


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.35120
 C       1.43541  0      0.00000  0      0.00000  0     1   0   0   -0.10220
 C       1.51361  0    105.85431  0      0.00000  0     2   1   0    0.18640
 O       1.21823  0    118.28448  0    316.65614  0     3   2   1   -0.30560
 H       1.10911  1    117.74471  1    136.76791  1     3   2   1    0.09270
 C       1.53458  1    111.55710  1     84.92703  1     2   3   4   -0.15340
 C       1.51145  1    112.83100  1     56.64848  1     6   2   3   -0.23230
 C       1.52964  1    112.96213  1     77.47315  1     7   6   2    0.32640
 O       1.26567  1    119.99388  1    296.88925  1     8   7   6   -0.58230
 O       1.27310  1    118.27046  1    117.22287  1     8   7   6   -0.61920
 H       1.12238  1    108.89928  1    197.86661  1     7   6   2    0.08780
 H       1.12048  1    110.54793  1    315.80765  1     7   6   2    0.06450
 H       1.12403  1    108.26479  1    176.91128  1     6   2   3    0.08570
 H       1.12305  1    109.48766  1    292.87616  1     6   2   3    0.08060
 H       1.13827  1    108.46185  1    200.91288  1     2   3   4    0.14660
 H       1.00423  1    109.75740  1    160.22164  1     1   2   3    0.13260
 H       1.00923  1    111.24584  1     41.63982  1     1   2   3    0.16780
 N       7.96014  0     75.09678  0    335.36568  0     3   2   1   -0.34710
 C       1.43306  0     42.93610  0    322.43062  0    18   3   2   -0.06900
 C       1.48866  0    114.42599  0    125.51033  0    19  18   3    0.33130
 O       1.22130  0    115.93694  0     35.03719  0    20  19  18   -0.41170
 N       1.33108  0    117.44794  0    215.43053  0    20  19  18   -0.35890
 C       1.45235  0    123.47707  0    179.52223  0    22  20  19   -0.02940
 C       1.53754  0    111.92080  0    301.14966  0    23  22  20    0.18290
 O       1.25976  0    125.74037  0    157.66496  0    24  23  22   -0.33820
 H       1.11383  1    115.32614  1    337.75101  1    24  23  22    0.09300
 C       1.54518  1    112.28168  1    178.64492  1    23  22  20   -0.06600
 C       1.46238  1    109.79830  1    276.28973  1    27  23  22   -0.24680
 C       1.40548  1    128.28279  1     92.09430  1    28  27  23   -0.02650
 N       1.38492  1    110.72348  1    182.34520  1    29  28  27   -0.19060
 C       1.39776  1    107.88017  1    359.02394  1    30  29  28   -0.01540
 C       1.45090  1    108.57524  1      1.24434  1    31  30  29   -0.07800
 C       1.39647  1    120.03581  1    179.49780  1    32  31  30   -0.12360
 C       1.38496  1    119.06324  1      0.78315  1    33  32  31   -0.16950
 C       1.40700  1    120.93790  1      0.77544  1    34  33  32   -0.14880
 C       1.38466  1    121.62603  1    358.99869  1    35  34  33   -0.11240
 H       1.09858  1    121.48570  1    176.72406  1    36  35  34    0.16350
 H       1.09954  1    119.20608  1    178.65051  1    35  34  33    0.11900
 H       1.09860  1    119.96303  1    180.14103  1    34  33  32    0.10150
 H       1.09895  1    119.82637  1    180.43299  1    33  32  31    0.11740
 H       1.03481  1    123.67674  1    173.71456  1    30  29  28    0.33010
 H       1.09834  1    129.06662  1      3.26141  1    29  28  27    0.19680
 H       1.12290  1    110.94105  1     39.36378  1    27  23  22    0.09850
 H       1.12411  1    107.57635  1    156.99351  1    27  23  22    0.09620
 H       1.13484  1    108.33348  1     58.74472  1    23  22  20    0.13660
 H       0.99817  1    122.17380  1      0.44327  1    22  20  19    0.26260
 C       1.53471  1    113.27519  1    345.33731  1    19  18   3   -0.15840
 C       1.50507  1    109.02567  1    203.91183  1    47  19  18    0.30570
 O       1.23963  1    124.60745  1    240.65816  1    48  47  19   -0.40000
 O       1.35959  1    117.17444  1     58.26716  1    48  47  19   -0.24040
 C       1.41584  0    116.01327  1    190.81196  1    50  48  47   -0.03080
 H       1.12665  1    111.83191  1     29.45416  1    51  50  48    0.12010
 H       1.12552  1    108.36188  1    271.21087  1    51  50  48    0.11420
Cl       3.44747  1    157.32609  1    341.54710  1    51  50  48   -0.84570
 C       1.52189  1    106.85209  1    150.50875  1    51  50  48   -0.15650
 H       1.12388  1    110.05939  1    352.13525  1    55  51  50    0.08150
 H       1.12289  1    108.74257  1    234.85465  1    55  51  50    0.08860
 C       1.51262  1    111.65567  1    114.46889  1    55  51  50   -0.16970
 H       1.12303  1    109.70841  1    302.00813  1    58  55  51    0.08780
 C       1.50601  1    111.09650  1    180.23895  1    58  55  51   -0.21430
 H       1.11840  1    110.34628  1    300.23991  1    60  58  55    0.06430
 H       1.11780  1    110.45814  1    180.35125  1    60  58  55    0.06810
 H       1.11885  1    110.94661  1     60.30155  1    60  58  55    0.06930
 H       1.12460  1    109.07689  1     59.15439  1    58  55  51    0.10670
 H       1.12506  1    109.94177  1    322.34377  1    47  19  18    0.15830
 H       1.12005  1    113.01222  1     82.64780  1    47  19  18    0.13030
 H       1.16424  1    106.90387  1    234.26032  1    19  18   3    0.08850
 H       1.00189  1    150.28303  1    354.29514  1    18   3   2    0.16820
 H       1.00143  1     94.39956  1    207.90110  1    18   3   2    0.16670
 N      11.18390  0     45.95169  0    335.35266  0     3   2   1   -0.33340
 C       1.48474  0    109.83433  0    318.64400  0    70   3   2   -0.09970
 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   -0.32600
 H       1.11010  1    116.36221  1    320.06966  1    72  71  70    0.10330
 C       1.52999  1    116.68553  1    351.44511  1    71  70   3   -0.15210
 C       1.48724  1    115.84538  1    288.77328  1    75  71  70   -0.07450
 C       1.39707  1    123.99355  1    351.23655  1    76  75  71   -0.14150
 C       1.39627  1    120.33306  1    180.26493  1    77  76  75   -0.13310
 C       1.39248  1    120.40288  1      0.72478  1    78  77  76   -0.13610
 C       1.39627  1    119.61740  1      0.20216  1    79  78  77   -0.12380
 C       1.39143  1    120.12565  1    358.94879  1    80  79  78   -0.12490
 H       1.10466  1    119.73597  1    182.19312  1    81  80  79    0.15680
 H       1.10282  1    120.11259  1    179.59308  1    80  79  78    0.14760
 H       1.10151  1    120.46754  1    181.55353  1    79  78  77    0.13650
 H       1.09972  1    119.70983  1    181.44202  1    78  77  76    0.12370
 H       1.09943  1    120.97275  1      0.88130  1    77  76  75    0.12810
 H       1.12667  1    109.24067  1     52.21457  1    75  71  70    0.10710
 H       1.12661  1    107.85283  1    168.03389  1    75  71  70    0.09850
 H       1.12856  1    106.58057  1    229.12431  1    71  70   3    0.11660
 H       1.00523  1     61.21287  1    217.56669  1    70   3   2    0.17450
 H       1.00416  1     48.95613  1     57.41610  1    70   3   2    0.14730
 N      16.98887  0     78.77108  0    276.65240  0     3   2   1   -0.32980
 C       1.47352  0     50.04108  0    198.47436  0    92   3   2   -0.10260
 C       1.54084  0    112.94709  0     70.56927  0    93  92   3    0.19520
 O       1.24033  0    121.30901  0    176.74567  0    94  93  92   -0.29950
 H       1.10989  1    116.96945  1    356.75020  1    94  93  92    0.10150
 C       1.54733  1    112.56241  1    309.39424  1    93  92   3   -0.15520
 C       1.49021  1    110.46649  1     48.35051  1    97  93  92   -0.06370
 C       1.40024  1    120.45231  1     87.26336  1    98  97  93   -0.13510
 C       1.39383  1    120.31204  1    182.71510  1    99  98  97   -0.11630
 C       1.39500  1    120.18990  1    359.45978  1   100  99  98   -0.13310
 C       1.39445  1    119.79607  1    359.77676  1   101 100  99   -0.13640
 C       1.39382  1    120.12401  1      0.47502  1   102 101 100   -0.14280
 H       1.09969  1    119.95201  1    181.19469  1   103 102 101    0.12000
 H       1.09918  1    119.97292  1    181.06355  1   102 101 100    0.12020
 H       1.09953  1    119.95656  1    180.35609  1   101 100  99    0.13240
 H       1.10224  1    119.68498  1    180.22862  1   100  99  98    0.14400
 H       1.10232  1    119.67539  1      3.34090  1    99  98  97    0.14670
 H       1.12343  1    109.69353  1    170.21502  1    97  93  92    0.13720
 H       1.12153  1    109.60337  1    286.99853  1    97  93  92    0.10500
 H       1.12709  1    107.61222  1    189.11945  1    93  92   3    0.12820
 H       1.00255  1    111.50676  1    102.37105  1    92   3   2    0.14030
 H       1.00351  1     60.86788  1      3.20654  1    92   3   2    0.14370
 N      17.89408  0     97.90475  0    267.28960  0     3   2   1   -0.29160
 C       1.43736  0    110.29372  0    222.59590  0   114   3   2   -0.11450
 C       1.49667  0    113.30282  0     44.24659  0   115 114   3    0.18240
 O       1.21152  0    117.76296  0    341.83825  0   116 115 114   -0.30260
 H       1.10995  1    117.48888  1    162.03724  1   116 115 114    0.11180
 C       1.55139  1    110.02978  1    279.57279  1   115 114   3   -0.17280
 C       1.52278  1    105.34127  1    359.12012  1   119 115 114   -0.17520
 C       1.53713  1    105.92219  1    356.13907  1   120 119 115   -0.09060
 H       1.12262  1    110.79893  1    130.77647  1   121 120 119    0.08450
 H       1.12445  1    110.13634  1    249.84127  1   121 120 119    0.07000
 H       1.11801  1    110.68039  1    116.21457  1   120 119 115    0.10990
 H       1.11625  1    111.18471  1    235.89837  1   120 119 115    0.07650
 H       1.12262  1    112.38173  1    120.43755  1   119 115 114    0.16090
 H       1.11651  1    109.75348  1    239.36388  1   119 115 114    0.08780
 H       1.13351  1    106.61375  1    162.33487  1   115 114   3    0.09330
 H       1.00627  1     33.29062  1    321.81085  1   114   3   2    0.16850
 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   -0.06860
 C       1.54573  0    115.39702  0    325.30114  0   131 130   3    0.17450
 O       1.21650  0    121.78862  0    193.10814  0   132 131 130   -0.30620
 H       1.11464  1    116.16778  1     14.14011  1   132 131 130    0.07860
 C       1.53315  1    113.30306  1    196.54967  1   131 130   3   -0.22390
 C       1.53493  1    116.81913  1     36.05779  1   135 131 130    0.33400
 O       1.26994  1    120.18748  1     26.15964  1   136 135 131   -0.61270
 O       1.26469  1    117.17322  1    205.92424  1   136 135 131   -0.57960
 H       1.12041  1    108.83941  1    157.72902  1   135 131 130    0.10020
 H       1.12020  1    108.24274  1    274.71435  1   135 131 130    0.07390
 H       1.13601  1    105.63226  1     78.87997  1   131 130   3    0.08000
 H       1.00623  1    133.86804  1    101.10347  1   130   3   2    0.18150
 H       1.00385  1     56.27479  1     17.50852  1   130   3   2    0.12080
 N      12.50007  0     97.91996  0    261.63373  0     3   2   1   -0.33470
 C       1.44534  0     57.31406  0    322.50817  0   144   3   2   -0.08750
 C       1.53835  0    116.53274  0    230.26398  0   145 144   3    0.19590
 O       1.24316  0    120.46732  0    146.99107  0   146 145 144   -0.30670
 H       1.10854  1    117.16048  1    325.55747  1   146 145 144    0.09860
 C       1.55232  1    113.64177  1    106.24927  1   145 144   3   -0.16300
 C       1.48721  1    113.63689  1    184.85375  1   149 145 144   -0.07830
 C       1.40080  1    120.59454  1     71.39318  1   150 149 145   -0.13040
 C       1.39453  1    120.53564  1    179.02369  1   151 150 149   -0.12520
 C       1.39554  1    120.02913  1      0.76039  1   152 151 150   -0.14280
 C       1.39482  1    119.74622  1    358.70899  1   153 152 151   -0.13890
 C       1.39368  1    120.25060  1      0.57315  1   154 153 152   -0.13590
 H       1.09960  1    119.86804  1    180.40493  1   155 154 153    0.11810
 H       1.09908  1    119.92104  1    180.66050  1   154 153 152    0.11730
 H       1.10251  1    119.78821  1    179.02028  1   153 152 151    0.14440
 H       1.10772  1    119.93104  1    181.76851  1   152 151 150    0.17680
 H       1.10239  1    119.93982  1    358.72572  1   151 150 149    0.14650
 H       1.12536  1    108.00272  1    305.24194  1   149 145 144    0.09700
 H       1.12373  1    109.11666  1     61.18925  1   149 145 144    0.10080
 H       1.13614  1    106.10962  1    349.00993  1   145 144   3    0.12510
 H       1.00140  1     73.52850  1     90.54232  1   144   3   2    0.17070
 H       1.00216  1    167.43587  1    347.07638  1   144   3   2    0.14920
 N      10.94337  0    106.51163  0    240.89105  0     3   2   1   -0.34020
 C       1.46213  0     14.86456  0    265.09140  0   166   3   2   -0.09240
 C       1.54890  0    109.51012  0    131.27165  0   167 166   3    0.22240
 O       1.23101  0    125.00583  0    126.76891  0   168 167 166   -0.33770
 H       1.11412  1    113.71576  1    304.82227  1   168 167 166    0.09910
 C       1.54843  1    110.80671  1     12.08573  1   167 166   3   -0.11600
 C       1.46211  1    118.76317  1    162.31204  1   171 167 166   -0.22990
 C       1.40774  1    125.74528  1    254.00626  1   172 171 167   -0.07700
 N       1.38527  1    111.13972  1    190.65862  1   173 172 171   -0.19090
 C       1.39636  1    107.46244  1      1.80283  1   174 173 172   -0.01820
 C       1.45126  1    108.80800  1    358.18550  1   175 174 173   -0.06710
 C       1.39670  1    119.67573  1    178.87597  1   176 175 174   -0.12220
 C       1.38514  1    119.10116  1      0.29711  1   177 176 175   -0.15440
 C       1.40684  1    121.09886  1    359.82235  1   178 177 176   -0.15860
 C       1.38382  1    121.62672  1    359.87306  1   179 178 177   -0.11130
 H       1.09989  1    120.69570  1    180.79237  1   180 179 178    0.15170
 H       1.10224  1    119.75849  1    181.60221  1   179 178 177    0.13330
 H       1.09939  1    119.74834  1    181.31289  1   178 177 176    0.10680
 H       1.09936  1    119.93898  1    182.21191  1   177 176 175    0.12670
 H       1.04239  1    124.60547  1    167.88114  1   174 173 172    0.32970
 H       1.09452  1    128.40068  1      9.69151  1   173 172 171    0.16440
 H       1.12665  1    106.92425  1    284.95909  1   171 167 166    0.10190
 H       1.12944  1    107.95550  1     40.13355  1   171 167 166    0.08530
 H       1.12452  1    108.94033  1    250.95355  1   167 166   3    0.11130
 H       1.00283  1     99.05854  1    131.99815  1   166   3   2    0.15650
 H       1.00436  1    104.11127  1     20.03209  1   166   3   2    0.14800
 N      10.01719  0    101.54687  0    205.40459  0     3   2   1   -0.33290
 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    0.32070
 O       1.23614  0    116.70478  0    115.46584  0   194 193 192   -0.39360
 N       1.35879  0    120.55811  0    294.85307  0   194 193 192   -0.37010
 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    0.19440
 O       1.23358  0    117.93172  0    174.66855  0   198 197 196   -0.31790
 H       1.10892  1    119.06026  1    356.34278  1   198 197 196    0.10380
 C       1.55409  1    111.13608  1    154.34170  1   197 196 194   -0.11000
 C       1.51219  1    111.35096  1    298.70954  1   201 197 196   -0.21220
 H       1.11736  1    111.57694  1     69.13596  1   202 201 197    0.08800
 H       1.11727  1    109.75417  1    188.82638  1   202 201 197    0.07430
 H       1.11680  1    110.57205  1    308.55101  1   202 201 197    0.08620
 C       1.51256  1    111.98246  1     63.59102  1   201 197 196   -0.21370
 H       1.11700  1    110.43879  1     48.42951  1   206 201 197    0.06700
 H       1.11727  1    109.78713  1    168.09576  1   206 201 197    0.07700
 H       1.11681  1    111.61464  1    287.49668  1   206 201 197    0.08150
 H       1.12916  1    105.76989  1    181.50476  1   201 197 196    0.10480
 H       1.14256  1    105.47412  1     38.98302  1   197 196 194    0.14070
 H       0.98862  1    122.48045  1      2.74515  1   196 194 193    0.24720
 C       1.54187  1    116.50651  1     34.21199  1   193 192   3   -0.19600
 C       1.52262  1    112.19372  1    274.49557  1   213 193 192   -0.10620
 C       1.51619  1    110.08990  1    166.95947  1   214 213 193   -0.22780
 H       1.11976  1    110.95268  1     66.57404  1   215 214 213    0.10980
 H       1.11774  1    110.07818  1    185.52765  1   215 214 213    0.08380
 H       1.11668  1    110.77888  1    305.04399  1   215 214 213    0.08560
 C       1.51572  1    111.87196  1    288.53752  1   214 213 193   -0.20540
 H       1.11591  1    111.55401  1     63.13507  1   219 214 213    0.04970
 H       1.11714  1    109.71421  1    183.17948  1   219 214 213    0.07770
 H       1.11726  1    110.38528  1    302.17395  1   219 214 213    0.09090
 H       1.12918  1    108.34684  1     48.61819  1   214 213 193    0.07890
 H       1.12292  1    109.90256  1     36.10613  1   213 193 192    0.09440
 H       1.12191  1    109.59872  1    153.90525  1   213 193 192    0.09590
 H       1.13992  1    105.31604  1    275.81116  1   193 192   3    0.12960
 H       1.00590  1     58.62449  1    171.31398  1   192   3   2    0.16270
 H       1.00490  1     94.70419  1     63.84420  1   192   3   2    0.14560
 N      11.18833  0    145.22708  0    179.37926  0     3   2   1   -0.32830
 C       1.47538  0     38.91567  0     92.42374  0   229   3   2   -0.11080
 C       1.53156  0    110.85889  0     76.62987  0   230 229   3    0.20280
 O       1.23608  0    120.93801  0    131.97322  0   231 230 229   -0.28530
 H       1.10946  1    116.62002  1    310.77388  1   231 230 229    0.09050
 C       1.54241  1    113.98285  1    314.51329  1   230 229   3   -0.14380
 C       1.48661  1    112.35785  1    213.36793  1   234 230 229   -0.09750
 C       1.39825  1    120.42582  1    248.39705  1   235 234 230   -0.12170
 C       1.39485  1    120.21847  1    181.45605  1   236 235 234   -0.11660
 C       1.39512  1    120.11399  1      0.20899  1   237 236 235   -0.14470
 C       1.39657  1    119.81731  1    359.95808  1   238 237 236   -0.13540
 C       1.39319  1    120.12886  1    359.89795  1   239 238 237   -0.13450
 H       1.09930  1    120.00196  1    180.01685  1   240 239 238    0.11400
 H       1.10011  1    119.87294  1    179.54446  1   239 238 237    0.13300
 H       1.10536  1    119.69391  1    179.12097  1   238 237 236    0.17230
 H       1.10688  1    119.89928  1    180.58715  1   237 236 235    0.17860
 H       1.10055  1    120.25570  1      1.12759  1   236 235 234    0.13720
 H       1.12499  1    109.56880  1    333.74301  1   234 230 229    0.08350
 H       1.12287  1    109.49876  1     90.53800  1   234 230 229    0.09050
 H       1.13073  1    106.83748  1    194.22369  1   230 229   3    0.14040
 H       1.00132  1    117.39567  1      6.14381  1   229   3   2    0.14550
 H       1.00161  1     71.24481  1    264.47387  1   229   3   2    0.13160
 N      10.63207  0    157.78032  0    247.22641  0     3   2   1   -0.32290
 C       1.45686  0     61.45363  0     72.53461  0   251   3   2   -0.11480
 C       1.53079  0    114.33401  0    108.37627  0   252 251   3    0.19250
 O       1.24202  0    122.12129  0    166.61502  0   253 252 251   -0.30040
 H       1.11132  1    116.73704  1    348.01731  1   253 252 251    0.08100
 C       1.53951  1    115.29866  1    337.74786  1   252 251   3   -0.10280
 C       1.46972  1    109.12279  1    290.92795  1   256 252 251   -0.17380
 C       1.39174  1    127.33456  1    104.45200  1   257 256 252   -0.07310
 N       1.40236  1    110.62587  1    185.23432  1   258 257 256   -0.20670
 C       1.40695  1    107.55520  1    355.95357  1   259 258 257   -0.02520
 C       1.44406  1    108.33025  1      3.90960  1   260 259 258   -0.07110
 C       1.39470  1    119.57540  1    177.51127  1   261 260 259   -0.09580
 C       1.38779  1    118.82698  1    359.63887  1   262 261 260   -0.14170
 C       1.40585  1    121.38208  1      0.03987  1   263 262 261   -0.10310
 C       1.38815  1    121.48763  1      0.35293  1   264 263 262   -0.15510
 H       1.09827  1    121.18260  1    179.26288  1   265 264 263    0.13280
 H       1.10427  1    118.57726  1    180.41312  1   264 263 262    0.16150
 H       1.10082  1    119.85724  1    179.42121  1   263 262 261    0.14250
 H       1.09978  1    120.12312  1    179.00181  1   262 261 260    0.13710
 H       0.98971  1    122.74852  1    203.86989  1   259 258 257    0.24050
 H       1.09415  1    129.13496  1      2.64610  1   258 257 256    0.16730
 H       1.12172  1    110.38717  1     52.45958  1   256 252 251    0.07950
 H       1.12381  1    108.74099  1    170.99998  1   256 252 251    0.11790
 H       1.14163  1    105.36958  1    221.62102  1   252 251   3    0.13400
 H       1.00483  1     90.11391  1    321.51581  1   251   3   2    0.16700
 H       1.00386  1     60.49181  1    211.46150  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   -0.04310
 C       1.53309  0    116.04025  0    101.50935  0   278 277   3    0.33240
 O       1.21854  0    114.35152  0    130.77104  0   279 278 277   -0.41480
 N       1.34627  0    124.98155  0    307.65807  0   279 278 277   -0.30350
 C       1.44346  0    119.05048  0    178.55598  0   281 279 278   -0.04480
 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   -0.33430
 H       1.11072  1    117.03338  1    314.97564  1   283 282 281    0.08290
 C       1.54275  1    107.48962  1    182.66613  1   282 281 279   -0.15340
 C       1.52573  1    105.73289  1    350.98013  1   286 282 281   -0.16580
 C       1.53928  1    106.66621  1     10.99218  1   287 286 282   -0.04120
 H       1.12548  1    109.45333  1    109.51428  1   288 287 286    0.06320
 H       1.13316  1    111.06859  1    229.59505  1   288 287 286    0.17920
 H       1.11693  1    111.45882  1    131.73128  1   287 286 282    0.06680
 H       1.12009  1    110.52588  1    251.81190  1   287 286 282    0.12040
 H       1.11785  1    110.70375  1    111.38835  1   286 282 281    0.06090
 H       1.11757  1    109.54826  1    230.93780  1   286 282 281    0.11420
 H       1.13926  1    109.13101  1     63.50387  1   282 281 279    0.17730
 C       1.54529  1    115.18170  1    333.40413  1   278 277   3   -0.19230
 C       1.48917  1    111.12131  1    303.39260  1   296 278 277   -0.06970
 C       1.40070  1    120.70193  1    298.89269  1   297 296 278   -0.13610
 C       1.39374  1    120.40010  1    180.12629  1   298 297 296   -0.15610
 C       1.39446  1    120.04212  1      0.40652  1   299 298 297   -0.16230
 C       1.39443  1    119.78675  1      0.36003  1   300 299 298   -0.13940
 C       1.39481  1    120.47564  1    359.46451  1   301 300 299   -0.10060
 H       1.11391  1    120.22402  1    178.62194  1   302 301 300    0.21920
 H       1.09960  1    120.23859  1    178.71319  1   301 300 299    0.12640
 H       1.09832  1    120.00868  1    179.65695  1   300 299 298    0.10100
 H       1.09849  1    119.83059  1    179.75065  1   299 298 297    0.10460
 H       1.10050  1    119.70891  1    359.05012  1   298 297 296    0.13340
 H       1.12962  1    110.21806  1     65.37196  1   296 278 277    0.16230
 H       1.12146  1    108.35676  1    183.19888  1   296 278 277    0.11990
 H       1.14059  1    105.96267  1    215.86577  1   278 277   3    0.11340
 H       1.00464  1     96.96480  1    302.12824  1   277   3   2    0.14740
 H       1.00547  1     60.97614  1    195.68839  1   277   3   2    0.15300
 N      11.50103  0     41.84600  0    249.35006  0     3   2   1   -0.33480
 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    0.20020
 O       1.23462  0    124.42499  0    138.84525  0   315 314 313   -0.32410
 H       1.11529  1    115.08096  1    317.00365  1   315 314 313    0.08240
 C       1.54408  1    117.75154  1     27.53925  1   314 313   3   -0.13570
 C       1.51618  1    109.87960  1    189.15856  1   318 314 313   -0.21130
 H       1.11724  1    110.32669  1     66.22212  1   319 318 314    0.06930
 H       1.11764  1    109.92873  1    185.54077  1   319 318 314    0.07950
 H       1.11669  1    111.06890  1    305.82051  1   319 318 314    0.07070
 C       1.51115  1    111.76751  1    310.91128  1   318 314 313   -0.22790
 H       1.12009  1    111.26733  1     69.58864  1   323 318 314    0.10260
 H       1.11995  1    110.36313  1    187.99633  1   323 318 314    0.11190
 H       1.11723  1    110.73436  1    308.13662  1   323 318 314    0.06910
 H       1.12795  1    108.25001  1     69.95892  1   318 314 313    0.09970
 H       1.12958  1    106.30685  1    266.48202  1   314 313   3    0.11820
 H       1.00354  1     20.12734  1    344.78524  1   313   3   2    0.17470
 H       1.00280  1    101.33720  1    233.88748  1   313   3   2    0.14270
 N      14.72332  0    119.88957  0    302.81367  0     3   2   1   -0.32550
 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    0.14230
 O       1.24270  0    122.55259  0    311.49323  0   333 332 331   -0.33380
 H       1.11051  1    115.55933  1    133.16022  1   333 332 331    0.11780
 C       1.53109  1    109.33641  1     59.70004  1   332 331   3   -0.19830
 C       1.51103  1    115.20064  1    187.55122  1   336 332 331    0.30570
 O       1.26747  1    122.49989  1     17.27829  1   337 336 332   -0.58930
 O       1.27428  1    117.20504  1    196.02579  1   337 336 332   -0.59480
 H       1.12367  1    108.85932  1    306.83702  1   336 332 331    0.11470
 H       1.12148  1    109.78633  1     64.95851  1   336 332 331    0.08500
 H       1.12733  1    109.64211  1    300.20610  1   332 331   3    0.14580
 H       1.00296  1    121.15423  1     28.64232  1   331   3   2    0.13830
 H       1.00192  1    126.79705  1    233.20269  1   331   3   2    0.12240
 N      12.38036  0    104.96082  0    284.46983  0     3   2   1   -0.36630
 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   -0.41960
 N       1.36644  0    116.12883  0    297.27396  0   347 346 345   -0.36780
 C       1.45852  0    122.03281  0    181.45509  0   349 347 346   -0.04430
 C       1.52059  0    119.21913  0    241.02480  0   350 349 347    0.19630
 O       1.22034  0    112.83439  0    233.01771  0   351 350 349   -0.29780
 H       1.10282  1    120.67162  1     53.62741  1   351 350 349    0.11050
 C       1.54983  1    109.86859  1    114.30586  1   350 349 347   -0.15680
 C       1.51962  1    114.30586  1    300.70378  1   354 350 349   -0.11220
 C       1.51713  1    109.36700  1    169.53981  1   355 354 350   -0.20220
 H       1.11643  1    110.61118  1     57.26734  1   356 355 354    0.05850
 H       1.11803  1    110.47109  1    177.32649  1   356 355 354    0.06780
 H       1.11718  1    110.32952  1    297.19263  1   356 355 354    0.07960
 C       1.51371  1    111.57491  1    291.87325  1   355 354 350   -0.21000
 H       1.11814  1    110.25760  1     64.36843  1   360 355 354    0.09070
 H       1.11796  1    110.31425  1    183.68989  1   360 355 354    0.06880
 H       1.11643  1    110.73088  1    303.76288  1   360 355 354    0.05060
 H       1.12790  1    109.63417  1     51.47210  1   355 354 350    0.09770
 H       1.12373  1    108.02076  1     63.33449  1   354 350 349    0.12400
 H       1.12135  1    108.32789  1    179.68056  1   354 350 349    0.08020
 H       1.13956  1    106.51759  1    358.50700  1   350 349 347    0.10980
 H       1.00272  1    121.61636  1    359.87407  1   349 347 346    0.28350
 C       1.53955  1    113.55834  1    354.58503  1   346 345   3   -0.17680
 C       1.52162  1    114.07159  1    302.64973  1   369 346 345   -0.09710
 C       1.51800  1    112.89394  1     82.50497  1   370 369 346   -0.22030
 H       1.11937  1    111.58744  1     26.65400  1   371 370 369    0.10730
 H       1.11770  1    110.30650  1    147.04622  1   371 370 369    0.07170
 H       1.11683  1    110.62786  1    266.15043  1   371 370 369    0.08370
 C       1.51724  1    109.35585  1    204.97398  1   370 369 346   -0.21270
 H       1.11814  1    110.79502  1     49.59625  1   375 370 369    0.05710
 H       1.11849  1    110.38336  1    170.09921  1   375 370 369    0.07530
 H       1.11713  1    110.43140  1    289.71426  1   375 370 369    0.08860
 H       1.12340  1    108.14935  1    322.93838  1   370 369 346    0.07480
 H       1.12333  1    110.36652  1     64.65282  1   369 346 345    0.10120
 H       1.12371  1    107.05645  1    181.18477  1   369 346 345    0.08290
 H       1.13110  1    106.87844  1    234.45009  1   346 345   3    0.10960
 H       1.00565  1     43.92242  1    153.35714  1   345   3   2    0.20130
 H       1.00047  1    140.16484  1     93.76612  1   345   3   2    0.13810
 N      10.68735  0    128.65141  0    312.98371  0     3   2   1   -0.34790
 C       1.48631  0     40.52725  0     11.00505  0   385   3   2   -0.05790
 C       1.53547  0    112.47589  0     77.79441  0   386 385   3    0.28020
 O       1.24135  0    121.32684  0    140.32846  0   387 386 385   -0.37350
 N       1.30757  0    113.87122  0    319.51944  0   387 386 385   -0.35930
 C       1.46212  0    123.58756  0    180.87103  0   389 387 386   -0.04600
 C       1.53121  0    108.52389  0    269.83224  0   390 389 387    0.17930
 O       1.23565  0    121.25330  0    262.58399  0   391 390 389   -0.31130
 H       1.10937  1    115.93332  1     81.69435  1   391 390 389    0.10720
 C       1.53238  1    114.02152  1    145.77179  1   390 389 387   -0.12760
 C       1.48712  1    112.35809  1    307.28321  1   394 390 389   -0.09700
 C       1.40102  1    120.68055  1    299.08219  1   395 394 390   -0.13350
 C       1.39436  1    120.53585  1    178.31443  1   396 395 394   -0.10980
 C       1.39630  1    119.73950  1      0.90628  1   397 396 395   -0.11250
 C       1.39394  1    120.01052  1      0.07869  1   398 397 396   -0.14580
 C       1.39405  1    120.25095  1    359.32060  1   399 398 397   -0.14860
 H       1.09969  1    119.87145  1    181.18627  1   400 399 398    0.12060
 H       1.10007  1    119.99539  1    180.91294  1   399 398 397    0.12380
 H       1.10216  1    119.63765  1    181.67419  1   398 397 396    0.14840
 H       1.10990  1    120.57465  1    182.33715  1   397 396 395    0.19290
 H       1.10037  1    119.83974  1    359.85526  1   396 395 394    0.13270
 H       1.12314  1    109.29326  1     70.56705  1   394 390 389    0.10040
 H       1.12294  1    107.25436  1    186.63450  1   394 390 389    0.09300
 H       1.13517  1    107.46626  1     25.55408  1   390 389 387    0.13340
 H       0.99711  1    121.61695  1    346.21958  1   389 387 386    0.23720
 C       1.53774  1    110.11370  1    313.24356  1   386 385   3   -0.08470
 C       1.47133  1    112.25821  1    187.69443  1   410 386 385   -0.12010
 N       1.39577  1    124.20817  1     83.10669  1   411 410 386   -0.15130
 C       1.38881  1    106.82733  1    179.95933  1   412 411 410   -0.10740
 N       1.35709  1    111.49241  1    359.09510  1   413 412 411   -0.20510
 C       1.38688  1    105.85929  1      0.32236  1   414 413 412   -0.19300
 H       1.09051  1    121.99747  1    181.21063  1   415 414 413    0.16940
 H       1.09456  1    123.22741  1    180.11084  1   413 412 411    0.19140
 H       1.00299  1    125.31068  1    355.94375  1   412 411 410    0.31390
 H       1.13114  1    107.65419  1    307.95973  1   410 386 385    0.15040
 H       1.12191  1    110.28290  1     66.06547  1   410 386 385    0.08280
 H       1.13316  1    106.84467  1    195.66302  1   386 385   3    0.16740
 H       0.99874  1     71.08461  1    195.65655  1   385   3   2    0.14310
 H       0.99756  1    124.03778  1     93.38067  1   385   3   2    0.14050
 O       3.37296  0    100.11538  0    322.17998  0     3   2   1   -0.41670
 H       0.96420  1     66.34235  1    285.18257  1   424   3   2    0.21820
 H       0.95954  1    169.28420  1    267.99852  1   424   3   2    0.19430

