


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.31830
 C       1.43303  0      0.00000  0      0.00000  0     1   0   0   -0.07240
 C       1.48960  0    114.37444  0      0.00000  0     2   1   0    0.28980
 O       1.22130  0    115.94220  0     35.04188  0     3   2   1   -0.42260
 N       1.33077  0    117.40408  0    215.46347  0     3   2   1   -0.36360
 C       1.45261  0    123.47676  0    179.50902  0     5   3   2   -0.02490
 C       1.53773  0    111.93592  0    301.16164  0     6   5   3    0.17950
 O       1.25976  0    125.77695  0    157.62358  0     7   6   5   -0.31890
 H       1.11319  1    115.13281  1    337.93229  1     7   6   5    0.08950
 C       1.54147  1    113.92262  1    179.82292  1     6   5   3   -0.07880
 C       1.46542  1    112.84837  1    283.06591  1    10   6   5   -0.19780
 C       1.39828  1    126.17554  1     87.52003  1    11  10   6   -0.04000
 N       1.39279  1    110.11588  1    178.13525  1    12  11  10   -0.21170
 C       1.39713  1    108.55931  1      0.80707  1    13  12  11   -0.01340
 C       1.45002  1    107.97366  1    359.16245  1    14  13  12   -0.06390
 C       1.39480  1    119.25951  1    180.69313  1    15  14  13   -0.09170
 C       1.38780  1    119.03884  1    359.89530  1    16  15  14   -0.16480
 C       1.40541  1    121.33881  1      0.02292  1    17  16  15   -0.13180
 C       1.38685  1    121.58198  1      0.05039  1    18  17  16   -0.14300
 H       1.09756  1    121.22065  1    180.10238  1    19  18  17    0.12610
 H       1.09965  1    119.03445  1    180.17094  1    18  17  16    0.11640
 H       1.09927  1    119.67690  1    180.19690  1    17  16  15    0.11770
 H       1.09954  1    119.98063  1    180.16095  1    16  15  14    0.13330
 H       0.98862  1    125.34463  1    174.67145  1    13  12  11    0.26160
 H       1.10279  1    128.69633  1    357.45835  1    12  11  10    0.23390
 H       1.12374  1    109.82568  1     46.04124  1    10   6   5    0.09760
 H       1.12525  1    107.08322  1    162.97534  1    10   6   5    0.09670
 H       1.13315  1    108.44440  1     58.75961  1     6   5   3    0.12640
 H       1.00503  1    121.74529  1    356.23334  1     5   3   2    0.28660
 C       1.54390  1    116.54382  1    164.20666  1     2   3   4   -0.21410
 C       1.52419  1    111.90113  1     72.78927  1    30   2   3    0.32270
 O       1.27430  1    117.97926  1    244.71221  1    31  30   2   -0.61820
 O       1.26472  1    120.65489  1     64.31228  1    31  30   2   -0.57730
 C       2.58484  0    112.88720  1    184.65177  1    33  31  30   -0.09080
Cl       1.78893  1    160.54143  1    350.81395  1    34  33  31   -0.22870
 H       1.12467  1     57.35147  1     23.12495  1    34  33  31    0.18970
 H       1.11500  1     73.85416  1    256.84362  1    34  33  31    0.13340
 C       1.49883  1     85.03761  1    141.93616  1    34  33  31   -0.10930
 H       1.11521  1    112.19458  1    247.68336  1    38  34  33    0.10080
 H       1.12278  1    108.20979  1      9.95139  1    38  34  33    0.17070
Cl       1.76737  1    113.04218  1    128.06528  1    38  34  33   -0.17000
 H       1.12167  1    109.19350  1    190.94347  1    30   2   3    0.10480
 H       1.11837  1    110.69880  1    309.62688  1    30   2   3    0.07360
 H       1.14452  1    104.67250  1    279.49102  1     2   3   4    0.14230
 H       1.00251  1    110.64476  1     71.80767  1     1   2   3    0.12650
 H       1.00465  1    110.20121  1    312.15243  1     1   2   3    0.15090
 N      14.20335  0     59.28055  0    165.82135  0     3   2   1   -0.32970
 C       1.46213  0     44.41215  0     98.20624  0    47   3   2   -0.10440
 C       1.54890  0    109.51012  0    112.42708  0    48  47   3    0.20620
 O       1.23101  0    125.00583  0    126.76891  0    49  48  47   -0.27580
 H       1.11362  1    113.74381  1    305.38033  1    49  48  47    0.07640
 C       1.53800  1    113.82580  1    350.17972  1    48  47   3   -0.10500
 C       1.46516  1    114.16318  1    191.50730  1    52  48  47   -0.19100
 C       1.39963  1    124.81132  1    234.24616  1    53  52  48   -0.04140
 N       1.39075  1    110.33783  1    182.99872  1    54  53  52   -0.19460
 C       1.39675  1    108.36771  1      1.26179  1    55  54  53   -0.00300
 C       1.44987  1    108.14855  1    358.98305  1    56  55  54   -0.06230
 C       1.39613  1    118.99224  1    179.91732  1    57  56  55   -0.09390
 C       1.38668  1    119.17768  1      0.25994  1    58  57  56   -0.15910
 C       1.40629  1    121.37455  1    359.90865  1    59  58  57   -0.12570
 C       1.38565  1    121.52879  1    359.91760  1    60  59  58   -0.13210
 H       1.09824  1    121.33044  1    180.43804  1    61  60  59    0.13670
 H       1.09987  1    119.04825  1    180.12167  1    60  59  58    0.12220
 H       1.09940  1    119.70239  1    179.96674  1    59  58  57    0.11910
 H       1.09889  1    120.22884  1    180.42107  1    58  57  56    0.12200
 H       0.98893  1    125.32537  1    174.32312  1    55  54  53    0.26840
 H       1.09495  1    129.31248  1      2.04410  1    54  53  52    0.18370
 H       1.12673  1    108.31691  1    312.37502  1    52  48  47    0.08610
 H       1.12471  1    109.06847  1     68.64029  1    52  48  47    0.08170
 H       1.12948  1    107.67342  1    229.43879  1    48  47   3    0.12990
 H       1.00142  1     93.46613  1    343.88729  1    47   3   2    0.14600
 H       1.00188  1     77.27387  1    235.62067  1    47   3   2    0.13520

