


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.32580
 C       1.46622  0      0.00000  0      0.00000  0     1   0   0   -0.06550
 C       1.50739  0    114.62350  0      0.00000  0     2   1   0    0.14450
 O       1.25884  0    120.97328  0    314.84163  0     3   2   1   -0.26890
 H       1.10709  1    117.15542  1    135.88433  1     3   2   1    0.09810
 C       1.54191  1    108.00515  1     80.97883  1     2   3   4   -0.20870
 C       1.51193  1    112.08203  1     52.23414  1     6   2   3    0.29530
 O       1.25577  1    122.19409  1     60.81153  1     7   6   2   -0.43500
 N       1.36817  1    118.12542  1    238.05722  1     7   6   2   -0.42480
 H       0.99116  1    120.09627  1    175.51230  1     9   7   6    0.22110
 H       0.99416  1    120.88162  1      7.61068  1     9   7   6    0.24390
 H       1.12469  1    109.30987  1    170.21394  1     6   2   3    0.12370
 H       1.12639  1    108.75533  1    287.76845  1     6   2   3    0.13500
 H       1.13265  1    107.90487  1    196.99306  1     2   3   4    0.10450
 H       1.00550  1    110.28554  1    130.74070  1     1   2   3    0.16560
 H       1.00970  1    110.26163  1     13.72857  1     1   2   3    0.18700
 N       8.13001  0     73.66202  0    343.54714  0     3   2   1   -0.32820
 C       1.48397  0     48.33677  0    297.43069  0    17   3   2   -0.04560
 C       1.51580  0    111.83594  0    112.36719  0    18  17   3    0.32100
 O       1.23774  0    120.30369  0     51.63594  0    19  18  17   -0.44360
 N       1.33961  0    119.92046  0    231.94090  0    19  18  17   -0.36710
 C       1.47286  0    117.08269  0    178.99812  0    21  19  18   -0.04510
 C       1.50006  0    112.06490  0    290.64119  0    22  21  19    0.19980
 O       1.22392  0    118.76948  0    161.61124  0    23  22  21   -0.32430
 H       1.11185  1    118.65126  1    343.04994  1    23  22  21    0.10040
 C       1.54257  1    112.35842  1    166.64846  1    22  21  19   -0.07850
 C       1.46764  1    111.74017  1    268.13560  1    26  22  21   -0.17070
 C       1.39758  1    127.13797  1     82.58569  1    27  26  22   -0.04600
 N       1.39654  1    110.00753  1    178.18111  1    28  27  26   -0.21120
 C       1.39692  1    108.51484  1    359.77353  1    29  28  27   -0.01460
 C       1.44830  1    108.02069  1      0.78757  1    30  29  28   -0.07230
 C       1.39533  1    119.35518  1    178.45703  1    31  30  29   -0.08460
 C       1.38719  1    118.95780  1      0.80690  1    32  31  30   -0.16940
 C       1.40604  1    121.35595  1      0.12551  1    33  32  31   -0.13870
 C       1.38632  1    121.61606  1    359.58249  1    34  33  32   -0.13510
 H       1.09929  1    121.47262  1    179.31088  1    35  34  33    0.14640
 H       1.09959  1    119.10393  1    179.01961  1    34  33  32    0.11490
 H       1.09901  1    119.67740  1    180.34305  1    33  32  31    0.10800
 H       1.09980  1    119.91015  1    181.39803  1    32  31  30    0.13530
 H       0.98729  1    126.47376  1    183.32486  1    29  28  27    0.25680
 H       1.10029  1    128.38269  1    355.63479  1    28  27  26    0.20930
 H       1.12417  1    110.72878  1     31.08102  1    26  22  21    0.09970
 H       1.12489  1    108.00850  1    148.53900  1    26  22  21    0.09080
 H       1.13688  1    107.39439  1     47.42944  1    22  21  19    0.14380
 H       0.99834  1    124.74318  1    356.79029  1    21  19  18    0.28320
 C       1.52694  1    112.53196  1    341.17324  1    18  17   3   -0.22550
 C       1.52974  1    110.89467  1    186.14969  1    46  18  17    0.31990
 O       1.26055  1    120.97977  1     58.25155  1    47  46  18   -0.54280
 C       2.81988  0     98.59190  1    163.21161  1    48  47  46   -0.08190
Cl       1.79885  1    162.74071  1    117.76315  1    49  48  47   -0.26950
 H       1.11621  1     59.12986  1    154.80461  1    49  48  47    0.13400
 H       1.11976  1     73.53314  1     28.28575  1    49  48  47    0.15760
 C       1.50369  1     84.03142  1    274.33778  1    49  48  47   -0.17070
 H       1.12188  1    110.89806  1    143.79507  1    53  49  48    0.06460
 C       1.51312  1    112.61175  1    268.71617  1    53  49  48   -0.17100
 H       1.12316  1    108.50615  1     69.43322  1    55  53  49    0.11090
 H       1.12432  1    109.74381  1    312.56437  1    55  53  49    0.05320
 C       1.50650  1    111.84831  1    190.52132  1    55  53  49   -0.22670
 H       1.11747  1    110.58255  1    296.85511  1    58  55  53    0.10920
 H       1.11707  1    110.41069  1    176.88969  1    58  55  53    0.07580
 H       1.11936  1    111.10742  1     56.54666  1    58  55  53    0.04720
 H       1.13133  1    106.11671  1     27.62017  1    53  49  48    0.16150
 O       1.28247  1    117.47257  1    239.13890  1    47  46  18   -0.66340
 H       1.12080  1    108.53198  1    304.63047  1    46  18  17    0.11450
 H       1.11919  1    111.76822  1     63.58058  1    46  18  17    0.09210
 H       1.14487  1    109.35510  1    225.43621  1    18  17   3    0.09590
 H       1.00218  1    155.20785  1    317.27075  1    17   3   2    0.13690
 H       1.00359  1     88.53941  1    182.12567  1    17   3   2    0.15960
 N      12.39849  0     94.35127  0    340.03018  0     3   2   1   -0.32880
 C       1.46232  0     47.10766  0    254.76067  0    69   3   2   -0.12770
 C       1.52242  0    109.96185  0     63.74052  0    70  69   3    0.19820
 O       1.22259  0    122.70647  0    243.71115  0    71  70  69   -0.30000
 H       1.11320  1    115.12311  1     64.75999  1    71  70  69    0.09160
 C       1.53582  1    113.09884  1    299.40445  1    70  69   3   -0.16830
 C       1.51213  1    111.49711  1    282.47589  1    74  70  69   -0.21160
 C       1.52015  1    109.74855  1    282.81035  1    75  74  70    0.31800
 O       1.27899  1    117.96111  1    275.46382  1    76  75  74   -0.63250
 O       1.26331  1    121.60797  1     94.20110  1    76  75  74   -0.56760
 H       1.11815  1    111.29641  1     44.55101  1    75  74  70    0.06270
 H       1.12256  1    108.63616  1    164.04729  1    75  74  70    0.10260
 H       1.12149  1    110.37899  1     45.16356  1    74  70  69    0.08240
 H       1.12125  1    108.73784  1    161.45800  1    74  70  69    0.10950
 H       1.13579  1    107.98017  1    180.25441  1    70  69   3    0.15080
 H       1.00241  1    132.62070  1    179.96784  1    69   3   2    0.14630
 H       1.00266  1     63.63970  1     88.93799  1    69   3   2    0.13040
 N      11.56490  0     68.79739  0    322.18196  0     3   2   1   -0.33530
 C       1.46852  0    110.47555  0    288.43467  0    86   3   2   -0.09470
 C       1.52995  0    105.15846  0    155.37265  0    87  86   3    0.20260
 O       1.22685  0    122.41819  0    269.57918  0    88  87  86   -0.30320
 H       1.11138  1    115.31235  1     88.34274  1    88  87  86    0.08120
 C       1.54164  1    116.99373  1     32.77536  1    87  86   3   -0.12860
 C       1.51997  1    111.10949  1    307.98591  1    91  87  86   -0.16570
 C       1.50729  1    112.60151  1    182.43261  1    92  91  87   -0.20560
 H       1.11800  1    111.02691  1     69.36825  1    93  92  91    0.05200
 H       1.11825  1    109.77498  1    189.08692  1    93  92  91    0.09590
 H       1.11671  1    110.76530  1    308.81963  1    93  92  91    0.07370
 H       1.12243  1    109.64251  1    304.33774  1    92  91  87    0.08280
 H       1.12461  1    109.49805  1     61.95843  1    92  91  87    0.10260
 C       1.51452  1    109.09735  1    184.78134  1    91  87  86   -0.19950
 H       1.11666  1    110.78050  1     68.40305  1    99  91  87    0.06490
 H       1.11685  1    110.12146  1    188.32107  1    99  91  87    0.07600
 H       1.11753  1    110.36258  1    307.85180  1    99  91  87    0.06130
 H       1.12755  1    108.09571  1     66.99213  1    91  87  86    0.11000
 H       1.12937  1    107.58750  1    270.88954  1    87  86   3    0.10550
 H       1.00419  1     38.07862  1    193.60090  1    86   3   2    0.16090
 H       1.00373  1     72.60303  1     33.68211  1    86   3   2    0.16310
 N      16.87794  0     96.95425  0    285.61404  0     3   2   1   -0.32290
 C       1.46663  0     27.17430  0    209.52028  0   107   3   2   -0.06570
 C       1.52471  0    108.13509  0    213.77101  0   108 107   3    0.28240
 O       1.23815  0    116.57639  0    317.15529  0   109 108 107   -0.43380
 N       1.32775  0    118.30977  0    135.45248  0   109 108 107   -0.28520
 C       1.47342  0    117.86350  0    184.47984  0   111 109 108   -0.04360
 C       1.52829  0    110.25216  0    303.63816  0   112 111 109    0.18190
 O       1.23221  0    122.94278  0    317.80146  0   113 112 111   -0.29190
 H       1.11135  1    114.76070  1    138.69061  1   113 112 111    0.09770
 C       1.54020  1    106.81867  1    183.34008  1   112 111 109   -0.15350
 C       1.52703  1    106.40610  1      6.56512  1   116 112 111   -0.17630
 C       1.53812  1    106.92521  1    350.51593  1   117 116 112   -0.01290
 H       1.12586  1    111.20711  1    129.02850  1   118 117 116    0.09950
 H       1.12634  1    110.30773  1    249.87734  1   118 117 116    0.09590
 H       1.11848  1    110.61038  1    110.76031  1   117 116 112    0.11710
 H       1.12011  1    110.53347  1    230.97661  1   117 116 112    0.12510
 H       1.11813  1    111.01325  1    127.14306  1   116 112 111    0.10690
 H       1.11851  1    109.72881  1    247.23022  1   116 112 111    0.10800
 H       1.12555  1    108.79292  1     62.92712  1   112 111 109    0.11260
 C       1.54124  1    112.08086  1     93.60373  1   108 107   3   -0.11260
 C       1.48741  1    111.31213  1    225.47073  1   126 108 107   -0.09680
 C       1.40045  1    119.85220  1     77.18831  1   127 126 108   -0.12010
 C       1.39283  1    120.19766  1    180.15692  1   128 127 126   -0.14300
 C       1.39516  1    120.07276  1    359.82670  1   129 128 127   -0.12900
 C       1.39405  1    119.96433  1      0.03759  1   130 129 128   -0.13240
 C       1.39428  1    120.15573  1      0.02960  1   131 130 129   -0.11430
 H       1.10129  1    119.87638  1    179.42571  1   132 131 130    0.14470
 H       1.10266  1    120.00443  1    180.25725  1   131 130 129    0.14270
 H       1.10123  1    120.00632  1    179.86792  1   130 129 128    0.13730
 H       1.09977  1    120.03895  1    179.53394  1   129 128 127    0.12700
 H       1.10008  1    119.61270  1    359.85889  1   128 127 126    0.13250
 H       1.12392  1    109.96767  1    346.00236  1   126 108 107    0.10040
 H       1.12263  1    109.17891  1    103.29236  1   126 108 107    0.10050
 H       1.13001  1    106.61668  1    334.58104  1   108 107   3    0.12980
 H       1.00375  1    133.69160  1    241.16095  1   107   3   2    0.14650
 H       1.00207  1    104.78675  1    106.67305  1   107   3   2    0.14140
 N      16.72432  0    124.91452  0    276.79549  0     3   2   1   -0.35240
 C       1.46982  0     76.68359  0    213.57442  0   143   3   2   -0.04190
 C       1.52299  0    110.19106  0     52.87280  0   144 143   3    0.26710
 O       1.24638  0    120.17788  0    138.05139  0   145 144 143   -0.41240
 N       1.35028  0    117.73900  0    319.49297  0   145 144 143   -0.34830
 C       1.46683  0    116.78461  0    184.83260  0   147 145 144   -0.04230
 C       1.52793  0    113.40179  0    245.30481  0   148 147 145    0.20330
 O       1.22892  0    121.51607  0    191.21863  0   149 148 147   -0.35610
 H       1.11350  1    117.08613  1     11.07222  1   149 148 147    0.09860
 C       1.54471  1    112.42195  1    123.40839  1   148 147 145   -0.22030
 C       1.53190  1    114.59310  1    336.88138  1   152 148 147    0.31690
 O       1.26453  1    119.52254  1    252.18675  1   153 152 148   -0.56790
 O       1.26942  1    118.29253  1     72.61570  1   153 152 148   -0.59520
 H       1.12110  1    109.39345  1     96.92651  1   152 148 147    0.07830
 H       1.11796  1    107.94728  1    214.48205  1   152 148 147    0.08840
 H       1.13445  1    109.06292  1      3.53651  1   148 147 145    0.14940
 H       1.00308  1    122.31163  1    337.50668  1   147 145 144    0.27640
 C       1.52967  1    115.30625  1    283.49930  1   144 143   3   -0.13010
 C       1.50481  1    112.84718  1     92.72853  1   160 144 143   -0.21770
 C       1.51428  1    112.93743  1    175.59825  1   161 160 144    0.30960
 O       1.25541  1    123.15449  1      9.99506  1   162 161 160   -0.44820
 N       1.36592  1    115.54525  1    190.26252  1   162 161 160   -0.42390
 H       0.98666  1    120.26541  1    184.82754  1   164 162 161    0.20650
 H       1.00384  1    119.84566  1    359.05709  1   164 162 161    0.28290
 H       1.12715  1    110.82542  1    296.70012  1   161 160 144    0.14440
 H       1.12787  1    110.75755  1     55.11661  1   161 160 144    0.13700
 H       1.12251  1    107.87974  1    213.51594  1   160 144 143    0.09470
 H       1.12212  1    110.14036  1    329.94733  1   160 144 143    0.10330
 H       1.13510  1    105.02628  1    166.35270  1   144 143   3    0.10770
 H       1.00244  1     44.59674  1     74.57520  1   143   3   2    0.14320
 H       1.00154  1     95.51338  1    323.46762  1   143   3   2    0.15250
 N      13.04654  0    105.94724  0    247.79105  0     3   2   1   -0.33420
 C       1.46056  0     63.27013  0      7.06520  0   174   3   2   -0.10120
 C       1.52568  0    111.29303  0    196.21750  0   175 174   3    0.19400
 O       1.24426  0    120.37505  0    147.13265  0   176 175 174   -0.33220
 H       1.10954  1    117.89846  1    326.08423  1   176 175 174    0.10390
 C       1.54238  1    116.73417  1     73.66877  1   175 174   3   -0.14090
 C       1.48641  1    111.51955  1    279.29503  1   179 175 174   -0.09330
 C       1.39818  1    120.29044  1     79.27602  1   180 179 175   -0.14050
 C       1.39325  1    120.59512  1    177.82692  1   181 180 179   -0.11870
 C       1.39308  1    119.81656  1      0.00000  1   182 181 180   -0.13840
 C       1.39534  1    120.06863  1      0.36100  1   183 182 181   -0.16010
 C       1.39413  1    120.08956  1    359.55146  1   184 183 182   -0.13660
 H       1.10058  1    120.00711  1    181.64964  1   185 184 183    0.12600
 H       1.10260  1    119.61873  1    181.11319  1   184 183 182    0.14330
 H       1.10242  1    119.44583  1    181.48579  1   183 182 181    0.15030
 H       1.10302  1    119.73242  1    181.10735  1   182 181 180    0.16030
 H       1.10106  1    120.04598  1    358.75232  1   181 180 179    0.16360
 H       1.12295  1    109.88163  1     41.07048  1   179 175 174    0.10410
 H       1.12348  1    108.77083  1    158.56206  1   179 175 174    0.09740
 H       1.13469  1    106.68301  1    312.96850  1   175 174   3    0.12470
 H       1.00396  1     46.60155  1    176.75421  1   174   3   2    0.17180
 H       1.00405  1    130.40259  1    101.83129  1   174   3   2    0.15480
 N      13.97432  0     94.15818  0    232.02148  0     3   2   1   -0.33410
 C       1.46430  0     52.34679  0    324.34835  0   196   3   2   -0.10320
 C       1.53456  0    111.47344  0    135.31213  0   197 196   3    0.19960
 O       1.23123  0    117.86153  0    140.04507  0   198 197 196   -0.30760
 H       1.10730  1    118.10892  1    318.84644  1   198 197 196    0.11950
 C       1.53678  1    115.46469  1     12.56901  1   197 196   3   -0.16590
 C       1.48792  1    114.00789  1    300.98745  1   201 197 196   -0.07160
 C       1.39937  1    122.51101  1    328.61705  1   202 201 197   -0.15150
 C       1.39491  1    120.46821  1    180.73977  1   203 202 201   -0.12330
 C       1.39331  1    120.32660  1      0.37982  1   204 203 202   -0.12930
 C       1.39511  1    119.59422  1      0.12949  1   205 204 203   -0.12460
 C       1.39317  1    120.20909  1    359.66108  1   206 205 204   -0.13000
 H       1.10327  1    119.51307  1    180.02345  1   207 206 205    0.14150
 H       1.10247  1    119.93951  1    179.74601  1   206 205 204    0.15160
 H       1.10064  1    120.65021  1    180.42189  1   205 204 203    0.13560
 H       1.09972  1    119.68734  1    180.73226  1   204 203 202    0.12370
 H       1.09984  1    120.45926  1      0.82026  1   203 202 201    0.12850
 H       1.12600  1    108.93267  1     63.56115  1   201 197 196    0.11360
 H       1.12477  1    108.03057  1    180.12031  1   201 197 196    0.09860
 H       1.13143  1    106.62890  1    251.71483  1   197 196   3    0.11660
 H       1.00327  1     70.78472  1    189.83249  1   196   3   2    0.15690
 H       1.00443  1     89.74184  1     80.05756  1   196   3   2    0.15360
 N       8.60260  0    120.32027  0    196.08209  0     3   2   1   -0.32690
 C       1.47619  0     20.65117  0    143.41566  0   218   3   2   -0.11500
 C       1.52552  0    110.97429  0     90.17809  0   219 218   3    0.19570
 O       1.23450  0    120.01759  0    133.33311  0   220 219 218   -0.28550
 H       1.10913  1    117.25469  1    312.04568  1   220 219 218    0.09760
 C       1.54301  1    115.07728  1    327.79080  1   219 218   3   -0.14020
 C       1.48619  1    110.36818  1    221.03092  1   223 219 218   -0.11440
 C       1.40146  1    119.88281  1    281.87679  1   224 223 219   -0.12150
 C       1.39372  1    120.22002  1    179.06718  1   225 224 223   -0.12070
 C       1.39532  1    119.81211  1    359.12638  1   226 225 224   -0.11680
 C       1.39431  1    120.15242  1      0.03446  1   227 226 225   -0.13990
 C       1.39343  1    120.15796  1      1.01158  1   228 227 226   -0.14120
 H       1.09986  1    119.85548  1    179.78333  1   229 228 227    0.12580
 H       1.10253  1    119.39778  1    182.14507  1   228 227 226    0.13910
 H       1.10477  1    120.11498  1    179.48498  1   227 226 225    0.16410
 H       1.10347  1    120.32945  1    179.14579  1   226 225 224    0.16160
 H       1.10123  1    119.71722  1      0.02313  1   225 224 223    0.13990
 H       1.12308  1    110.04086  1    342.16723  1   223 219 218    0.08570
 H       1.12298  1    110.00166  1     99.56232  1   223 219 218    0.09240
 H       1.13349  1    106.21669  1    207.34759  1   219 218   3    0.14380
 H       1.00117  1    109.66744  1     51.69860  1   218   3   2    0.15050
 H       1.00133  1     90.74707  1    301.44068  1   218   3   2    0.13250
 N       9.32589  0    148.49850  0    217.13966  0     3   2   1   -0.32150
 C       1.47774  0     57.95963  0    104.42399  0   240   3   2   -0.11410
 C       1.51432  0    111.43394  0     71.58897  0   241 240   3    0.21460
 O       1.23796  0    120.10755  0    131.27173  0   242 241 240   -0.31090
 H       1.10981  1    117.37357  1    309.53973  1   242 241 240    0.10260
 C       1.54680  1    114.41694  1    308.18528  1   241 240   3   -0.13210
 C       1.51446  1    110.59353  1    180.89673  1   245 241 240   -0.22100
 H       1.11837  1    110.77519  1     65.14430  1   246 245 241    0.11140
 H       1.11901  1    109.90061  1    185.37367  1   246 245 241    0.07360
 H       1.11833  1    110.94456  1    304.95328  1   246 245 241    0.08250
 C       1.51515  1    110.33918  1    302.46421  1   245 241 240   -0.22520
 H       1.11723  1    111.31445  1     70.51555  1   250 245 241    0.05060
 H       1.11796  1    110.05668  1    190.04372  1   250 245 241    0.08430
 H       1.11746  1    110.53992  1    309.50173  1   250 245 241    0.09470
 H       1.12921  1    108.38135  1     61.50288  1   245 241 240    0.09580
 H       1.13335  1    106.70112  1    189.25013  1   241 240   3    0.13970
 H       1.00171  1    121.77937  1     11.53484  1   240   3   2    0.14060
 H       1.00377  1     51.25583  1    282.56452  1   240   3   2    0.13620
 N      10.70920  0    161.02234  0    300.98350  0     3   2   1   -0.33910
 C       1.47447  0     83.51123  0     40.16297  0   258   3   2   -0.09850
 C       1.51972  0    110.88294  0     91.41287  0   259 258   3    0.19600
 O       1.23337  0    122.18349  0    206.71515  0   260 259 258   -0.32920
 H       1.11275  1    116.40015  1     29.13572  1   260 259 258    0.09920
 C       1.53201  1    114.41623  1    323.15196  1   259 258   3   -0.19710
 C       1.52317  1    111.70730  1    280.82819  1   263 259 258   -0.10520
 C       1.51494  1    111.01980  1    154.56434  1   264 263 259   -0.21910
 H       1.11676  1    110.53120  1     64.15668  1   265 264 263    0.07170
 H       1.12103  1    109.50926  1    184.42208  1   265 264 263    0.11710
 H       1.11762  1    110.51548  1    303.74570  1   265 264 263    0.06430
 C       1.51558  1    110.99691  1    277.02244  1   264 263 259   -0.22400
 H       1.11660  1    110.67203  1     65.49745  1   269 264 263    0.05530
 H       1.11761  1    109.93503  1    185.75507  1   269 264 263    0.10150
 H       1.11895  1    110.78281  1    305.15177  1   269 264 263    0.08950
 H       1.12767  1    108.87853  1     36.66055  1   264 263 259    0.08350
 H       1.12374  1    109.80691  1     42.91842  1   263 259 258    0.09350
 H       1.12138  1    108.92137  1    160.17352  1   263 259 258    0.10870
 H       1.13675  1    106.90252  1    204.08429  1   259 258   3    0.11970
 H       1.00215  1    109.32614  1    292.57141  1   258   3   2    0.15620
 H       1.00294  1     27.55406  1    199.67587  1   258   3   2    0.15710
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.32630
 C       1.47835  0     61.24542  0     67.22159  0   279   3   2   -0.04320
 C       1.51781  0    114.00427  0    109.21645  0   280 279   3    0.27590
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.40630
 N       1.33720  0    121.52500  0    307.87372  0   281 280 279   -0.31370
 C       1.46123  0    119.81866  0    181.42204  0   283 281 280   -0.05240
 C       1.52311  0    110.76539  0    298.61277  0   284 283 281    0.18550
 O       1.22828  0    119.95573  0    154.36018  0   285 284 283   -0.27880
 H       1.11041  1    117.53322  1    334.52632  1   285 284 283    0.09730
 C       1.54213  1    107.53897  1    176.99428  1   284 283 281   -0.15920
 C       1.52434  1    106.36264  1      2.24471  1   288 284 283   -0.17400
 C       1.53716  1    106.78027  1      1.04726  1   289 288 284   -0.02360
 H       1.12643  1    108.65065  1    115.53432  1   290 289 288    0.06760
 H       1.12432  1    111.02376  1    235.07930  1   290 289 288    0.10380
 H       1.11773  1    110.96770  1    121.20756  1   289 288 284    0.08780
 H       1.11941  1    110.93822  1    241.00484  1   289 288 284    0.10800
 H       1.11808  1    110.86595  1    123.48468  1   288 284 283    0.09430
 H       1.12052  1    109.64645  1    242.46935  1   288 284 283    0.11800
 H       1.13307  1    108.93011  1     57.40787  1   284 283 281    0.15180
 C       1.53474  1    113.53189  1    340.92629  1   280 279   3   -0.08700
 C       1.47021  1    112.39446  1    309.94552  1   298 280 279   -0.14620
 C       1.39506  1    125.72533  1    118.98487  1   299 298 280   -0.07920
 N       1.39983  1    110.47839  1    181.27744  1   300 299 298   -0.21070
 C       1.40066  1    107.99015  1    356.49330  1   301 300 299   -0.00300
 C       1.44724  1    108.19311  1      3.31549  1   302 301 300   -0.04820
 C       1.39468  1    119.23932  1    178.46147  1   303 302 301   -0.07110
 C       1.38950  1    118.92200  1    359.74420  1   304 303 302   -0.16300
 C       1.40447  1    121.45817  1      0.04951  1   305 304 303   -0.12050
 C       1.38786  1    121.49940  1      0.08553  1   306 305 304   -0.15930
 H       1.09710  1    121.11721  1    179.59932  1   307 306 305    0.11920
 H       1.09962  1    119.10251  1    179.66069  1   306 305 304    0.11480
 H       1.09969  1    119.42184  1    179.41647  1   305 304 303    0.12750
 H       1.10071  1    120.40382  1    178.82054  1   304 303 302    0.15050
 H       0.98567  1    123.96743  1    197.83484  1   301 300 299    0.24070
 H       1.09624  1    129.50877  1      0.87142  1   300 299 298    0.18760
 H       1.12333  1    110.33138  1     72.67549  1   298 280 279    0.08380
 H       1.12574  1    107.48165  1    189.44794  1   298 280 279    0.12260
 H       1.13638  1    104.81815  1    224.15732  1   280 279   3    0.14320
 H       1.00042  1     52.28221  1    225.82818  1   279   3   2    0.14210
 H       0.99980  1    142.10621  1    153.58946  1   279   3   2    0.13750
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34320
 C       1.46046  0     93.60450  0    112.55228  0   319   3   2   -0.09390
 C       1.52047  0    110.87988  0    175.78694  0   320 319   3    0.20690
 O       1.23737  0    120.84914  0    314.34911  0   321 320 319   -0.30620
 H       1.10830  1    116.31354  1    134.85372  1   321 320 319    0.09220
 C       1.54664  1    116.43536  1     50.85981  1   320 319   3   -0.13910
 C       1.52290  1    110.53539  1    295.88438  1   324 320 319   -0.16290
 C       1.50779  1    112.40294  1    167.01317  1   325 324 320   -0.21590
 H       1.11724  1    111.12386  1     64.28868  1   326 325 324    0.07960
 H       1.11901  1    109.99336  1    183.77583  1   326 325 324    0.08610
 H       1.11734  1    110.82931  1    303.67866  1   326 325 324    0.06860
 H       1.12423  1    109.26051  1    288.89807  1   325 324 320    0.09280
 H       1.12383  1    110.18092  1     46.39483  1   325 324 320    0.07790
 C       1.51493  1    109.47961  1    173.83584  1   324 320 319   -0.21950
 H       1.11772  1    110.66253  1     56.25089  1   332 324 320    0.08060
 H       1.11704  1    110.21826  1    175.92803  1   332 324 320    0.08790
 H       1.11737  1    110.72862  1    295.41125  1   332 324 320    0.06850
 H       1.12634  1    108.40256  1     55.00625  1   324 320 319    0.10700
 H       1.13368  1    105.94596  1    292.14371  1   320 319   3    0.10790
 H       1.00330  1     19.04147  1    321.15764  1   319   3   2    0.16520
 H       1.00296  1    108.23974  1    225.03647  1   319   3   2    0.15860
 N      13.81645  0    117.46542  0    317.45664  0     3   2   1   -0.35120
 C       1.46975  0     69.59418  0    265.79365  0   340   3   2   -0.04620
 C       1.51854  0    109.42956  0     87.30937  0   341 340   3    0.27160
 O       1.22712  0    121.44309  0    110.88918  0   342 341 340   -0.42690
 N       1.33274  0    115.72040  0    292.58365  0   342 341 340   -0.36020
 C       1.46052  0    118.46101  0    181.64764  0   344 342 341   -0.02380
 C       1.52566  0    113.35886  0    280.16963  0   345 344 342    0.18570
 O       1.22406  0    121.51706  0    139.04305  0   346 345 344   -0.31970
 H       1.11419  1    115.59944  1    318.86388  1   346 345 344    0.11950
 C       1.54216  1    109.90403  1    159.64023  1   345 344 342   -0.17340
 C       1.52023  1    113.63319  1    181.30748  1   349 345 344   -0.10330
 C       1.51385  1    111.35894  1     74.91664  1   350 349 345   -0.21090
 H       1.11690  1    110.61733  1     59.29883  1   351 350 349    0.07970
 H       1.11666  1    110.13529  1    179.07162  1   351 350 349    0.06130
 H       1.11662  1    110.44114  1    298.93567  1   351 350 349    0.07950
 C       1.51618  1    109.57032  1    197.10916  1   350 349 345   -0.21900
 H       1.11792  1    110.79199  1     56.17120  1   355 350 349    0.07010
 H       1.11729  1    109.97708  1    175.78141  1   355 350 349    0.06230
 H       1.11765  1    110.79210  1    295.93678  1   355 350 349    0.10050
 H       1.12762  1    109.07428  1    315.46616  1   350 349 345    0.08890
 H       1.12246  1    108.99632  1    303.11231  1   349 345 344    0.09900
 H       1.12396  1    108.69680  1     59.46851  1   349 345 344    0.09350
 H       1.13158  1    108.13785  1     40.15304  1   345 344 342    0.11390
 H       1.00481  1    122.48491  1     10.76160  1   344 342 341    0.29690
 C       1.52220  1    114.19607  1    321.55952  1   341 340   3   -0.21820
 H       1.12000  1    111.33170  1     52.85396  1   364 341 340    0.11350
 H       1.11648  1    109.46722  1    173.61743  1   364 341 340    0.07160
 H       1.11681  1    110.03096  1    293.08271  1   364 341 340    0.08340
 H       1.13250  1    106.26580  1    202.04071  1   341 340   3    0.09850
 H       1.00694  1     41.06319  1     98.80218  1   340   3   2    0.18230
 H       1.00272  1    114.23417  1      9.76181  1   340   3   2    0.15240
 N      10.80169  0    132.34688  0    329.70543  0     3   2   1   -0.34840
 C       1.44351  0     37.18078  0     10.67837  0   371   3   2   -0.06540
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.27290
 O       1.22780  0    120.16143  0    128.71132  0   373 372 371   -0.38600
 N       1.33334  0    119.06894  0    308.22080  0   373 372 371   -0.37000
 C       1.46344  0    122.73833  0    184.27316  0   375 373 372   -0.03680
 C       1.51251  0    109.68839  0    272.90895  0   376 375 373    0.18780
 O       1.22625  0    122.47880  0    241.57476  0   377 376 375   -0.31650
 H       1.11346  1    115.20596  1     61.73891  1   377 376 375    0.10160
 C       1.53724  1    112.90383  1    149.24666  1   376 375 373   -0.12550
 C       1.48618  1    112.85530  1    307.94627  1   380 376 375   -0.09100
 C       1.39988  1    120.39894  1    288.66154  1   381 380 376   -0.11770
 C       1.39371  1    120.48221  1    179.05361  1   382 381 380   -0.12180
 C       1.39611  1    119.75826  1      0.82056  1   383 382 381   -0.12950
 C       1.39539  1    120.17812  1    359.61504  1   384 383 382   -0.13960
 C       1.39423  1    119.93586  1    359.67116  1   385 384 383   -0.13940
 H       1.10069  1    119.86033  1    181.86346  1   386 385 384    0.12100
 H       1.10269  1    120.24774  1    181.16317  1   385 384 383    0.13530
 H       1.09997  1    119.69983  1    180.78053  1   384 383 382    0.12340
 H       1.10874  1    119.75031  1    183.19207  1   383 382 381    0.18660
 H       1.10052  1    119.89508  1      0.76540  1   382 381 380    0.13530
 H       1.12309  1    109.05958  1     71.14538  1   380 376 375    0.09940
 H       1.12281  1    107.12807  1    186.97780  1   380 376 375    0.09300
 H       1.13554  1    107.64572  1     29.24091  1   376 375 373    0.13890
 H       0.99661  1    121.42176  1    354.86425  1   375 373 372    0.24560
 C       1.54230  1    111.15701  1    314.81455  1   372 371   3   -0.08640
 C       1.47091  1    111.58629  1    189.60668  1   396 372 371   -0.12490
 N       1.39818  1    124.55890  1     67.85948  1   397 396 372   -0.18540
 C       1.39516  1    106.60340  1    181.76038  1   398 397 396   -0.09610
 N       1.35338  1    111.49434  1    358.02855  1   399 398 397   -0.17600
 C       1.38870  1    105.90042  1      1.30534  1   400 399 398   -0.19150
 H       1.09034  1    121.64027  1    179.48964  1   401 400 399    0.17440
 H       1.09655  1    123.36923  1    178.59374  1   399 398 397    0.20640
 H       0.99763  1    124.64475  1    351.12667  1   398 397 396    0.29340
 H       1.12694  1    108.32849  1    310.91554  1   396 372 371    0.11710
 H       1.12267  1    110.73135  1     68.84863  1   396 372 371    0.08940
 H       1.14186  1    107.40736  1    196.97224  1   372 371   3    0.19820
 H       0.99944  1     77.07265  1    174.83616  1   371   3   2    0.15330
 H       0.99831  1    136.14326  1     69.00207  1   371   3   2    0.14990
 H       4.54985  1     99.86692  1    342.39711  1     3   2   1    0.21080
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.44200
 H       0.96647  1    103.60398  1    320.41206  1   411 410   3    0.22500

