


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.34910
 C       1.43541  0      0.00000  0      0.00000  0     1   0   0   -0.08890
 C       1.51361  0    105.85431  0      0.00000  0     2   1   0    0.17590
 O       1.21823  0    118.28448  0    316.65614  0     3   2   1   -0.29020
 H       1.10946  1    117.84578  1    136.61919  1     3   2   1    0.08370
 C       1.53924  1    108.74544  1     82.96198  1     2   3   4   -0.16270
 C       1.51156  1    112.90918  1     58.16670  1     6   2   3   -0.22170
 C       1.52810  1    113.49212  1     76.58658  1     7   6   2    0.32700
 O       1.26426  1    120.27272  1    296.22971  1     8   7   6   -0.57090
 O       1.27466  1    118.29069  1    116.99366  1     8   7   6   -0.63240
 H       1.12290  1    108.96392  1    197.38036  1     7   6   2    0.06180
 H       1.12069  1    110.41580  1    314.89993  1     7   6   2    0.06530
 H       1.12193  1    108.55564  1    179.52390  1     6   2   3    0.08090
 H       1.12438  1    108.69515  1    295.89302  1     6   2   3    0.08270
 H       1.13379  1    109.69313  1    199.41191  1     2   3   4    0.13840
 H       1.00446  1    109.72989  1    162.45237  1     1   2   3    0.14080
 H       1.00959  1    111.68224  1     44.54830  1     1   2   3    0.18300
 N       7.96014  0     75.09678  0    335.36568  0     3   2   1   -0.34570
 C       1.43306  0     42.93610  0    322.43062  0    18   3   2   -0.05910
 C       1.48866  0    114.42599  0    125.51033  0    19  18   3    0.33470
 O       1.22130  0    115.93694  0     35.03719  0    20  19  18   -0.44450
 N       1.33108  0    117.44794  0    215.43053  0    20  19  18   -0.36500
 C       1.45235  0    123.47707  0    179.52223  0    22  20  19   -0.02070
 C       1.53754  0    111.92080  0    301.14966  0    23  22  20    0.18310
 O       1.25976  0    125.74037  0    157.66496  0    24  23  22   -0.35390
 H       1.11400  1    115.31477  1    338.15095  1    24  23  22    0.09800
 C       1.54237  1    113.85801  1    178.50100  1    23  22  20   -0.07500
 C       1.46534  1    110.54726  1    268.99969  1    27  23  22   -0.20700
 C       1.39973  1    126.24330  1     85.78533  1    28  27  23   -0.00890
 N       1.39205  1    109.88045  1    181.74623  1    29  28  27   -0.20560
 C       1.39778  1    108.63845  1    359.49833  1    30  29  28   -0.01440
 C       1.44962  1    108.04587  1      0.86821  1    31  30  29   -0.06910
 C       1.39579  1    119.42642  1    178.64526  1    32  31  30   -0.10370
 C       1.38664  1    119.05197  1      0.06164  1    33  32  31   -0.17100
 C       1.40584  1    121.23612  1      0.65669  1    34  33  32   -0.14020
 C       1.38668  1    121.58290  1    359.82162  1    35  34  33   -0.12760
 H       1.10006  1    121.57457  1    177.82094  1    36  35  34    0.15120
 H       1.09935  1    119.18460  1    179.50091  1    35  34  33    0.11330
 H       1.09882  1    119.74058  1    180.32108  1    34  33  32    0.10460
 H       1.09905  1    119.83491  1    180.08413  1    33  32  31    0.12690
 H       0.98920  1    125.96156  1    180.22908  1    30  29  28    0.26630
 H       1.10385  1    128.13732  1      1.03656  1    29  28  27    0.22660
 H       1.12454  1    110.75027  1     31.44868  1    27  23  22    0.11380
 H       1.12403  1    108.14652  1    149.26120  1    27  23  22    0.08940
 H       1.13452  1    108.07019  1     57.83214  1    23  22  20    0.12070
 H       1.00604  1    122.27787  1    359.36273  1    22  20  19    0.29560
 C       1.53524  1    114.50395  1    346.43732  1    19  18   3   -0.20810
 C       1.53379  1    110.28897  1    204.43803  1    47  19  18    0.31150
 O       1.28037  1    118.04506  1    252.76868  1    48  47  19   -0.63460
 O       1.26702  1    123.25729  1     73.50655  1    48  47  19   -0.54010
 C       2.16584  0    119.44266  1    190.73949  1    50  48  47    0.05870
 H       1.11057  1     72.29600  1      6.87073  1    51  50  48    0.15890
 H       1.11031  1     72.52532  1    239.55829  1    51  50  48    0.13560
Cl       1.89249  1    162.43439  1    309.44565  1    51  50  48   -0.41220
 C       1.50324  1     91.15239  1    124.01772  1    51  50  48   -0.17490
 H       1.12683  1    107.45693  1      1.06533  1    55  51  50    0.13640
 H       1.12264  1    110.40421  1    244.44919  1    55  51  50    0.07020
 C       1.51605  1    112.57112  1    121.76020  1    55  51  50   -0.17190
 H       1.12361  1    109.47902  1    323.72306  1    58  55  51    0.09380
 C       1.50474  1    111.77277  1    202.56322  1    58  55  51   -0.21420
 H       1.11755  1    110.87894  1    301.00040  1    60  58  55    0.05480
 H       1.11830  1    110.64054  1    180.99506  1    60  58  55    0.06290
 H       1.11848  1    110.41875  1     60.92211  1    60  58  55    0.08740
 H       1.12342  1    109.63892  1     80.82757  1    58  55  51    0.07330
 H       1.11962  1    109.62307  1    323.72266  1    47  19  18    0.13120
 H       1.11843  1    111.85816  1     82.75287  1    47  19  18    0.09130
 H       1.16262  1    107.45240  1    235.22936  1    19  18   3    0.07970
 H       1.00189  1    152.49016  1    335.02291  1    18   3   2    0.15090
 H       1.00209  1     88.47576  1    201.40459  1    18   3   2    0.16330
 N      11.18390  0     45.95169  0    335.35266  0     3   2   1   -0.33520
 C       1.48474  0    109.83433  0    318.64400  0    70   3   2   -0.09870
 C       1.54617  0    110.48582  0    112.74304  0    71  70   3    0.20130
 O       1.23698  0    121.33134  0    141.68350  0    72  71  70   -0.32980
 H       1.11018  1    116.37672  1    320.25465  1    72  71  70    0.10380
 C       1.52931  1    116.59683  1    350.33207  1    71  70   3   -0.15240
 C       1.48813  1    115.52509  1    284.23495  1    75  71  70   -0.06400
 C       1.39708  1    123.90053  1    356.46596  1    76  75  71   -0.13460
 C       1.39509  1    120.34134  1    180.37650  1    77  76  75   -0.13110
 C       1.39229  1    120.40558  1      0.00000  1    78  77  76   -0.13330
 C       1.39619  1    119.60305  1    359.83500  1    79  78  77   -0.12640
 C       1.39144  1    120.09366  1      0.21644  1    80  79  78   -0.12790
 H       1.10160  1    119.80365  1    180.99745  1    81  80  79    0.14580
 H       1.10198  1    119.99279  1    181.19838  1    80  79  78    0.13700
 H       1.10028  1    120.17879  1    181.20301  1    79  78  77    0.13350
 H       1.09982  1    119.71921  1    181.17669  1    78  77  76    0.12530
 H       1.09959  1    121.13294  1      1.37375  1    77  76  75    0.13180
 H       1.12625  1    109.26194  1     47.51440  1    75  71  70    0.11130
 H       1.12616  1    108.10907  1    163.38195  1    75  71  70    0.09470
 H       1.12946  1    106.41919  1    228.39507  1    71  70   3    0.11450
 H       1.00554  1     61.33655  1    217.28098  1    70   3   2    0.17970
 H       1.00431  1     48.84241  1     57.48228  1    70   3   2    0.15060
 N      16.98887  0     78.77108  0    276.65240  0     3   2   1   -0.32840
 C       1.47352  0     50.04108  0    198.47436  0    92   3   2   -0.10160
 C       1.54084  0    112.94709  0     70.56927  0    93  92   3    0.19360
 O       1.24033  0    121.30901  0    176.74567  0    94  93  92   -0.30020
 H       1.11037  1    117.15792  1    356.64066  1    94  93  92    0.09550
 C       1.54626  1    112.75605  1    309.40953  1    93  92   3   -0.15400
 C       1.49015  1    110.79653  1     51.13590  1    97  93  92   -0.06500
 C       1.40053  1    120.39859  1     86.88049  1    98  97  93   -0.13240
 C       1.39364  1    120.43039  1    181.15752  1    99  98  97   -0.11400
 C       1.39554  1    120.08479  1    359.86067  1   100  99  98   -0.14550
 C       1.39435  1    119.79802  1    359.63640  1   101 100  99   -0.12300
 C       1.39418  1    120.17328  1      0.47871  1   102 101 100   -0.14520
 H       1.09976  1    119.88791  1    181.70355  1   103 102 101    0.12000
 H       1.09923  1    119.93367  1    181.27457  1   102 101 100    0.12030
 H       1.09972  1    119.92822  1    180.63173  1   101 100  99    0.13510
 H       1.10195  1    119.92196  1    180.88472  1   100  99  98    0.14320
 H       1.10236  1    119.56415  1      2.17843  1    99  98  97    0.14330
 H       1.12380  1    109.54948  1    172.92250  1    97  93  92    0.13850
 H       1.12177  1    109.62073  1    289.56322  1    97  93  92    0.10860
 H       1.12715  1    107.28459  1    189.30085  1    93  92   3    0.13190
 H       1.00276  1     99.72086  1     92.53482  1    92   3   2    0.14310
 H       1.00362  1     65.85218  1    347.69001  1    92   3   2    0.13730
 N      17.89408  0     97.90475  0    267.28960  0     3   2   1   -0.29330
 C       1.43736  0    110.29372  0    222.59590  0   114   3   2   -0.11320
 C       1.49667  0    113.30282  0     44.24659  0   115 114   3    0.18490
 O       1.21152  0    117.76296  0    341.83825  0   116 115 114   -0.30580
 H       1.10997  1    117.51201  1    162.03334  1   116 115 114    0.11070
 C       1.55148  1    110.03033  1    279.55852  1   115 114   3   -0.17410
 C       1.52265  1    105.35159  1    359.36813  1   119 115 114   -0.17320
 C       1.53724  1    105.90945  1    355.89074  1   120 119 115   -0.09070
 H       1.12266  1    110.79721  1    130.94956  1   121 120 119    0.08560
 H       1.12442  1    110.14381  1    250.01491  1   121 120 119    0.07060
 H       1.11802  1    110.70839  1    115.96382  1   120 119 115    0.10950
 H       1.11626  1    111.18734  1    235.65521  1   120 119 115    0.07680
 H       1.12265  1    112.40315  1    120.75498  1   119 115 114    0.16070
 H       1.11660  1    109.71674  1    239.64523  1   119 115 114    0.08830
 H       1.13347  1    106.62886  1    162.34660  1   115 114   3    0.09290
 H       1.00619  1     33.46965  1    321.88475  1   114   3   2    0.16890
 N      17.12834  0    109.64320  0    254.84939  0     3   2   1   -0.35200
 C       1.45843  0     53.82819  0    185.26230  0   130   3   2   -0.06730
 C       1.54573  0    115.39702  0    325.30114  0   131 130   3    0.18020
 O       1.21650  0    121.78862  0    193.10814  0   132 131 130   -0.30790
 H       1.11457  1    116.17403  1     14.12905  1   132 131 130    0.07580
 C       1.53321  1    113.36316  1    196.41008  1   131 130   3   -0.22460
 C       1.53534  1    116.86811  1     35.07310  1   135 131 130    0.33330
 O       1.26974  1    120.19654  1     26.81879  1   136 135 131   -0.61000
 O       1.26468  1    117.12702  1    206.61939  1   136 135 131   -0.57960
 H       1.12042  1    108.88403  1    156.79443  1   135 131 130    0.10040
 H       1.12020  1    108.21974  1    273.74570  1   135 131 130    0.07310
 H       1.13615  1    105.57866  1     78.78459  1   131 130   3    0.07770
 H       1.00621  1    134.79815  1    101.73856  1   130   3   2    0.18280
 H       1.00375  1     56.47130  1     18.66972  1   130   3   2    0.12030
 N      12.50007  0     97.91996  0    261.63373  0     3   2   1   -0.33750
 C       1.44534  0     57.31406  0    322.50817  0   144   3   2   -0.08420
 C       1.53835  0    116.53274  0    230.26398  0   145 144   3    0.19690
 O       1.24316  0    120.46732  0    146.99107  0   146 145 144   -0.31250
 H       1.10869  1    117.21173  1    325.58617  1   146 145 144    0.09970
 C       1.55325  1    113.21526  1    106.87493  1   145 144   3   -0.16660
 C       1.48645  1    113.94738  1    182.62373  1   149 145 144   -0.07140
 C       1.40065  1    120.51646  1     69.91038  1   150 149 145   -0.12170
 C       1.39471  1    120.46465  1    179.04905  1   151 150 149   -0.12020
 C       1.39508  1    120.18347  1      0.27102  1   152 151 150   -0.14870
 C       1.39484  1    119.71906  1    359.10960  1   153 152 151   -0.13400
 C       1.39313  1    120.18681  1      0.36779  1   154 153 152   -0.13270
 H       1.09977  1    119.85454  1    180.34463  1   155 154 153    0.12070
 H       1.09903  1    119.92557  1    180.64138  1   154 153 152    0.11660
 H       1.10181  1    119.94988  1    179.46186  1   153 152 151    0.13710
 H       1.10262  1    119.49230  1    181.13772  1   152 151 150    0.14710
 H       1.10267  1    120.04007  1    359.01078  1   151 150 149    0.15300
 H       1.12576  1    107.89213  1    303.17505  1   149 145 144    0.10230
 H       1.12395  1    109.06712  1     59.06585  1   149 145 144    0.10300
 H       1.13580  1    106.32591  1    349.51595  1   145 144   3    0.12540
 H       1.00151  1     75.61655  1     88.61597  1   144   3   2    0.17490
 H       1.00172  1    168.49558  1    331.56464  1   144   3   2    0.15120
 N      10.94337  0    106.51163  0    240.89105  0     3   2   1   -0.33850
 C       1.46213  0     14.86456  0    265.09140  0   166   3   2   -0.08930
 C       1.54890  0    109.51012  0    131.27165  0   167 166   3    0.21610
 O       1.23101  0    125.00583  0    126.76891  0   168 167 166   -0.33650
 H       1.11452  1    113.76772  1    304.98027  1   168 167 166    0.09700
 C       1.54553  1    111.13836  1     11.87749  1   167 166   3   -0.12640
 C       1.46361  1    118.47329  1    174.63218  1   171 167 166   -0.18610
 C       1.39845  1    126.99745  1    275.75543  1   172 171 167   -0.07830
 N       1.39496  1    110.53415  1    189.09814  1   173 172 171   -0.18950
 C       1.40136  1    107.93276  1      3.85384  1   174 173 172   -0.01320
 C       1.44467  1    108.28370  1    356.02956  1   175 174 173   -0.08310
 C       1.39648  1    119.22416  1    180.03620  1   176 175 174   -0.10340
 C       1.38669  1    118.91393  1    359.43627  1   177 176 175   -0.13630
 C       1.40700  1    121.44562  1      0.00000  1   178 177 176   -0.12000
 C       1.38551  1    121.52823  1      0.58090  1   179 178 177   -0.12640
 H       1.10213  1    120.71750  1    181.10355  1   180 179 178    0.15870
 H       1.10429  1    119.72885  1    182.37950  1   179 178 177    0.15030
 H       1.10037  1    119.54229  1    181.27281  1   178 177 176    0.12760
 H       1.10039  1    120.34949  1    180.36125  1   177 176 175    0.13510
 H       0.99212  1    124.21955  1    160.77452  1   174 173 172    0.26380
 H       1.09160  1    129.07300  1      9.74350  1   173 172 171    0.15010
 H       1.12763  1    107.21464  1    296.95576  1   171 167 166    0.10970
 H       1.12976  1    107.79860  1     51.97452  1   171 167 166    0.09040
 H       1.12550  1    108.73842  1    250.46407  1   167 166   3    0.11550
 H       1.00285  1     99.65305  1    134.29865  1   166   3   2    0.16050
 H       1.00421  1    103.62235  1     22.18253  1   166   3   2    0.14790
 N      10.01719  0    101.54687  0    205.40459  0     3   2   1   -0.33240
 C       1.44716  0     60.44593  0    312.77637  0   192   3   2   -0.06340
 C       1.51484  0    114.54894  0    162.40538  0   193 192   3    0.32000
 O       1.23614  0    116.70478  0    115.46584  0   194 193 192   -0.38890
 N       1.35879  0    120.55811  0    294.85307  0   194 193 192   -0.37120
 C       1.46169  0    117.94215  0    183.10701  0   196 194 193   -0.04430
 C       1.50738  0    120.92050  0    281.62350  0   197 196 194    0.19420
 O       1.23358  0    117.93172  0    174.66855  0   198 197 196   -0.31650
 H       1.10892  1    119.03491  1    356.35564  1   198 197 196    0.10560
 C       1.55397  1    111.15857  1    154.39316  1   197 196 194   -0.10950
 C       1.51204  1    111.39263  1    299.21607  1   201 197 196   -0.21120
 H       1.11726  1    111.50082  1     69.59468  1   202 201 197    0.08230
 H       1.11726  1    109.77914  1    189.28642  1   202 201 197    0.07440
 H       1.11681  1    110.59421  1    309.04552  1   202 201 197    0.08670
 C       1.51253  1    111.97644  1     64.11447  1   201 197 196   -0.21170
 H       1.11705  1    110.41961  1     49.13785  1   206 201 197    0.06830
 H       1.11727  1    109.79197  1    168.79514  1   206 201 197    0.07700
 H       1.11668  1    111.63710  1    288.23909  1   206 201 197    0.07860
 H       1.12926  1    105.74557  1    182.02293  1   201 197 196    0.10710
 H       1.14248  1    105.42243  1     39.00348  1   197 196 194    0.14120
 H       0.98834  1    122.48661  1      3.88495  1   196 194 193    0.24460
 C       1.54304  1    116.35444  1     34.44804  1   193 192   3   -0.19880
 C       1.52249  1    112.29047  1    269.43321  1   213 193 192   -0.10270
 C       1.51633  1    110.05640  1    168.18536  1   214 213 193   -0.23160
 H       1.12116  1    111.30129  1     72.05178  1   215 214 213    0.11970
 H       1.11768  1    110.04571  1    191.04596  1   215 214 213    0.08470
 H       1.11663  1    110.48266  1    310.47954  1   215 214 213    0.07230
 C       1.51507  1    112.10022  1    289.89297  1   214 213 193   -0.20870
 H       1.11588  1    111.55793  1     64.58061  1   219 214 213    0.05360
 H       1.11728  1    109.69122  1    184.69492  1   219 214 213    0.08240
 H       1.11720  1    110.41006  1    303.61459  1   219 214 213    0.08970
 H       1.12940  1    108.05308  1     50.01743  1   214 213 193    0.07870
 H       1.12350  1    109.76370  1     30.78894  1   213 193 192    0.09190
 H       1.12169  1    109.92989  1    148.60067  1   213 193 192    0.09370
 H       1.13964  1    105.23201  1    275.91312  1   193 192   3    0.13250
 H       1.00620  1     57.90606  1    169.84462  1   192   3   2    0.16360
 H       1.00476  1     96.02492  1     63.16892  1   192   3   2    0.14380
 N      11.18833  0    145.22708  0    179.37926  0     3   2   1   -0.32650
 C       1.47538  0     38.91567  0     92.42374  0   229   3   2   -0.11260
 C       1.53156  0    110.85889  0     76.62987  0   230 229   3    0.20350
 O       1.23608  0    120.93801  0    131.97322  0   231 230 229   -0.28160
 H       1.10933  1    116.56645  1    310.79987  1   231 230 229    0.09080
 C       1.54221  1    113.83190  1    314.73121  1   230 229   3   -0.14300
 C       1.48629  1    112.95545  1    211.74346  1   234 230 229   -0.09640
 C       1.39897  1    120.32442  1    243.72691  1   235 234 230   -0.11980
 C       1.39541  1    120.26548  1    182.95429  1   236 235 234   -0.11690
 C       1.39529  1    120.12035  1    359.21059  1   237 236 235   -0.14600
 C       1.39632  1    119.80257  1      0.35018  1   238 237 236   -0.13450
 C       1.39301  1    120.14059  1      0.48044  1   239 238 237   -0.12800
 H       1.09950  1    119.93834  1    179.56764  1   240 239 238    0.11490
 H       1.10017  1    119.92703  1    179.81079  1   239 238 237    0.13440
 H       1.10501  1    119.82215  1    179.66168  1   238 237 236    0.17080
 H       1.10319  1    119.94604  1    179.21860  1   237 236 235    0.16790
 H       1.10063  1    120.25940  1      2.12078  1   236 235 234    0.13800
 H       1.12467  1    109.70547  1    332.13840  1   234 230 229    0.08370
 H       1.12349  1    109.19519  1     88.67443  1   234 230 229    0.08990
 H       1.13079  1    106.84521  1    194.13075  1   230 229   3    0.14040
 H       1.00129  1    117.50070  1      6.20572  1   229   3   2    0.14450
 H       1.00160  1     71.23738  1    264.54711  1   229   3   2    0.13120
 N      10.63207  0    157.78032  0    247.22641  0     3   2   1   -0.32220
 C       1.45686  0     61.45363  0     72.53461  0   251   3   2   -0.11450
 C       1.53079  0    114.33401  0    108.37627  0   252 251   3    0.19520
 O       1.24202  0    122.12129  0    166.61502  0   253 252 251   -0.29920
 H       1.11124  1    116.73683  1    347.77708  1   253 252 251    0.07930
 C       1.53908  1    115.78165  1    338.53578  1   252 251   3   -0.10260
 C       1.46922  1    109.57305  1    291.13366  1   256 252 251   -0.17110
 C       1.39148  1    127.31862  1    110.71450  1   257 256 252   -0.06380
 N       1.40202  1    110.62391  1    184.03936  1   258 257 256   -0.20550
 C       1.40595  1    107.62011  1    355.78753  1   259 258 257   -0.02250
 C       1.44441  1    108.30952  1      3.82715  1   260 259 258   -0.07580
 C       1.39499  1    119.49944  1    177.89294  1   261 260 259   -0.09310
 C       1.38824  1    118.90385  1    359.60627  1   262 261 260   -0.14780
 C       1.40590  1    121.35570  1    359.97691  1   263 262 261   -0.10050
 C       1.38800  1    121.45560  1      0.32439  1   264 263 262   -0.16330
 H       1.09820  1    121.19131  1    179.58496  1   265 264 263    0.13030
 H       1.10412  1    118.48905  1    180.00459  1   264 263 262    0.15940
 H       1.10085  1    119.87744  1    179.27215  1   263 262 261    0.14490
 H       1.09992  1    120.17639  1    178.72417  1   262 261 260    0.13840
 H       0.98976  1    122.86803  1    202.79179  1   259 258 257    0.23960
 H       1.09371  1    129.21237  1      1.64006  1   258 257 256    0.16380
 H       1.12150  1    110.42790  1     53.34564  1   256 252 251    0.08290
 H       1.12475  1    108.56123  1    171.47598  1   256 252 251    0.11650
 H       1.14105  1    105.31361  1    221.95466  1   252 251   3    0.13240
 H       1.00458  1     90.02709  1    321.44432  1   251   3   2    0.16580
 H       1.00387  1     60.53802  1    211.37776  1   251   3   2    0.12940
 N       8.67740  0     38.22060  0    193.99078  0     3   2   1   -0.34280
 C       1.42114  0     58.23409  0     50.35430  0   277   3   2   -0.04240
 C       1.53309  0    116.04025  0    101.50935  0   278 277   3    0.32920
 O       1.21854  0    114.35152  0    130.77104  0   279 278 277   -0.41680
 N       1.34627  0    124.98155  0    307.65807  0   279 278 277   -0.31070
 C       1.44346  0    119.05048  0    178.55598  0   281 279 278   -0.03120
 C       1.53151  0    110.56490  0    303.77749  0   282 281 279    0.19120
 O       1.24540  0    121.78839  0    134.73572  0   283 282 281   -0.32420
 H       1.11017  1    116.79735  1    314.79965  1   283 282 281    0.09420
 C       1.54409  1    107.46131  1    183.21883  1   282 281 279   -0.15680
 C       1.52556  1    105.72124  1    351.68853  1   286 282 281   -0.16620
 C       1.53882  1    106.47739  1     12.19121  1   287 286 282   -0.05030
 H       1.12536  1    109.58620  1    107.01773  1   288 287 286    0.06850
 H       1.13285  1    110.99710  1    227.46481  1   288 287 286    0.19140
 H       1.11701  1    111.50242  1    132.76597  1   287 286 282    0.07550
 H       1.11987  1    110.87452  1    252.82336  1   287 286 282    0.11580
 H       1.11769  1    110.68302  1    111.92413  1   286 282 281    0.07210
 H       1.11748  1    109.80233  1    231.21495  1   286 282 281    0.10570
 H       1.13176  1    109.76973  1     63.01219  1   282 281 279    0.13490
 C       1.54664  1    114.95089  1    333.99083  1   278 277   3   -0.18860
 C       1.48948  1    111.05218  1    304.76367  1   296 278 277   -0.07670
 C       1.40083  1    120.69928  1    300.62033  1   297 296 278   -0.13820
 C       1.39344  1    120.32154  1    180.14241  1   298 297 296   -0.15340
 C       1.39506  1    120.07874  1      0.40685  1   299 298 297   -0.15990
 C       1.39418  1    119.78492  1      0.30956  1   300 299 298   -0.13110
 C       1.39517  1    120.45477  1    359.44161  1   301 300 299   -0.10040
 H       1.11383  1    120.07054  1    178.72330  1   302 301 300    0.21930
 H       1.09971  1    120.28891  1    178.69319  1   301 300 299    0.12890
 H       1.09832  1    119.97211  1    179.55748  1   300 299 298    0.10410
 H       1.09854  1    119.82947  1    179.66083  1   299 298 297    0.10790
 H       1.10029  1    119.79719  1    358.96402  1   298 297 296    0.13110
 H       1.12971  1    110.21633  1     66.48358  1   296 278 277    0.16000
 H       1.12125  1    108.55155  1    184.54609  1   296 278 277    0.11280
 H       1.14000  1    106.22804  1    216.13814  1   278 277   3    0.11830
 H       1.00456  1     98.17366  1    302.89245  1   277   3   2    0.15320
 H       1.00555  1     60.36939  1    196.89076  1   277   3   2    0.15380
 N      11.50103  0     41.84600  0    249.35006  0     3   2   1   -0.34080
 C       1.46571  0     95.67219  0    122.02735  0   313   3   2   -0.09510
 C       1.53380  0    108.58586  0    148.98325  0   314 313   3    0.20170
 O       1.23462  0    124.42499  0    138.84525  0   315 314 313   -0.31560
 H       1.11512  1    115.05803  1    317.52389  1   315 314 313    0.08320
 C       1.54307  1    116.50780  1     25.77693  1   314 313   3   -0.13290
 C       1.51438  1    110.12221  1    189.06337  1   318 314 313   -0.21220
 H       1.11748  1    110.37193  1     66.58619  1   319 318 314    0.07350
 H       1.11758  1    109.99887  1    186.04946  1   319 318 314    0.08420
 H       1.11686  1    110.81059  1    306.35553  1   319 318 314    0.07440
 C       1.51544  1    111.08181  1    310.87827  1   318 314 313   -0.23000
 H       1.11970  1    110.98885  1     72.11244  1   323 318 314    0.08480
 H       1.11983  1    110.14219  1    191.33388  1   323 318 314    0.10470
 H       1.11755  1    110.81827  1    311.42529  1   323 318 314    0.07670
 H       1.12789  1    108.40164  1     69.67448  1   318 314 313    0.10050
 H       1.13066  1    106.30134  1    265.81320  1   314 313   3    0.12070
 H       1.00361  1     21.56746  1    347.89046  1   313   3   2    0.17230
 H       1.00169  1    100.31738  1    233.96693  1   313   3   2    0.14530
 N      14.72332  0    119.88957  0    302.81367  0     3   2   1   -0.33530
 C       1.45021  0     37.30719  0    306.75107  0   331   3   2   -0.07900
 C       1.54346  0    110.63712  0    180.33963  0   332 331   3    0.15200
 O       1.24270  0    122.55259  0    311.49323  0   333 332 331   -0.33660
 H       1.11013  1    115.36558  1    133.08672  1   333 332 331    0.11990
 C       1.52879  1    110.35335  1     57.99156  1   332 331   3   -0.21000
 C       1.51205  1    115.82445  1    186.04993  1   336 332 331    0.30940
 O       1.26734  1    122.47759  1     19.70083  1   337 336 332   -0.59120
 O       1.27249  1    116.80631  1    198.33083  1   337 336 332   -0.58790
 H       1.12425  1    108.69728  1    305.22419  1   336 332 331    0.11260
 H       1.12195  1    109.76583  1     63.34650  1   336 332 331    0.08400
 H       1.12896  1    108.53248  1    298.69395  1   332 331   3    0.14460
 H       1.00309  1    103.78479  1     53.13683  1   331   3   2    0.13560
 H       1.00294  1    142.39466  1    266.13880  1   331   3   2    0.12760
 N      12.38036  0    104.96082  0    284.46983  0     3   2   1   -0.36450
 C       1.45859  0     70.22530  0    354.34928  0   345   3   2   -0.02960
 C       1.51962  0    111.83760  0    117.38431  0   346 345   3    0.28240
 O       1.23555  0    119.95914  0    119.13348  0   347 346 345   -0.42330
 N       1.36644  0    116.12883  0    297.27396  0   347 346 345   -0.36680
 C       1.45852  0    122.03281  0    181.45509  0   349 347 346   -0.04230
 C       1.52059  0    119.21913  0    241.02480  0   350 349 347    0.19620
 O       1.22034  0    112.83439  0    233.01771  0   351 350 349   -0.29700
 H       1.10277  1    120.66889  1     53.66965  1   351 350 349    0.10850
 C       1.54776  1    110.21123  1    113.08853  1   350 349 347   -0.15570
 C       1.51941  1    113.59113  1    293.83123  1   354 350 349   -0.11390
 C       1.51691  1    109.31825  1    170.45462  1   355 354 350   -0.21040
 H       1.11637  1    110.57697  1     58.64386  1   356 355 354    0.06070
 H       1.11804  1    110.45288  1    178.67823  1   356 355 354    0.07030
 H       1.11751  1    110.34358  1    298.61430  1   356 355 354    0.08860
 C       1.51465  1    111.65874  1    292.61967  1   355 354 350   -0.21130
 H       1.11791  1    110.43071  1     67.56327  1   360 355 354    0.08540
 H       1.11818  1    110.38700  1    186.74757  1   360 355 354    0.06690
 H       1.11651  1    110.73045  1    306.88456  1   360 355 354    0.05130
 H       1.12768  1    109.28865  1     52.15125  1   355 354 350    0.09970
 H       1.12326  1    108.51799  1     56.86118  1   354 350 349    0.12520
 H       1.12175  1    108.84203  1    173.51874  1   354 350 349    0.08370
 H       1.14057  1    106.31350  1    357.51898  1   350 349 347    0.10630
 H       1.00311  1    121.45011  1    358.97040  1   349 347 346    0.28580
 C       1.53790  1    113.61519  1    353.58790  1   346 345   3   -0.17430
 C       1.52322  1    113.49017  1    303.93516  1   369 346 345   -0.10020
 C       1.51837  1    112.84235  1     86.50480  1   370 369 346   -0.21750
 H       1.11917  1    111.69326  1     25.14822  1   371 370 369    0.10910
 H       1.11830  1    110.47305  1    145.66546  1   371 370 369    0.06850
 H       1.11715  1    110.56405  1    264.82141  1   371 370 369    0.08280
 C       1.51646  1    109.34753  1    209.20135  1   370 369 346   -0.20970
 H       1.11779  1    110.44646  1     54.44705  1   375 370 369    0.05270
 H       1.11818  1    110.59636  1    174.61903  1   375 370 369    0.06840
 H       1.11727  1    110.24875  1    294.17083  1   375 370 369    0.09340
 H       1.12455  1    108.25759  1    327.23178  1   370 369 346    0.07600
 H       1.12305  1    110.38102  1     65.99777  1   369 346 345    0.10490
 H       1.12343  1    107.22929  1    182.41540  1   369 346 345    0.08220
 H       1.13201  1    106.61039  1    233.95801  1   346 345   3    0.10560
 H       1.00596  1     42.59393  1    158.45658  1   345   3   2    0.20040
 H       1.00077  1    135.99584  1     94.66040  1   345   3   2    0.13780
 N      10.68735  0    128.65141  0    312.98371  0     3   2   1   -0.34820
 C       1.48631  0     40.52725  0     11.00505  0   385   3   2   -0.05990
 C       1.53547  0    112.47589  0     77.79441  0   386 385   3    0.27650
 O       1.24135  0    121.32684  0    140.32846  0   387 386 385   -0.36170
 N       1.30757  0    113.87122  0    319.51944  0   387 386 385   -0.36360
 C       1.46212  0    123.58756  0    180.87103  0   389 387 386   -0.04690
 C       1.53121  0    108.52389  0    269.83224  0   390 389 387    0.18090
 O       1.23565  0    121.25330  0    262.58399  0   391 390 389   -0.31620
 H       1.10943  1    115.95787  1     81.69140  1   391 390 389    0.10770
 C       1.53148  1    114.06620  1    147.01853  1   390 389 387   -0.12940
 C       1.48607  1    114.38627  1    302.14569  1   394 390 389   -0.09590
 C       1.40046  1    121.71177  1    315.03043  1   395 394 390   -0.12810
 C       1.39470  1    120.65653  1    181.71671  1   396 395 394   -0.10400
 C       1.39582  1    119.77145  1      0.31612  1   397 396 395   -0.12120
 C       1.39476  1    119.99413  1    359.82381  1   398 397 396   -0.15590
 C       1.39394  1    120.18039  1    359.96648  1   399 398 397   -0.14010
 H       1.09934  1    119.82076  1    180.76947  1   400 399 398    0.11410
 H       1.09922  1    120.00752  1    180.82619  1   399 398 397    0.11360
 H       1.10060  1    119.54705  1    180.54057  1   398 397 396    0.14280
 H       1.11107  1    120.35608  1    181.00042  1   397 396 395    0.20380
 H       1.10136  1    120.22989  1      2.40672  1   396 395 394    0.14210
 H       1.12430  1    108.94338  1     66.24090  1   394 390 389    0.09970
 H       1.12481  1    106.88579  1    181.52142  1   394 390 389    0.09420
 H       1.13443  1    107.64655  1     25.62485  1   390 389 387    0.13790
 H       0.99653  1    121.67019  1    346.87330  1   389 387 386    0.23570
 C       1.53809  1    111.61741  1    312.82832  1   386 385   3   -0.07830
 C       1.47212  1    109.44211  1    187.72361  1   410 386 385   -0.14670
 N       1.39737  1    124.08085  1     91.45080  1   411 410 386   -0.15930
 C       1.39182  1    106.59034  1    187.30940  1   412 411 410   -0.09300
 N       1.35542  1    111.63704  1    358.32155  1   413 412 411   -0.15700
 C       1.38605  1    105.80865  1      0.27096  1   414 413 412   -0.18460
 H       1.08908  1    121.83174  1    181.47117  1   415 414 413    0.16120
 H       1.09387  1    123.03244  1    180.55585  1   413 412 411    0.18830
 H       1.00066  1    124.72500  1    355.48049  1   412 411 410    0.30290
 H       1.12894  1    108.20642  1    307.96794  1   410 386 385    0.14660
 H       1.12107  1    110.56393  1     66.73344  1   410 386 385    0.07730
 H       1.13388  1    106.44742  1    195.14947  1   386 385   3    0.16640
 H       0.99886  1     71.06246  1    197.77414  1   385   3   2    0.14140
 H       0.99773  1    122.50670  1     95.37437  1   385   3   2    0.13840
 O       3.37296  0    100.11538  0    322.17998  0     3   2   1   -0.43030
 H       0.96561  1     61.47405  1    313.75574  1   424   3   2    0.22110
 H       0.96181  1    162.38746  1    287.35043  1   424   3   2    0.20370

