


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.33570
 C       1.46622  0      0.00000  0      0.00000  0     1   0   0   -0.06660
 C       1.50739  0    114.62350  0      0.00000  0     2   1   0    0.16870
 O       1.25884  0    120.97328  0    314.84163  0     3   2   1   -0.30160
 H       1.10688  1    117.06210  1    137.31406  1     3   2   1    0.10940
 C       1.54600  1    108.12987  1     78.58043  1     2   3   4   -0.21330
 C       1.51416  1    114.23646  1     45.33332  1     6   2   3    0.28650
 O       1.26010  1    121.20433  1     46.03672  1     7   6   2   -0.46600
 N       1.36035  1    117.46498  1    222.29955  1     7   6   2   -0.43740
 H       0.99177  1    118.74442  1    173.77260  1     9   7   6    0.20920
 H       1.02766  1    122.17615  1      6.19490  1     9   7   6    0.29510
 H       1.12440  1    108.96797  1    164.83816  1     6   2   3    0.11290
 H       1.12906  1    108.33378  1    281.70860  1     6   2   3    0.13490
 H       1.12922  1    108.28369  1    195.88726  1     2   3   4    0.10700
 H       1.00393  1    110.59854  1    131.23859  1     1   2   3    0.16020
 H       1.00711  1    110.34088  1     12.95103  1     1   2   3    0.17700
 N       8.13001  0     73.66202  0    343.54714  0     3   2   1   -0.32490
 C       1.48397  0     48.33677  0    297.43069  0    17   3   2   -0.04460
 C       1.51580  0    111.83594  0    112.36719  0    18  17   3    0.31360
 O       1.23774  0    120.30369  0     51.63594  0    19  18  17   -0.42520
 N       1.33961  0    119.92046  0    231.94090  0    19  18  17   -0.36550
 C       1.47286  0    117.08269  0    178.99812  0    21  19  18   -0.05070
 C       1.50006  0    112.06490  0    290.64119  0    22  21  19    0.19760
 O       1.22392  0    118.76948  0    161.61124  0    23  22  21   -0.31720
 H       1.11184  1    118.69018  1    342.67699  1    23  22  21    0.09980
 C       1.54215  1    113.53012  1    165.26700  1    22  21  19   -0.07470
 C       1.46883  1    112.12998  1    266.84248  1    26  22  21   -0.17630
 C       1.39863  1    128.26762  1    101.02505  1    27  26  22   -0.04590
 N       1.39553  1    110.17481  1    180.05590  1    28  27  26   -0.20120
 C       1.39644  1    108.41567  1    358.84341  1    29  28  27   -0.01040
 C       1.44778  1    108.05701  1      1.46778  1    30  29  28   -0.07880
 C       1.39597  1    119.35678  1    178.21852  1    31  30  29   -0.08560
 C       1.38674  1    118.94685  1      0.18612  1    32  31  30   -0.16850
 C       1.40683  1    121.34885  1      0.04716  1    33  32  31   -0.13020
 C       1.38565  1    121.67469  1      0.28117  1    34  33  32   -0.13880
 H       1.09951  1    121.50129  1    180.00716  1    35  34  33    0.14600
 H       1.09972  1    119.03309  1    180.76106  1    34  33  32    0.11390
 H       1.09904  1    119.68047  1    180.72798  1    33  32  31    0.11080
 H       1.10121  1    119.69389  1    181.04878  1    32  31  30    0.14250
 H       0.99134  1    125.82971  1    187.47124  1    29  28  27    0.27100
 H       1.09571  1    129.25723  1    358.21346  1    28  27  26    0.18770
 H       1.12402  1    110.45936  1     30.26108  1    26  22  21    0.09710
 H       1.12538  1    107.79314  1    147.64086  1    26  22  21    0.09520
 H       1.13908  1    106.75911  1     46.79247  1    22  21  19    0.14960
 H       0.99460  1    124.93042  1      3.14791  1    21  19  18    0.27150
 C       1.52351  1    111.64309  1    340.51524  1    18  17   3   -0.18970
 C       1.50691  1    114.52728  1    183.90054  1    46  18  17    0.31850
 O       1.29867  1    123.72600  1     67.75966  1    47  46  18   -0.44250
 C       1.91988  0    111.05770  1    164.11777  1    48  47  46    0.21500
Cl       2.51731  1    166.53693  1     88.43987  1    49  48  47   -0.85400
 H       1.10193  1     90.23949  1    151.92665  1    49  48  47    0.12770
 H       1.09988  1     95.90111  1     33.55923  1    49  48  47    0.15140
 C       1.48411  1     99.22480  1    271.88126  1    49  48  47   -0.18100
 H       1.12497  1    109.70667  1    140.09696  1    53  49  48    0.11300
 C       1.51497  1    112.22160  1    263.62882  1    53  49  48   -0.17370
 H       1.12177  1    108.99494  1     58.84710  1    55  53  49    0.09620
 H       1.12548  1    108.98003  1    301.55919  1    55  53  49    0.08450
 C       1.50622  1    111.93794  1    179.39626  1    55  53  49   -0.22530
 H       1.11939  1    110.28478  1    297.82116  1    58  55  53    0.09500
 H       1.11721  1    110.33439  1    178.33148  1    58  55  53    0.07960
 H       1.11842  1    111.42434  1     57.82191  1    58  55  53    0.05750
 H       1.12857  1    108.83839  1     24.18580  1    53  49  48    0.13180
 O       1.26451  1    118.73508  1    245.48492  1    47  46  18   -0.55430
 H       1.12561  1    108.38373  1    303.71045  1    46  18  17    0.13910
 H       1.12357  1    111.18237  1     61.57330  1    46  18  17    0.11780
 H       1.14495  1    109.16512  1    225.18941  1    18  17   3    0.09090
 H       1.00204  1    154.19146  1    324.44550  1    17   3   2    0.14630
 H       1.00366  1     90.66443  1    183.82663  1    17   3   2    0.16740
 N      12.39849  0     94.35127  0    340.03018  0     3   2   1   -0.33000
 C       1.46232  0     47.10766  0    254.76067  0    69   3   2   -0.12830
 C       1.52242  0    109.96185  0     63.74052  0    70  69   3    0.20350
 O       1.22259  0    122.70647  0    243.71115  0    71  70  69   -0.31240
 H       1.11334  1    115.17846  1     64.57992  1    71  70  69    0.09160
 C       1.53515  1    113.25988  1    299.54890  1    70  69   3   -0.16910
 C       1.51203  1    111.21911  1    282.29838  1    74  70  69   -0.20880
 C       1.51988  1    109.13620  1    283.29670  1    75  74  70    0.31920
 O       1.27844  1    117.92007  1    269.08331  1    76  75  74   -0.63230
 O       1.26390  1    121.55946  1     88.39325  1    76  75  74   -0.56920
 H       1.11794  1    111.35119  1     44.73629  1    75  74  70    0.06250
 H       1.12209  1    108.87536  1    164.32055  1    75  74  70    0.10280
 H       1.12147  1    110.49974  1     44.81835  1    74  70  69    0.08120
 H       1.12196  1    108.83754  1    161.35258  1    74  70  69    0.10900
 H       1.13688  1    108.13575  1    180.26860  1    70  69   3    0.15750
 H       1.00222  1    133.98590  1    181.61272  1    69   3   2    0.14790
 H       1.00254  1     64.05976  1     90.82290  1    69   3   2    0.13050
 N      11.56490  0     68.79739  0    322.18196  0     3   2   1   -0.33550
 C       1.46852  0    110.47555  0    288.43467  0    86   3   2   -0.09740
 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   -0.30070
 H       1.11118  1    115.21602  1     88.44680  1    88  87  86    0.08410
 C       1.53978  1    117.08373  1     31.72399  1    87  86   3   -0.12680
 C       1.52069  1    110.81858  1    314.83304  1    91  87  86   -0.16770
 C       1.50667  1    112.75408  1    189.49962  1    92  91  87   -0.20610
 H       1.11795  1    110.98115  1     68.71248  1    93  92  91    0.06190
 H       1.11750  1    109.95888  1    188.23180  1    93  92  91    0.09160
 H       1.11668  1    110.71003  1    308.18114  1    93  92  91    0.07490
 H       1.12381  1    109.54239  1    311.53531  1    92  91  87    0.08100
 H       1.12543  1    109.15377  1     68.96826  1    92  91  87    0.09500
 C       1.51488  1    108.83585  1    191.52557  1    91  87  86   -0.20040
 H       1.11701  1    110.72558  1     70.59076  1    99  91  87    0.07000
 H       1.11665  1    110.29623  1    190.65821  1    99  91  87    0.07880
 H       1.11750  1    110.16610  1    310.25102  1    99  91  87    0.05970
 H       1.12732  1    108.25493  1     73.68184  1    91  87  86    0.10940
 H       1.13091  1    107.08281  1    270.44649  1    87  86   3    0.10660
 H       1.00254  1     36.26060  1    193.56485  1    86   3   2    0.15740
 H       1.00256  1     74.28466  1     34.40596  1    86   3   2    0.16030
 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   -0.06620
 C       1.52471  0    108.13509  0    213.77101  0   108 107   3    0.28190
 O       1.23815  0    116.57639  0    317.15529  0   109 108 107   -0.43320
 N       1.32775  0    118.30977  0    135.45248  0   109 108 107   -0.28440
 C       1.47342  0    117.86350  0    184.47984  0   111 109 108   -0.04520
 C       1.52829  0    110.25216  0    303.63816  0   112 111 109    0.18100
 O       1.23221  0    122.94278  0    317.80146  0   113 112 111   -0.28910
 H       1.11132  1    114.74278  1    138.55887  1   113 112 111    0.09710
 C       1.54199  1    106.67186  1    183.57237  1   112 111 109   -0.15240
 C       1.52704  1    106.37333  1      7.09089  1   116 112 111   -0.17580
 C       1.53798  1    106.99006  1    350.54289  1   117 116 112   -0.01340
 H       1.12605  1    111.30557  1    128.50902  1   118 117 116    0.09940
 H       1.12651  1    110.35946  1    249.29773  1   118 117 116    0.09420
 H       1.11891  1    110.53455  1    110.78492  1   117 116 112    0.12020
 H       1.12006  1    110.50674  1    230.97651  1   117 116 112    0.12120
 H       1.11819  1    110.95609  1    127.58624  1   116 112 111    0.10810
 H       1.11817  1    109.71163  1    247.66041  1   116 112 111    0.10680
 H       1.12513  1    108.82102  1     63.05065  1   112 111 109    0.11310
 C       1.54298  1    111.88255  1     94.07414  1   108 107   3   -0.11260
 C       1.48677  1    111.68372  1    228.18089  1   126 108 107   -0.09670
 C       1.40042  1    119.88051  1     76.51941  1   127 126 108   -0.12010
 C       1.39256  1    120.20192  1    178.60434  1   128 127 126   -0.14710
 C       1.39531  1    120.12664  1    359.90627  1   129 128 127   -0.12820
 C       1.39451  1    119.87614  1      0.18266  1   130 129 128   -0.13500
 C       1.39444  1    120.19921  1      0.00000  1   131 130 129   -0.11470
 H       1.10134  1    119.82337  1    179.41747  1   132 131 130    0.14520
 H       1.10286  1    119.88310  1    180.35741  1   131 130 129    0.14620
 H       1.10153  1    120.05677  1    180.16453  1   130 129 128    0.14170
 H       1.09990  1    119.94708  1    179.82198  1   129 128 127    0.12660
 H       1.10002  1    119.58143  1    358.36089  1   128 127 126    0.13140
 H       1.12426  1    109.98862  1    348.74605  1   126 108 107    0.09990
 H       1.12249  1    109.19094  1    105.89364  1   126 108 107    0.10120
 H       1.12958  1    106.74227  1    334.72654  1   108 107   3    0.13040
 H       1.00381  1    133.41334  1    242.40181  1   107   3   2    0.14640
 H       1.00200  1    105.22890  1    107.42415  1   107   3   2    0.14100
 N      16.72432  0    124.91452  0    276.79549  0     3   2   1   -0.35310
 C       1.46982  0     76.68359  0    213.57442  0   143   3   2   -0.04220
 C       1.52299  0    110.19106  0     52.87280  0   144 143   3    0.26740
 O       1.24638  0    120.17788  0    138.05139  0   145 144 143   -0.41410
 N       1.35028  0    117.73900  0    319.49297  0   145 144 143   -0.34860
 C       1.46683  0    116.78461  0    184.83260  0   147 145 144   -0.04090
 C       1.52793  0    113.40179  0    245.30481  0   148 147 145    0.19800
 O       1.22892  0    121.51607  0    191.21863  0   149 148 147   -0.35000
 H       1.11347  1    117.06929  1     11.35064  1   149 148 147    0.09840
 C       1.54640  1    112.41456  1    123.31289  1   148 147 145   -0.21870
 C       1.53135  1    114.78797  1    339.27481  1   152 148 147    0.31760
 O       1.26493  1    119.38688  1    249.79916  1   153 152 148   -0.57040
 O       1.27007  1    118.50756  1     70.16128  1   153 152 148   -0.59700
 H       1.12111  1    109.52212  1     99.55326  1   152 148 147    0.08110
 H       1.11825  1    107.88716  1    217.00997  1   152 148 147    0.08850
 H       1.13406  1    109.09782  1      3.42339  1   148 147 145    0.14810
 H       1.00329  1    122.56532  1    338.32409  1   147 145 144    0.27790
 C       1.52919  1    115.36021  1    283.78467  1   144 143   3   -0.13180
 C       1.50458  1    113.11327  1     90.09296  1   160 144 143   -0.21440
 C       1.51488  1    112.78492  1    175.98019  1   161 160 144    0.30890
 O       1.25553  1    123.12180  1     13.22151  1   162 161 160   -0.44860
 N       1.36557  1    115.66553  1    193.29682  1   162 161 160   -0.42430
 H       0.98680  1    120.28745  1    184.39670  1   164 162 161    0.20690
 H       1.00377  1    119.91548  1    359.02611  1   164 162 161    0.28300
 H       1.12660  1    111.07880  1    297.11486  1   161 160 144    0.14140
 H       1.12788  1    110.55306  1     55.41770  1   161 160 144    0.13770
 H       1.12311  1    107.66713  1    210.51669  1   160 144 143    0.09420
 H       1.12214  1    110.10574  1    326.66250  1   160 144 143    0.10350
 H       1.13490  1    105.08860  1    166.54645  1   144 143   3    0.10770
 H       1.00273  1     45.53342  1     76.11437  1   143   3   2    0.14270
 H       1.00174  1     94.10972  1    323.86616  1   143   3   2    0.15360
 N      13.04654  0    105.94724  0    247.79105  0     3   2   1   -0.33600
 C       1.46056  0     63.27013  0      7.06520  0   174   3   2   -0.10020
 C       1.52568  0    111.29303  0    196.21750  0   175 174   3    0.19420
 O       1.24426  0    120.37505  0    147.13265  0   176 175 174   -0.33070
 H       1.10953  1    117.92352  1    326.15210  1   176 175 174    0.10160
 C       1.54271  1    116.28584  1     73.04356  1   175 174   3   -0.14130
 C       1.48813  1    111.56830  1    277.98410  1   179 175 174   -0.09810
 C       1.39672  1    120.02854  1     76.77319  1   180 179 175   -0.14350
 C       1.39302  1    120.48008  1    177.96493  1   181 180 179   -0.12350
 C       1.39251  1    119.91875  1      0.36805  1   182 181 180   -0.14130
 C       1.39558  1    120.13595  1      0.05053  1   183 182 181   -0.15730
 C       1.39399  1    119.92547  1    359.78621  1   184 183 182   -0.13790
 H       1.10053  1    119.78539  1    181.10139  1   185 184 183    0.12840
 H       1.10750  1    119.44733  1    180.76129  1   184 183 182    0.17390
 H       1.10267  1    119.67673  1    180.43366  1   183 182 181    0.14600
 H       1.10263  1    119.70530  1    181.23261  1   182 181 180    0.15410
 H       1.10180  1    120.24669  1    359.01921  1   181 180 179    0.15810
 H       1.12400  1    109.73756  1     39.13769  1   179 175 174    0.10250
 H       1.12240  1    109.08091  1    156.59150  1   179 175 174    0.09790
 H       1.13530  1    106.69468  1    312.82994  1   175 174   3    0.12580
 H       1.00366  1     46.51590  1    177.91746  1   174   3   2    0.17100
 H       1.00383  1    129.73711  1    102.08675  1   174   3   2    0.15390
 N      13.97432  0     94.15818  0    232.02148  0     3   2   1   -0.33500
 C       1.46430  0     52.34679  0    324.34835  0   196   3   2   -0.10340
 C       1.53456  0    111.47344  0    135.31213  0   197 196   3    0.20050
 O       1.23123  0    117.86153  0    140.04507  0   198 197 196   -0.30890
 H       1.10731  1    118.12703  1    318.74138  1   198 197 196    0.11820
 C       1.53573  1    115.34921  1     12.65620  1   197 196   3   -0.16550
 C       1.48800  1    114.05549  1    300.75030  1   201 197 196   -0.07200
 C       1.39920  1    122.70081  1    331.36139  1   202 201 197   -0.15230
 C       1.39510  1    120.46535  1    180.90025  1   203 202 201   -0.12540
 C       1.39337  1    120.29581  1      0.51316  1   204 203 202   -0.13020
 C       1.39519  1    119.62503  1      0.18776  1   205 204 203   -0.12410
 C       1.39301  1    120.18434  1    359.66294  1   206 205 204   -0.12600
 H       1.10340  1    119.54254  1    179.97713  1   207 206 205    0.14440
 H       1.10282  1    119.98747  1    179.42527  1   206 205 204    0.15270
 H       1.10061  1    120.64736  1    180.39506  1   205 204 203    0.13430
 H       1.09954  1    119.68269  1    180.78533  1   204 203 202    0.12200
 H       1.09972  1    120.53301  1      0.76750  1   203 202 201    0.12700
 H       1.12661  1    108.75099  1     63.05281  1   201 197 196    0.11500
 H       1.12448  1    108.30972  1    179.62605  1   201 197 196    0.10120
 H       1.13133  1    106.66516  1    251.79519  1   197 196   3    0.11610
 H       1.00333  1     70.61020  1    189.63258  1   196   3   2    0.15630
 H       1.00457  1     89.78586  1     79.92429  1   196   3   2    0.15290
 N       8.60260  0    120.32027  0    196.08209  0     3   2   1   -0.32930
 C       1.47619  0     20.65117  0    143.41566  0   218   3   2   -0.11450
 C       1.52552  0    110.97429  0     90.17809  0   219 218   3    0.20040
 O       1.23450  0    120.01759  0    133.33311  0   220 219 218   -0.29190
 H       1.10903  1    117.25289  1    311.56737  1   220 219 218    0.09520
 C       1.54031  1    115.02254  1    327.24834  1   219 218   3   -0.13950
 C       1.48486  1    110.91618  1    219.06379  1   223 219 218   -0.10910
 C       1.40029  1    120.27212  1    279.91620  1   224 223 219   -0.12010
 C       1.39384  1    120.26598  1    181.16678  1   225 224 223   -0.12600
 C       1.39502  1    119.86943  1    359.06125  1   226 225 224   -0.10060
 C       1.39465  1    120.04588  1    359.57413  1   227 226 225   -0.13380
 C       1.39252  1    120.17945  1      1.27091  1   228 227 226   -0.14970
 H       1.09993  1    119.89117  1    179.65448  1   229 228 227    0.12190
 H       1.10300  1    118.96734  1    181.44747  1   228 227 226    0.14340
 H       1.10534  1    120.54153  1    177.23553  1   227 226 225    0.17210
 H       1.10270  1    120.17317  1    178.70443  1   226 225 224    0.15160
 H       1.10058  1    119.67435  1      1.41687  1   225 224 223    0.13220
 H       1.12398  1    109.91022  1    340.21337  1   223 219 218    0.08500
 H       1.12315  1    110.02037  1     97.44857  1   223 219 218    0.09480
 H       1.13449  1    106.34250  1    206.87812  1   219 218   3    0.14000
 H       1.00134  1    111.48778  1     56.92980  1   218   3   2    0.14950
 H       1.00155  1     90.10199  1    306.88206  1   218   3   2    0.13140
 N       9.32589  0    148.49850  0    217.13966  0     3   2   1   -0.32250
 C       1.47774  0     57.95963  0    104.42399  0   240   3   2   -0.11460
 C       1.51432  0    111.43394  0     71.58897  0   241 240   3    0.21630
 O       1.23796  0    120.10755  0    131.27173  0   242 241 240   -0.31600
 H       1.10985  1    117.35851  1    309.63062  1   242 241 240    0.10240
 C       1.54759  1    114.35502  1    308.37878  1   241 240   3   -0.13280
 C       1.51432  1    110.42600  1    180.98628  1   245 241 240   -0.22100
 H       1.11816  1    110.81525  1     62.66571  1   246 245 241    0.10980
 H       1.11864  1    110.07486  1    182.90857  1   246 245 241    0.07800
 H       1.11807  1    110.83091  1    302.39803  1   246 245 241    0.07840
 C       1.51473  1    110.43531  1    302.50588  1   245 241 240   -0.22380
 H       1.11727  1    111.37037  1     69.16900  1   250 245 241    0.05080
 H       1.11816  1    109.96865  1    188.58791  1   250 245 241    0.08600
 H       1.11719  1    110.56110  1    308.09834  1   250 245 241    0.09300
 H       1.12920  1    108.39264  1     61.69742  1   245 241 240    0.10070
 H       1.13276  1    106.78031  1    189.27513  1   241 240   3    0.13840
 H       1.00176  1    121.36888  1     11.29676  1   240   3   2    0.14090
 H       1.00396  1     51.20095  1    282.16548  1   240   3   2    0.13740
 N      10.70920  0    161.02234  0    300.98350  0     3   2   1   -0.33200
 C       1.47447  0     83.51123  0     40.16297  0   258   3   2   -0.09970
 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   -0.33080
 H       1.11286  1    116.45543  1     28.97948  1   260 259 258    0.09940
 C       1.53225  1    114.30799  1    323.32077  1   259 258   3   -0.19820
 C       1.52334  1    111.74976  1    280.53814  1   263 259 258   -0.10780
 C       1.51473  1    111.13350  1    154.18320  1   264 263 259   -0.21810
 H       1.11672  1    110.59990  1     64.58164  1   265 264 263    0.06810
 H       1.12145  1    109.44454  1    184.97264  1   265 264 263    0.12060
 H       1.11764  1    110.45730  1    304.18442  1   265 264 263    0.06600
 C       1.51573  1    110.94493  1    276.86438  1   264 263 259   -0.22330
 H       1.11646  1    110.64873  1     66.65649  1   269 264 263    0.05610
 H       1.11781  1    110.01828  1    186.83957  1   269 264 263    0.10210
 H       1.11876  1    110.86767  1    306.28272  1   269 264 263    0.08690
 H       1.12765  1    108.92140  1     36.29947  1   264 263 259    0.08640
 H       1.12388  1    109.64012  1     42.53135  1   263 259 258    0.09360
 H       1.12131  1    109.02421  1    159.63568  1   263 259 258    0.10530
 H       1.13613  1    106.52755  1    204.45598  1   259 258   3    0.12310
 H       1.00350  1     99.64170  1    292.39118  1   258   3   2    0.16070
 H       1.00420  1     31.68197  1    185.01603  1   258   3   2    0.14740
 N       8.36458  0     47.62805  0    220.21231  0     3   2   1   -0.33390
 C       1.47835  0     61.24542  0     67.22159  0   279   3   2   -0.03750
 C       1.51781  0    114.00427  0    109.21645  0   280 279   3    0.28100
 O       1.24606  0    120.23596  0    130.28049  0   281 280 279   -0.42380
 N       1.33720  0    121.52500  0    307.87372  0   281 280 279   -0.29760
 C       1.46123  0    119.81866  0    181.42204  0   283 281 280   -0.04810
 C       1.52311  0    110.76539  0    298.61277  0   284 283 281    0.18580
 O       1.22828  0    119.95573  0    154.36018  0   285 284 283   -0.28740
 H       1.11074  1    117.69144  1    334.51255  1   285 284 283    0.09200
 C       1.54057  1    107.62985  1    176.85039  1   284 283 281   -0.15450
 C       1.52353  1    106.46646  1    359.83975  1   288 284 283   -0.17060
 C       1.53779  1    106.74658  1      1.81490  1   289 288 284   -0.02350
 H       1.12606  1    108.93816  1    117.06080  1   290 289 288    0.06060
 H       1.12440  1    110.49338  1    236.54092  1   290 289 288    0.11210
 H       1.11750  1    111.03248  1    121.99349  1   289 288 284    0.07910
 H       1.12028  1    110.87269  1    242.28627  1   289 288 284    0.11690
 H       1.11825  1    110.87177  1    121.07212  1   288 284 283    0.08350
 H       1.12095  1    109.45824  1    240.37371  1   288 284 283    0.12600
 H       1.13508  1    108.63253  1     57.75287  1   284 283 281    0.16490
 C       1.53639  1    113.88036  1    341.56006  1   280 279   3   -0.10040
 C       1.46909  1    113.02141  1    315.13595  1   298 280 279   -0.13580
 C       1.39515  1    125.70613  1    117.35978  1   299 298 280   -0.08210
 N       1.40058  1    110.39439  1    179.34134  1   300 299 298   -0.21090
 C       1.40058  1    108.00758  1    356.21615  1   301 300 299   -0.00310
 C       1.44834  1    108.24298  1      3.53805  1   302 301 300   -0.06130
 C       1.39417  1    119.21983  1    178.64533  1   303 302 301   -0.06020
 C       1.38887  1    118.99554  1      0.00000  1   304 303 302   -0.16950
 C       1.40440  1    121.40809  1    359.65021  1   305 304 303   -0.12110
 C       1.38735  1    121.52506  1      0.33695  1   306 305 304   -0.16080
 H       1.09710  1    121.17495  1    179.95127  1   307 306 305    0.12110
 H       1.09969  1    119.07504  1    179.93321  1   306 305 304    0.11500
 H       1.09956  1    119.51843  1    179.12850  1   305 304 303    0.12550
 H       1.10021  1    120.18129  1    179.75820  1   304 303 302    0.14440
 H       0.98553  1    124.06941  1    196.82372  1   301 300 299    0.24170
 H       1.09721  1    129.36457  1    359.21576  1   300 299 298    0.18900
 H       1.12389  1    110.39733  1     78.28206  1   298 280 279    0.10580
 H       1.12565  1    107.44871  1    194.65974  1   298 280 279    0.11560
 H       1.13529  1    104.73852  1    224.40435  1   280 279   3    0.13240
 H       1.00103  1     50.78737  1    231.02844  1   279   3   2    0.14620
 H       1.00005  1    137.98316  1    156.28073  1   279   3   2    0.13890
 N      11.52547  0     55.38112  0    264.52042  0     3   2   1   -0.34640
 C       1.46046  0     93.60450  0    112.55228  0   319   3   2   -0.09340
 C       1.52047  0    110.87988  0    175.78694  0   320 319   3    0.20570
 O       1.23737  0    120.84914  0    314.34911  0   321 320 319   -0.30470
 H       1.10831  1    116.33636  1    135.09565  1   321 320 319    0.08980
 C       1.54643  1    116.04704  1     50.17126  1   320 319   3   -0.13960
 C       1.52415  1    110.32110  1    297.26097  1   324 320 319   -0.16120
 C       1.50701  1    112.80910  1    167.66312  1   325 324 320   -0.22440
 H       1.11687  1    111.09825  1     69.35785  1   326 325 324    0.06840
 H       1.12165  1    109.99218  1    189.19883  1   326 325 324    0.11120
 H       1.11751  1    110.75495  1    308.71911  1   326 325 324    0.06900
 H       1.12391  1    109.13089  1    289.77210  1   325 324 320    0.08530
 H       1.12403  1    110.30623  1     47.27953  1   325 324 320    0.08610
 C       1.51431  1    109.64153  1    175.10856  1   324 320 319   -0.21780
 H       1.11765  1    110.77011  1     56.33714  1   332 324 320    0.07520
 H       1.11730  1    110.04709  1    176.00160  1   332 324 320    0.08790
 H       1.11737  1    110.70267  1    295.58037  1   332 324 320    0.06650
 H       1.12634  1    108.37744  1     56.24985  1   324 320 319    0.10900
 H       1.13434  1    105.70359  1    291.84718  1   320 319   3    0.10360
 H       1.00323  1     18.77840  1    318.43423  1   319   3   2    0.16790
 H       1.00305  1    108.95763  1    225.23384  1   319   3   2    0.15990
 N      13.81645  0    117.46542  0    317.45664  0     3   2   1   -0.35070
 C       1.46975  0     69.59418  0    265.79365  0   340   3   2   -0.04870
 C       1.51854  0    109.42956  0     87.30937  0   341 340   3    0.27460
 O       1.22712  0    121.44309  0    110.88918  0   342 341 340   -0.42220
 N       1.33274  0    115.72040  0    292.58365  0   342 341 340   -0.35980
 C       1.46052  0    118.46101  0    181.64764  0   344 342 341   -0.02720
 C       1.52566  0    113.35886  0    280.16963  0   345 344 342    0.18220
 O       1.22406  0    121.51706  0    139.04305  0   346 345 344   -0.31780
 H       1.11455  1    115.48804  1    318.80171  1   346 345 344    0.12220
 C       1.53929  1    111.93751  1    158.58337  1   345 344 342   -0.17000
 C       1.52254  1    111.50179  1    198.05485  1   349 345 344   -0.10690
 C       1.51451  1    111.10015  1     80.17674  1   350 349 345   -0.20260
 H       1.11700  1    110.65034  1     61.17806  1   351 350 349    0.07570
 H       1.11677  1    110.29649  1    180.77150  1   351 350 349    0.06620
 H       1.11689  1    110.65084  1    300.76355  1   351 350 349    0.07610
 C       1.51451  1    110.29758  1    202.48682  1   350 349 345   -0.21690
 H       1.11684  1    110.78564  1     59.31038  1   355 350 349    0.06680
 H       1.11783  1    109.97564  1    179.07812  1   355 350 349    0.06740
 H       1.11733  1    110.65567  1    298.95206  1   355 350 349    0.08860
 H       1.12857  1    108.48413  1    321.05248  1   350 349 345    0.09620
 H       1.12271  1    109.99264  1    319.24888  1   349 345 344    0.09970
 H       1.12201  1    108.84632  1     76.46291  1   349 345 344    0.08720
 H       1.13411  1    107.30775  1     39.00061  1   345 344 342    0.11600
 H       1.00386  1    122.38104  1     12.00382  1   344 342 341    0.29260
 C       1.52215  1    114.40911  1    321.47613  1   341 340   3   -0.21700
 H       1.11981  1    110.82332  1     52.82949  1   364 341 340    0.10940
 H       1.11651  1    109.47696  1    173.62529  1   364 341 340    0.07360
 H       1.11685  1    110.00901  1    293.05211  1   364 341 340    0.08450
 H       1.13276  1    106.17730  1    201.97837  1   341 340   3    0.10040
 H       1.00637  1     42.14803  1    104.21212  1   340   3   2    0.18110
 H       1.00257  1    110.99109  1     10.74780  1   340   3   2    0.15190
 N      10.80169  0    132.34688  0    329.70543  0     3   2   1   -0.34830
 C       1.44351  0     37.18078  0     10.67837  0   371   3   2   -0.06090
 C       1.52058  0    113.71970  0     78.47512  0   372 371   3    0.26900
 O       1.22780  0    120.16143  0    128.71132  0   373 372 371   -0.38760
 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   -0.03520
 C       1.51251  0    109.68839  0    272.90895  0   376 375 373    0.18760
 O       1.22625  0    122.47880  0    241.57476  0   377 376 375   -0.31420
 H       1.11342  1    115.20300  1     61.74920  1   377 376 375    0.10130
 C       1.53666  1    112.94217  1    149.07422  1   376 375 373   -0.12520
 C       1.48638  1    113.06005  1    308.75370  1   380 376 375   -0.09250
 C       1.40125  1    120.50644  1    290.40392  1   381 380 376   -0.11850
 C       1.39378  1    120.44764  1    179.26851  1   382 381 380   -0.12750
 C       1.39557  1    119.84441  1      0.55767  1   383 382 381   -0.12620
 C       1.39457  1    120.16234  1    359.34720  1   384 383 382   -0.13690
 C       1.39472  1    119.93646  1      0.42278  1   385 384 383   -0.13800
 H       1.10020  1    119.82593  1    180.83495  1   386 385 384    0.12080
 H       1.10267  1    120.19761  1    181.35642  1   385 384 383    0.13880
 H       1.10040  1    119.72000  1    180.60150  1   384 383 382    0.12930
 H       1.10746  1    119.81198  1    181.61489  1   383 382 381    0.17790
 H       1.10055  1    119.87606  1      0.96112  1   382 381 380    0.13460
 H       1.12309  1    109.02852  1     71.98070  1   380 376 375    0.10040
 H       1.12293  1    107.09658  1    187.81762  1   380 376 375    0.09370
 H       1.13562  1    107.63638  1     28.99154  1   376 375 373    0.13590
 H       0.99671  1    121.44135  1    355.37281  1   375 373 372    0.24690
 C       1.54256  1    111.04566  1    315.03304  1   372 371   3   -0.09090
 C       1.47134  1    111.46661  1    193.08923  1   396 372 371   -0.11100
 N       1.39791  1    124.02133  1     68.62519  1   397 396 372   -0.18040
 C       1.39392  1    106.68606  1    182.17574  1   398 397 396   -0.10190
 N       1.35380  1    111.39674  1    357.87381  1   399 398 397   -0.18810
 C       1.39001  1    106.02863  1      1.52775  1   400 399 398   -0.19450
 H       1.09059  1    121.89294  1    179.40218  1   401 400 399    0.17560
 H       1.09521  1    123.02328  1    178.72810  1   399 398 397    0.19840
 H       0.99840  1    124.64910  1    350.93982  1   398 397 396    0.29580
 H       1.12698  1    108.52401  1    314.24047  1   396 372 371    0.11970
 H       1.12264  1    110.90194  1     72.11812  1   396 372 371    0.09270
 H       1.14177  1    107.26462  1    196.73983  1   372 371   3    0.19780
 H       0.99952  1     77.08845  1    175.14717  1   371   3   2    0.15490
 H       0.99825  1    136.12569  1     69.21111  1   371   3   2    0.15100
 H       4.48618  1    101.33188  1    340.17205  1     3   2   1    0.20810
 O       3.61947  0     99.16701  0    345.70505  0     3   2   1   -0.42960
 H       0.96475  1    103.77545  1    322.06546  1   411 410   3    0.21600

