


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.35100
 C       1.43541  0      0.00000  0      0.00000  0     1   0   0   -0.10140
 C       1.51361  0    105.85431  0      0.00000  0     2   1   0    0.18470
 O       1.21823  0    118.28448  0    316.65614  0     3   2   1   -0.30270
 H       1.10911  1    117.73872  1    136.61170  1     3   2   1    0.09170
 C       1.53436  1    111.59681  1     84.96101  1     2   3   4   -0.15290
 C       1.51144  1    112.90710  1     56.55520  1     6   2   3   -0.23200
 C       1.52935  1    113.01915  1     77.49429  1     7   6   2    0.32640
 O       1.26528  1    120.07956  1    296.94919  1     8   7   6   -0.58110
 O       1.27337  1    118.19401  1    117.28984  1     8   7   6   -0.62070
 H       1.12245  1    108.86274  1    197.90633  1     7   6   2    0.08640
 H       1.12039  1    110.56508  1    315.85693  1     7   6   2    0.06470
 H       1.12419  1    108.22905  1    176.86032  1     6   2   3    0.08450
 H       1.12309  1    109.48215  1    292.74625  1     6   2   3    0.07940
 H       1.13817  1    108.44075  1    200.91128  1     2   3   4    0.14500
 H       1.00418  1    109.77595  1    160.31559  1     1   2   3    0.13320
 H       1.00934  1    111.31734  1     41.85094  1     1   2   3    0.17030
 N       7.96014  0     75.09678  0    335.36568  0     3   2   1   -0.34700
 C       1.43306  0     42.93610  0    322.43062  0    18   3   2   -0.06660
 C       1.48866  0    114.42599  0    125.51033  0    19  18   3    0.33140
 O       1.22130  0    115.93694  0     35.03719  0    20  19  18   -0.41670
 N       1.33108  0    117.44794  0    215.43053  0    20  19  18   -0.35960
 C       1.45235  0    123.47707  0    179.52223  0    22  20  19   -0.02920
 C       1.53754  0    111.92080  0    301.14966  0    23  22  20    0.18400
 O       1.25976  0    125.74037  0    157.66496  0    24  23  22   -0.34070
 H       1.11381  1    115.30231  1    337.08357  1    24  23  22    0.09390
 C       1.54405  1    112.43016  1    178.66470  1    23  22  20   -0.06730
 C       1.46213  1    109.99502  1    276.09396  1    27  23  22   -0.24260
 C       1.40351  1    128.24469  1     92.59231  1    28  27  23   -0.02580
 N       1.38386  1    110.66524  1    182.36231  1    29  28  27   -0.19210
 C       1.39784  1    107.88035  1    359.03949  1    30  29  28   -0.01700
 C       1.45131  1    108.53118  1      0.95973  1    31  30  29   -0.07630
 C       1.39638  1    119.99042  1    179.44479  1    32  31  30   -0.12310
 C       1.38524  1    119.06057  1      0.80794  1    33  32  31   -0.16900
 C       1.40639  1    120.93355  1      0.80531  1    34  33  32   -0.14930
 C       1.38471  1    121.63133  1    359.01306  1    35  34  33   -0.11330
 H       1.09867  1    121.47894  1    176.88321  1    36  35  34    0.16220
 H       1.09960  1    119.20328  1    178.54936  1    35  34  33    0.11890
 H       1.09857  1    119.97327  1    180.17780  1    34  33  32    0.10190
 H       1.09897  1    119.81713  1    180.53018  1    33  32  31    0.11850
 H       1.02864  1    123.84359  1    173.09722  1    30  29  28    0.32560
 H       1.09910  1    128.84111  1      3.19207  1    29  28  27    0.20000
 H       1.12317  1    110.87926  1     39.19741  1    27  23  22    0.10020
 H       1.12436  1    107.57213  1    156.75520  1    27  23  22    0.09540
 H       1.13495  1    108.28288  1     58.77316  1    23  22  20    0.13400
 H       0.99938  1    122.12510  1    359.80962  1    22  20  19    0.26800
 C       1.53243  1    113.41827  1    345.75947  1    19  18   3   -0.17080
 C       1.51138  1    109.09246  1    204.75221  1    47  19  18    0.31030
 O       1.24697  1    123.03589  1    242.55870  1    48  47  19   -0.45220
 O       1.32822  1    117.59248  1     59.19836  1    48  47  19   -0.33160
 C       1.71584  0    112.77495  1    190.74103  1    50  48  47    0.07870
 H       1.10810  1    103.95051  1     26.61934  1    51  50  48    0.14290
 H       1.10661  1    101.01084  1    267.95390  1    51  50  48    0.13410
Cl       3.10894  1    159.72153  1    340.38572  1    51  50  48   -0.85080
 C       1.49341  1    101.87936  1    147.25178  1    51  50  48   -0.17260
 H       1.12614  1    109.78688  1    351.03539  1    55  51  50    0.10220
 H       1.12500  1    109.01721  1    233.91922  1    55  51  50    0.09810
 C       1.51367  1    112.04851  1    112.99478  1    55  51  50   -0.17350
 H       1.12292  1    109.58187  1    304.33638  1    58  55  51    0.09190
 C       1.50594  1    111.04514  1    182.98873  1    58  55  51   -0.21320
 H       1.11843  1    110.36574  1    299.99034  1    60  58  55    0.06410
 H       1.11799  1    110.39860  1    180.08402  1    60  58  55    0.06950
 H       1.11892  1    110.96072  1     60.09366  1    60  58  55    0.07130
 H       1.12470  1    109.07346  1     61.56020  1    58  55  51    0.10650
 H       1.12426  1    110.00185  1    323.11289  1    47  19  18    0.15150
 H       1.11935  1    112.90542  1     83.34031  1    47  19  18    0.12430
 H       1.16387  1    107.04254  1    234.47526  1    19  18   3    0.08620
 H       1.00198  1    150.93736  1    350.46220  1    18   3   2    0.16560
 H       1.00159  1     93.08120  1    206.43376  1    18   3   2    0.16580
 N      11.18390  0     45.95169  0    335.35266  0     3   2   1   -0.33400
 C       1.48474  0    109.83433  0    318.64400  0    70   3   2   -0.09930
 C       1.54617  0    110.48582  0    112.74304  0    71  70   3    0.20000
 O       1.23698  0    121.33134  0    141.68350  0    72  71  70   -0.32620
 H       1.11011  1    116.37875  1    320.45511  1    72  71  70    0.10360
 C       1.53003  1    116.71497  1    351.33888  1    71  70   3   -0.15220
 C       1.48714  1    115.90553  1    288.59116  1    75  71  70   -0.07280
 C       1.39687  1    124.05378  1    352.37921  1    76  75  71   -0.14000
 C       1.39631  1    120.33147  1    180.09631  1    77  76  75   -0.13230
 C       1.39245  1    120.41368  1      0.67000  1    78  77  76   -0.13750
 C       1.39648  1    119.62713  1      0.23143  1    79  78  77   -0.12550
 C       1.39129  1    120.09352  1    358.93221  1    80  79  78   -0.12450
 H       1.10462  1    119.75040  1    182.11150  1    81  80  79    0.15630
 H       1.10262  1    120.14613  1    179.57614  1    80  79  78    0.14470
 H       1.10142  1    120.45197  1    181.53635  1    79  78  77    0.13510
 H       1.09976  1    119.70999  1    181.47904  1    78  77  76    0.12490
 H       1.09948  1    120.98728  1      0.70835  1    77  76  75    0.12910
 H       1.12676  1    109.26142  1     52.00314  1    75  71  70    0.10780
 H       1.12656  1    107.85093  1    167.82889  1    75  71  70    0.09810
 H       1.12866  1    106.59177  1    229.03355  1    71  70   3    0.11620
 H       1.00525  1     61.10461  1    217.51940  1    70   3   2    0.17550
 H       1.00417  1     49.08184  1     57.46014  1    70   3   2    0.14800
 N      16.98887  0     78.77108  0    276.65240  0     3   2   1   -0.33020
 C       1.47352  0     50.04108  0    198.47436  0    92   3   2   -0.10210
 C       1.54084  0    112.94709  0     70.56927  0    93  92   3    0.19530
 O       1.24033  0    121.30901  0    176.74567  0    94  93  92   -0.29980
 H       1.10989  1    116.97409  1    356.58404  1    94  93  92    0.10150
 C       1.54742  1    112.57559  1    309.38609  1    93  92   3   -0.15530
 C       1.49011  1    110.45944  1     48.33651  1    97  93  92   -0.06330
 C       1.40015  1    120.49707  1     86.86945  1    98  97  93   -0.13560
 C       1.39385  1    120.31335  1    182.69456  1    99  98  97   -0.11710
 C       1.39552  1    120.18501  1    359.43282  1   100  99  98   -0.13320
 C       1.39445  1    119.79600  1    359.83474  1   101 100  99   -0.13560
 C       1.39377  1    120.12398  1      0.46230  1   102 101 100   -0.14200
 H       1.09972  1    119.95754  1    181.35742  1   103 102 101    0.12050
 H       1.09919  1    119.96655  1    181.11460  1   102 101 100    0.12000
 H       1.09953  1    119.96885  1    180.31181  1   101 100  99    0.13240
 H       1.10210  1    119.71162  1    180.13867  1   100  99  98    0.14330
 H       1.10232  1    119.66239  1      3.30075  1    99  98  97    0.14610
 H       1.12347  1    109.71016  1    170.22875  1    97  93  92    0.13740
 H       1.12161  1    109.59729  1    286.99771  1    97  93  92    0.10530
 H       1.12711  1    107.61262  1    189.12982  1    93  92   3    0.12800
 H       1.00256  1    111.71165  1    102.53771  1    92   3   2    0.14050
 H       1.00351  1     60.81792  1      3.46995  1    92   3   2    0.14390
 N      17.89408  0     97.90475  0    267.28960  0     3   2   1   -0.29150
 C       1.43736  0    110.29372  0    222.59590  0   114   3   2   -0.11470
 C       1.49667  0    113.30282  0     44.24659  0   115 114   3    0.18250
 O       1.21152  0    117.76296  0    341.83825  0   116 115 114   -0.30290
 H       1.10996  1    117.48391  1    162.05268  1   116 115 114    0.11200
 C       1.55147  1    110.03409  1    279.57770  1   115 114   3   -0.17280
 C       1.52274  1    105.34336  1    359.12570  1   119 115 114   -0.17510
 C       1.53714  1    105.92009  1    356.12187  1   120 119 115   -0.09070
 H       1.12262  1    110.79862  1    130.81222  1   121 120 119    0.08450
 H       1.12444  1    110.13510  1    249.87037  1   121 120 119    0.07010
 H       1.11800  1    110.68001  1    116.20117  1   120 119 115    0.10990
 H       1.11627  1    111.18548  1    235.87912  1   120 119 115    0.07650
 H       1.12262  1    112.37538  1    120.44562  1   119 115 114    0.16090
 H       1.11651  1    109.74214  1    239.36409  1   119 115 114    0.08790
 H       1.13349  1    106.60638  1    162.33783  1   115 114   3    0.09340
 H       1.00624  1     33.28593  1    321.81221  1   114   3   2    0.16840
 N      17.12834  0    109.64320  0    254.84939  0     3   2   1   -0.35010
 C       1.45843  0     53.82819  0    185.26230  0   130   3   2   -0.06840
 C       1.54573  0    115.39702  0    325.30114  0   131 130   3    0.17430
 O       1.21650  0    121.78862  0    193.10814  0   132 131 130   -0.30600
 H       1.11467  1    116.17234  1     14.24616  1   132 131 130    0.07840
 C       1.53317  1    113.30417  1    196.52213  1   131 130   3   -0.22400
 C       1.53499  1    116.81426  1     35.98559  1   135 131 130    0.33410
 O       1.26994  1    120.16724  1     26.22026  1   136 135 131   -0.61270
 O       1.26466  1    117.16779  1    206.09093  1   136 135 131   -0.57940
 H       1.12039  1    108.84935  1    157.65467  1   135 131 130    0.10030
 H       1.12019  1    108.23923  1    274.64749  1   135 131 130    0.07400
 H       1.13599  1    105.64165  1     78.85160  1   131 130   3    0.08000
 H       1.00625  1    133.92762  1    101.14387  1   130   3   2    0.18160
 H       1.00387  1     56.29759  1     17.58206  1   130   3   2    0.12070
 N      12.50007  0     97.91996  0    261.63373  0     3   2   1   -0.33430
 C       1.44534  0     57.31406  0    322.50817  0   144   3   2   -0.08860
 C       1.53835  0    116.53274  0    230.26398  0   145 144   3    0.19580
 O       1.24316  0    120.46732  0    146.99107  0   146 145 144   -0.30690
 H       1.10855  1    117.12737  1    325.11497  1   146 145 144    0.09890
 C       1.55212  1    113.66556  1    106.35269  1   145 144   3   -0.15880
 C       1.48721  1    113.64491  1    184.70915  1   149 145 144   -0.07750
 C       1.40078  1    120.57697  1     71.70543  1   150 149 145   -0.13120
 C       1.39458  1    120.54104  1    178.91549  1   151 150 149   -0.12500
 C       1.39562  1    120.03297  1      0.66096  1   152 151 150   -0.14290
 C       1.39480  1    119.74819  1    358.62401  1   153 152 151   -0.13770
 C       1.39358  1    120.25508  1      0.74705  1   154 153 152   -0.13570
 H       1.09965  1    119.86762  1    180.16836  1   155 154 153    0.11870
 H       1.09911  1    119.90564  1    180.69755  1   154 153 152    0.11730
 H       1.10249  1    119.79802  1    179.05881  1   153 152 151    0.14440
 H       1.10734  1    119.87927  1    181.86004  1   152 151 150    0.17350
 H       1.10239  1    119.95919  1    358.59115  1   151 150 149    0.14640
 H       1.12518  1    107.99376  1    305.13323  1   149 145 144    0.09590
 H       1.12383  1    109.11884  1     61.05900  1   149 145 144    0.09990
 H       1.13606  1    106.08643  1    349.11382  1   145 144   3    0.12520
 H       1.00137  1     73.64581  1     90.46100  1   144   3   2    0.17090
 H       1.00211  1    167.47676  1    346.48800  1   144   3   2    0.14930
 N      10.94337  0    106.51163  0    240.89105  0     3   2   1   -0.34080
 C       1.46213  0     14.86456  0    265.09140  0   166   3   2   -0.09280
 C       1.54890  0    109.51012  0    131.27165  0   167 166   3    0.22270
 O       1.23101  0    125.00583  0    126.76891  0   168 167 166   -0.33760
 H       1.11411  1    113.69175  1    304.70476  1   168 167 166    0.09920
 C       1.54836  1    110.39262  1     12.53559  1   167 166   3   -0.11600
 C       1.46137  1    118.74648  1    162.55528  1   171 167 166   -0.22680
 C       1.40681  1    125.80790  1    254.61904  1   172 171 167   -0.08020
 N       1.38560  1    111.11137  1    190.56415  1   173 172 171   -0.19260
 C       1.39587  1    107.47318  1      1.82130  1   174 173 172   -0.01920
 C       1.45027  1    108.79722  1    358.11880  1   175 174 173   -0.06820
 C       1.39669  1    119.68109  1    179.40823  1   176 175 174   -0.12160
 C       1.38514  1    119.09855  1      0.05370  1   177 176 175   -0.15330
 C       1.40816  1    121.09765  1    359.82440  1   178 177 176   -0.15630
 C       1.38374  1    121.65539  1      0.00000  1   179 178 177   -0.11160
 H       1.09979  1    120.61647  1    180.54110  1   180 179 178    0.15210
 H       1.10244  1    119.86003  1    181.88749  1   179 178 177    0.13660
 H       1.09941  1    119.76276  1    181.32638  1   178 177 176    0.10790
 H       1.09953  1    119.94292  1    182.01607  1   177 176 175    0.12710
 H       1.04047  1    124.70981  1    167.12365  1   174 173 172    0.32720
 H       1.09451  1    128.42226  1      9.32685  1   173 172 171    0.16350
 H       1.12705  1    106.97350  1    285.18908  1   171 167 166    0.10240
 H       1.12963  1    107.95818  1     40.32202  1   171 167 166    0.08410
 H       1.12399  1    109.10651  1    251.31672  1   167 166   3    0.11270
 H       1.00291  1     99.12395  1    132.02798  1   166   3   2    0.15680
 H       1.00436  1    104.13335  1     20.03976  1   166   3   2    0.14820
 N      10.01719  0    101.54687  0    205.40459  0     3   2   1   -0.33260
 C       1.44716  0     60.44593  0    312.77637  0   192   3   2   -0.06520
 C       1.51484  0    114.54894  0    162.40538  0   193 192   3    0.32100
 O       1.23614  0    116.70478  0    115.46584  0   194 193 192   -0.39330
 N       1.35879  0    120.55811  0    294.85307  0   194 193 192   -0.37020
 C       1.46169  0    117.94215  0    183.10701  0   196 194 193   -0.04460
 C       1.50738  0    120.92050  0    281.62350  0   197 196 194    0.19430
 O       1.23358  0    117.93172  0    174.66855  0   198 197 196   -0.31770
 H       1.10892  1    119.06937  1    356.35175  1   198 197 196    0.10380
 C       1.55398  1    111.12742  1    154.34500  1   197 196 194   -0.11090
 C       1.51224  1    111.34799  1    298.70905  1   201 197 196   -0.21000
 H       1.11734  1    111.56713  1     69.17348  1   202 201 197    0.08650
 H       1.11723  1    109.75887  1    188.86218  1   202 201 197    0.07430
 H       1.11678  1    110.57388  1    308.60680  1   202 201 197    0.08610
 C       1.51258  1    111.98571  1     63.59685  1   201 197 196   -0.21420
 H       1.11701  1    110.43919  1     48.46497  1   206 201 197    0.06720
 H       1.11726  1    109.78718  1    168.12585  1   206 201 197    0.07690
 H       1.11680  1    111.61602  1    287.52742  1   206 201 197    0.08190
 H       1.12919  1    105.77480  1    181.50813  1   201 197 196    0.10500
 H       1.14256  1    105.46471  1     38.98639  1   197 196 194    0.14080
 H       0.98860  1    122.47346  1      2.81708  1   196 194 193    0.24700
 C       1.54173  1    116.42913  1     34.15396  1   193 192   3   -0.19500
 C       1.52284  1    112.16710  1    274.56188  1   213 193 192   -0.10550
 C       1.51623  1    110.06252  1    167.08606  1   214 213 193   -0.22800
 H       1.11978  1    110.95594  1     66.65464  1   215 214 213    0.11010
 H       1.11769  1    110.07454  1    185.60355  1   215 214 213    0.08390
 H       1.11665  1    110.77560  1    305.12157  1   215 214 213    0.08500
 C       1.51552  1    111.91453  1    288.63863  1   214 213 193   -0.20570
 H       1.11592  1    111.55998  1     63.16516  1   219 214 213    0.04980
 H       1.11716  1    109.70994  1    183.20713  1   219 214 213    0.07810
 H       1.11724  1    110.38959  1    302.20072  1   219 214 213    0.09090
 H       1.12922  1    108.32383  1     48.74930  1   214 213 193    0.07880
 H       1.12305  1    109.86890  1     36.05718  1   213 193 192    0.09390
 H       1.12177  1    109.60770  1    153.86732  1   213 193 192    0.09580
 H       1.13993  1    105.31931  1    275.78634  1   193 192   3    0.13010
 H       1.00603  1     58.57599  1    171.26732  1   192   3   2    0.16250
 H       1.00493  1     94.70006  1     63.82454  1   192   3   2    0.14530
 N      11.18833  0    145.22708  0    179.37926  0     3   2   1   -0.32970
 C       1.47538  0     38.91567  0     92.42374  0   229   3   2   -0.11010
 C       1.53156  0    110.85889  0     76.62987  0   230 229   3    0.20310
 O       1.23608  0    120.93801  0    131.97322  0   231 230 229   -0.28530
 H       1.10946  1    116.60810  1    310.44344  1   231 230 229    0.09070
 C       1.54297  1    113.79380  1    314.22978  1   230 229   3   -0.14290
 C       1.48623  1    112.58272  1    213.31148  1   234 230 229   -0.09950
 C       1.39854  1    120.62299  1    250.73582  1   235 234 230   -0.11850
 C       1.39510  1    120.25767  1    181.55550  1   236 235 234   -0.12040
 C       1.39527  1    120.11916  1      0.14582  1   237 236 235   -0.14300
 C       1.39599  1    119.82793  1    359.78839  1   238 237 236   -0.13520
 C       1.39295  1    120.14227  1    359.87157  1   239 238 237   -0.13370
 H       1.09931  1    119.99267  1    179.96894  1   240 239 238    0.11400
 H       1.10022  1    119.91786  1    179.67507  1   239 238 237    0.13310
 H       1.10542  1    119.71961  1    178.94005  1   238 237 236    0.17240
 H       1.10690  1    119.87748  1    180.09371  1   237 236 235    0.17820
 H       1.10061  1    120.24091  1      1.26104  1   236 235 234    0.13670
 H       1.12477  1    109.56311  1    333.54646  1   234 230 229    0.08340
 H       1.12286  1    109.45167  1     90.35971  1   234 230 229    0.09060
 H       1.13106  1    106.74717  1    194.03981  1   230 229   3    0.14000
 H       1.00150  1    117.60495  1      6.11141  1   229   3   2    0.14610
 H       1.00182  1     71.19182  1    264.37220  1   229   3   2    0.13190
 N      10.63207  0    157.78032  0    247.22641  0     3   2   1   -0.32260
 C       1.45686  0     61.45363  0     72.53461  0   251   3   2   -0.11490
 C       1.53079  0    114.33401  0    108.37627  0   252 251   3    0.19260
 O       1.24202  0    122.12129  0    166.61502  0   253 252 251   -0.30010
 H       1.11130  1    116.72881  1    347.81205  1   253 252 251    0.08130
 C       1.53885  1    115.42190  1    337.62504  1   252 251   3   -0.10320
 C       1.46945  1    109.18729  1    290.85115  1   256 252 251   -0.17350
 C       1.39132  1    127.30196  1    104.06231  1   257 256 252   -0.07430
 N       1.40170  1    110.71818  1    184.92666  1   258 257 256   -0.20580
 C       1.40682  1    107.51378  1    356.19261  1   259 258 257   -0.02600
 C       1.44482  1    108.29347  1      3.61548  1   260 259 258   -0.07110
 C       1.39466  1    119.57442  1    177.59116  1   261 260 259   -0.09560
 C       1.38839  1    118.83984  1    359.62433  1   262 261 260   -0.14150
 C       1.40540  1    121.39333  1    359.97163  1   263 262 261   -0.10310
 C       1.38833  1    121.50484  1      0.38658  1   264 263 262   -0.15520
 H       1.09812  1    121.15903  1    179.07090  1   265 264 263    0.13270
 H       1.10415  1    118.61839  1    180.26881  1   264 263 262    0.16160
 H       1.10081  1    119.82146  1    179.45074  1   263 262 261    0.14250
 H       1.09977  1    120.13053  1    179.08021  1   262 261 260    0.13750
 H       0.99000  1    122.69170  1    204.26134  1   259 258 257    0.24050
 H       1.09443  1    129.05798  1      2.65747  1   258 257 256    0.16690
 H       1.12179  1    110.42036  1     52.31412  1   256 252 251    0.07980
 H       1.12405  1    108.72094  1    170.88110  1   256 252 251    0.11810
 H       1.14182  1    105.33369  1    221.59066  1   252 251   3    0.13380
 H       1.00480  1     90.06668  1    321.49293  1   251   3   2    0.16680
 H       1.00382  1     60.52347  1    211.41163  1   251   3   2    0.12980
 N       8.67740  0     38.22060  0    193.99078  0     3   2   1   -0.34250
 C       1.42114  0     58.23409  0     50.35430  0   277   3   2   -0.04300
 C       1.53309  0    116.04025  0    101.50935  0   278 277   3    0.33230
 O       1.21854  0    114.35152  0    130.77104  0   279 278 277   -0.41510
 N       1.34627  0    124.98155  0    307.65807  0   279 278 277   -0.30420
 C       1.44346  0    119.05048  0    178.55598  0   281 279 278   -0.04290
 C       1.53151  0    110.56490  0    303.77749  0   282 281 279    0.19690
 O       1.24540  0    121.78839  0    134.73572  0   283 282 281   -0.33450
 H       1.11067  1    117.02912  1    314.94014  1   283 282 281    0.08370
 C       1.54252  1    107.47779  1    182.73179  1   282 281 279   -0.15390
 C       1.52572  1    105.72513  1    350.79090  1   286 282 281   -0.16580
 C       1.53919  1    106.66034  1     11.16349  1   287 286 282   -0.04180
 H       1.12550  1    109.48558  1    109.47468  1   288 287 286    0.06400
 H       1.13314  1    111.08938  1    229.57923  1   288 287 286    0.18000
 H       1.11709  1    111.47698  1    131.84060  1   287 286 282    0.06740
 H       1.11994  1    110.56267  1    251.97004  1   287 286 282    0.12070
 H       1.11762  1    110.83665  1    111.27498  1   286 282 281    0.06170
 H       1.11788  1    109.54264  1    230.79514  1   286 282 281    0.11330
 H       1.13843  1    109.20072  1     63.42955  1   282 281 279    0.17400
 C       1.54527  1    115.14524  1    333.41820  1   278 277   3   -0.19200
 C       1.48928  1    111.07551  1    303.51800  1   296 278 277   -0.07000
 C       1.40076  1    120.65304  1    299.04381  1   297 296 278   -0.13650
 C       1.39368  1    120.41606  1    180.20729  1   298 297 296   -0.15590
 C       1.39450  1    120.04108  1      0.43930  1   299 298 297   -0.16200
 C       1.39445  1    119.78636  1      0.38634  1   300 299 298   -0.13880
 C       1.39485  1    120.47291  1    359.46424  1   301 300 299   -0.10110
 H       1.11400  1    120.20269  1    178.58151  1   302 301 300    0.21950
 H       1.09960  1    120.24584  1    178.66400  1   301 300 299    0.12680
 H       1.09832  1    120.01217  1    179.62896  1   300 299 298    0.10130
 H       1.09849  1    119.83762  1    179.75935  1   299 298 297    0.10470
 H       1.10048  1    119.66535  1    359.10944  1   298 297 296    0.13300
 H       1.12951  1    110.23418  1     65.48409  1   296 278 277    0.16230
 H       1.12114  1    108.38431  1    183.41369  1   296 278 277    0.11950
 H       1.14052  1    106.00865  1    215.86741  1   278 277   3    0.11360
 H       1.00470  1     97.04361  1    302.20868  1   277   3   2    0.14760
 H       1.00551  1     60.91130  1    195.81144  1   277   3   2    0.15320
 N      11.50103  0     41.84600  0    249.35006  0     3   2   1   -0.33460
 C       1.46571  0     95.67219  0    122.02735  0   313   3   2   -0.09360
 C       1.53380  0    108.58586  0    148.98325  0   314 313   3    0.20030
 O       1.23462  0    124.42499  0    138.84525  0   315 314 313   -0.32340
 H       1.11530  1    115.06418  1    316.59954  1   315 314 313    0.08270
 C       1.54358  1    117.68602  1     27.40855  1   314 313   3   -0.13590
 C       1.51576  1    110.00743  1    188.70687  1   318 314 313   -0.21150
 H       1.11727  1    110.30942  1     66.49317  1   319 318 314    0.06940
 H       1.11757  1    109.92787  1    185.86202  1   319 318 314    0.07930
 H       1.11672  1    111.09324  1    306.16326  1   319 318 314    0.07150
 C       1.51163  1    111.70473  1    310.63933  1   318 314 313   -0.22750
 H       1.12002  1    111.30400  1     69.61956  1   323 318 314    0.10280
 H       1.12014  1    110.30047  1    188.07611  1   323 318 314    0.10920
 H       1.11731  1    110.76116  1    308.13742  1   323 318 314    0.06950
 H       1.12801  1    108.18643  1     69.52260  1   318 314 313    0.09980
 H       1.12970  1    106.28691  1    266.46036  1   314 313   3    0.11830
 H       1.00346  1     20.12182  1    344.68452  1   313   3   2    0.17460
 H       1.00276  1    101.36838  1    233.90137  1   313   3   2    0.14290
 N      14.72332  0    119.88957  0    302.81367  0     3   2   1   -0.32500
 C       1.45021  0     37.30719  0    306.75107  0   331   3   2   -0.08170
 C       1.54346  0    110.63712  0    180.33963  0   332 331   3    0.14250
 O       1.24270  0    122.55259  0    311.49323  0   333 332 331   -0.33390
 H       1.11051  1    115.57672  1    132.81404  1   333 332 331    0.11750
 C       1.53120  1    109.36172  1     59.62046  1   332 331   3   -0.19840
 C       1.51107  1    115.16763  1    187.41502  1   336 332 331    0.30600
 O       1.26744  1    122.46450  1     17.39170  1   337 336 332   -0.58910
 O       1.27419  1    117.21869  1    196.15243  1   337 336 332   -0.59480
 H       1.12363  1    108.88580  1    306.58979  1   336 332 331    0.11500
 H       1.12157  1    109.77334  1     64.81289  1   336 332 331    0.08480
 H       1.12737  1    109.62739  1    300.17689  1   332 331   3    0.14580
 H       1.00293  1    120.99646  1     28.97312  1   331   3   2    0.13810
 H       1.00196  1    127.04089  1    233.48627  1   331   3   2    0.12210
 N      12.38036  0    104.96082  0    284.46983  0     3   2   1   -0.36690
 C       1.45859  0     70.22530  0    354.34928  0   345   3   2   -0.02660
 C       1.51962  0    111.83760  0    117.38431  0   346 345   3    0.27860
 O       1.23555  0    119.95914  0    119.13348  0   347 346 345   -0.42000
 N       1.36644  0    116.12883  0    297.27396  0   347 346 345   -0.36790
 C       1.45852  0    122.03281  0    181.45509  0   349 347 346   -0.04390
 C       1.52059  0    119.21913  0    241.02480  0   350 349 347    0.19550
 O       1.22034  0    112.83439  0    233.01771  0   351 350 349   -0.29710
 H       1.10283  1    120.66615  1     53.74556  1   351 350 349    0.11080
 C       1.54966  1    109.73329  1    114.28048  1   350 349 347   -0.15690
 C       1.52034  1    114.19335  1    300.33975  1   354 350 349   -0.11180
 C       1.51682  1    109.50559  1    168.30000  1   355 354 350   -0.20280
 H       1.11651  1    110.56150  1     56.94711  1   356 355 354    0.05950
 H       1.11799  1    110.48735  1    177.01451  1   356 355 354    0.06600
 H       1.11706  1    110.35195  1    296.89067  1   356 355 354    0.08180
 C       1.51393  1    111.46933  1    290.56766  1   355 354 350   -0.21080
 H       1.11797  1    110.24464  1     64.27640  1   360 355 354    0.08910
 H       1.11786  1    110.29586  1    183.61350  1   360 355 354    0.06840
 H       1.11651  1    110.74174  1    303.71281  1   360 355 354    0.05160
 H       1.12753  1    109.77228  1     50.12879  1   355 354 350    0.09740
 H       1.12355  1    108.03363  1     62.79546  1   354 350 349    0.12440
 H       1.12165  1    108.33348  1    179.19316  1   354 350 349    0.08100
 H       1.13960  1    106.50829  1    358.54876  1   350 349 347    0.10940
 H       1.00287  1    121.62613  1      0.02824  1   349 347 346    0.28410
 C       1.53933  1    113.53821  1    354.44511  1   346 345   3   -0.17620
 C       1.52187  1    113.94625  1    302.86604  1   369 346 345   -0.09700
 C       1.51824  1    112.87373  1     82.64312  1   370 369 346   -0.22060
 H       1.11963  1    111.58281  1     26.24900  1   371 370 369    0.10860
 H       1.11764  1    110.34686  1    146.67650  1   371 370 369    0.07170
 H       1.11665  1    110.65423  1    265.80235  1   371 370 369    0.08370
 C       1.51708  1    109.40622  1    205.14966  1   370 369 346   -0.21200
 H       1.11820  1    110.74095  1     50.03689  1   375 370 369    0.05520
 H       1.11853  1    110.46127  1    170.44560  1   375 370 369    0.07560
 H       1.11710  1    110.39104  1    290.01624  1   375 370 369    0.08790
 H       1.12336  1    108.17466  1    323.09238  1   370 369 346    0.07500
 H       1.12336  1    110.35663  1     64.74536  1   369 346 345    0.10230
 H       1.12362  1    107.05808  1    181.28723  1   369 346 345    0.08130
 H       1.13115  1    106.85914  1    234.41850  1   346 345   3    0.10900
 H       1.00575  1     43.81771  1    153.72342  1   345   3   2    0.20180
 H       1.00057  1    140.00562  1     93.81295  1   345   3   2    0.13850
 N      10.68735  0    128.65141  0    312.98371  0     3   2   1   -0.34740
 C       1.48631  0     40.52725  0     11.00505  0   385   3   2   -0.05820
 C       1.53547  0    112.47589  0     77.79441  0   386 385   3    0.28000
 O       1.24135  0    121.32684  0    140.32846  0   387 386 385   -0.37190
 N       1.30757  0    113.87122  0    319.51944  0   387 386 385   -0.35850
 C       1.46212  0    123.58756  0    180.87103  0   389 387 386   -0.04780
 C       1.53121  0    108.52389  0    269.83224  0   390 389 387    0.17980
 O       1.23565  0    121.25330  0    262.58399  0   391 390 389   -0.31200
 H       1.10938  1    115.94294  1     81.68035  1   391 390 389    0.10700
 C       1.53320  1    114.14201  1    145.46061  1   390 389 387   -0.12850
 C       1.48654  1    111.79952  1    307.43921  1   394 390 389   -0.09810
 C       1.40162  1    120.66742  1    297.16313  1   395 394 390   -0.13010
 C       1.39329  1    120.55621  1    177.88728  1   396 395 394   -0.11050
 C       1.39634  1    119.75295  1      1.05515  1   397 396 395   -0.11420
 C       1.39410  1    120.01483  1      0.16924  1   398 397 396   -0.14440
 C       1.39471  1    120.24712  1    359.41782  1   399 398 397   -0.15020
 H       1.09983  1    119.78852  1    180.95839  1   400 399 398    0.11960
 H       1.10000  1    120.04014  1    180.91094  1   399 398 397    0.12260
 H       1.10204  1    119.65827  1    182.04315  1   398 397 396    0.14950
 H       1.11029  1    120.65542  1    182.77976  1   397 396 395    0.19570
 H       1.10017  1    119.88750  1    359.50988  1   396 395 394    0.13150
 H       1.12333  1    109.36711  1     70.17634  1   394 390 389    0.10040
 H       1.12236  1    107.53480  1    186.46416  1   394 390 389    0.09390
 H       1.13506  1    107.48049  1     25.29657  1   390 389 387    0.13410
 H       0.99721  1    121.56589  1    345.86948  1   389 387 386    0.23680
 C       1.53763  1    110.02008  1    313.07084  1   386 385   3   -0.08530
 C       1.47053  1    112.08477  1    187.45241  1   410 386 385   -0.12190
 N       1.39571  1    124.24735  1     83.21136  1   411 410 386   -0.15330
 C       1.38903  1    106.79100  1    180.15964  1   412 411 410   -0.10860
 N       1.35687  1    111.48034  1    359.01603  1   413 412 411   -0.19770
 C       1.38651  1    105.88867  1      0.38245  1   414 413 412   -0.19330
 H       1.09053  1    121.91044  1    181.26994  1   415 414 413    0.17060
 H       1.09416  1    123.26183  1    179.63907  1   413 412 411    0.19030
 H       1.00271  1    125.27000  1    355.57753  1   412 411 410    0.31280
 H       1.13097  1    107.72457  1    307.79731  1   410 386 385    0.15020
 H       1.12208  1    110.29103  1     65.95973  1   410 386 385    0.08280
 H       1.13312  1    106.88211  1    195.67589  1   386 385   3    0.16680
 H       0.99886  1     71.05308  1    195.69271  1   385   3   2    0.14260
 H       0.99766  1    123.92882  1     93.52098  1   385   3   2    0.13990
 O       3.37296  0    100.11538  0    322.17998  0     3   2   1   -0.41650
 H       0.96407  1     66.23752  1    291.47649  1   424   3   2    0.21620
 H       0.95955  1    168.87966  1    273.04678  1   424   3   2    0.19570

