.7470678982        8.2814333728        7.2059225356
  O         3.2903861628        5.3891339142       12.0283167858
  H         3.1732655189        4.4702480689       12.2502067196
  H         4.0513574934        5.5093940079       11.3907748580
 AR         1.3002208328        3.0706107225        6.2826223921
 AR         4.2059053433       11.1073662238        9.1105172049
 AR        11.4700767557        3.0493441819        5.7697312098
 AR        11.0357824905        3.9670603366        2.5616634327
 AR         3.5073494859        5.9180016486        6.6915795800
 AR        10.3404768371        5.4964167973        5.0179504118
