


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.31880
 C       1.43303  0      0.00000  0      0.00000  0     1   0   0   -0.07190
 C       1.48960  0    114.37444  0      0.00000  0     2   1   0    0.28940
 O       1.22130  0    115.94220  0     35.04188  0     3   2   1   -0.41680
 N       1.33077  0    117.40408  0    215.46347  0     3   2   1   -0.36130
 C       1.45261  0    123.47676  0    179.50902  0     5   3   2   -0.02730
 C       1.53773  0    111.93592  0    301.16164  0     6   5   3    0.17930
 O       1.25976  0    125.77695  0    157.62358  0     7   6   5   -0.31570
 H       1.11317  1    115.13136  1    338.00941  1     7   6   5    0.08900
 C       1.54093  1    113.87506  1    178.99229  1     6   5   3   -0.07680
 C       1.46569  1    112.57586  1    286.37879  1    10   6   5   -0.20530
 C       1.39915  1    126.35074  1     89.78108  1    11  10   6   -0.04500
 N       1.39237  1    110.35855  1    178.17254  1    12  11  10   -0.20650
 C       1.39745  1    108.28976  1      1.70559  1    13  12  11   -0.01330
 C       1.45028  1    108.14051  1    358.12428  1    14  13  12   -0.06640
 C       1.39490  1    119.31345  1    181.49482  1    15  14  13   -0.09440
 C       1.38750  1    119.03541  1    359.73931  1    16  15  14   -0.16480
 C       1.40567  1    121.32232  1      0.03589  1    17  16  15   -0.13390
 C       1.38658  1    121.59028  1      0.14307  1    18  17  16   -0.13850
 H       1.09781  1    121.27602  1    180.06432  1    19  18  17    0.12910
 H       1.09964  1    119.02022  1    180.25762  1    18  17  16    0.11600
 H       1.09923  1    119.69507  1    180.19714  1    17  16  15    0.11670
 H       1.09941  1    119.98260  1    179.94438  1    16  15  14    0.13090
 H       0.99704  1    124.46198  1    168.24937  1    13  12  11    0.27790
 H       1.10158  1    128.85483  1    357.92356  1    12  11  10    0.22630
 H       1.12340  1    109.87363  1     49.35105  1    10   6   5    0.09480
 H       1.12501  1    106.94192  1    166.27289  1    10   6   5    0.09860
 H       1.13388  1    108.23694  1     58.42506  1     6   5   3    0.12780
 H       1.00269  1    121.86386  1    356.74636  1     5   3   2    0.27920
 C       1.54407  1    116.54048  1    163.42431  1     2   3   4   -0.20710
 C       1.51886  1    112.41732  1     71.84757  1    30   2   3    0.32110
 O       1.26657  1    118.79490  1    240.08700  1    31  30   2   -0.57580
 O       1.27660  1    120.16823  1     59.31776  1    31  30   2   -0.57470
 C       2.03484  0    118.13903  1    188.96894  1    33  31  30    0.10520
Cl       1.94487  1    165.40199  1    349.41511  1    34  33  31   -0.46070
 H       1.11044  1     76.46537  1     46.60250  1    34  33  31    0.14470
 H       1.10768  1     76.81172  1    282.34321  1    34  33  31    0.14910
 C       1.50008  1     89.86473  1    163.21816  1    34  33  31   -0.11150
 H       1.11670  1    111.37912  1    233.28045  1    38  34  33    0.10160
 H       1.12103  1    110.32603  1    355.78248  1    38  34  33    0.15500
Cl       1.76400  1    113.02348  1    114.00702  1    38  34  33   -0.15150
 H       1.12244  1    109.14060  1    190.13555  1    30   2   3    0.11060
 H       1.11898  1    110.70710  1    308.75033  1    30   2   3    0.07990
 H       1.14387  1    104.82937  1    279.06812  1     2   3   4    0.14240
 H       1.00249  1    110.66605  1     70.44712  1     1   2   3    0.12900
 H       1.00458  1    110.19489  1    310.72746  1     1   2   3    0.15320
 N      14.20335  0     59.28055  0    165.82135  0     3   2   1   -0.33020
 C       1.46213  0     44.41215  0     98.20624  0    47   3   2   -0.10380
 C       1.54890  0    109.51012  0    112.42708  0    48  47   3    0.20780
 O       1.23101  0    125.00583  0    126.76891  0    49  48  47   -0.27590
 H       1.11351  1    113.72560  1    305.28002  1    49  48  47    0.07580
 C       1.53858  1    113.50878  1    350.55838  1    48  47   3   -0.10200
 C       1.46450  1    114.83361  1    184.19630  1    52  48  47   -0.20390
 C       1.40136  1    124.57617  1    233.75441  1    53  52  48   -0.03370
 N       1.38885  1    110.43926  1    183.39639  1    54  53  52   -0.18720
 C       1.39672  1    108.31556  1      1.64365  1    55  54  53   -0.00610
 C       1.45069  1    108.17830  1    358.60962  1    56  55  54   -0.05990
 C       1.39601  1    119.00066  1    180.26514  1    57  56  55   -0.09460
 C       1.38660  1    119.19427  1      0.13640  1    58  57  56   -0.16010
 C       1.40634  1    121.36514  1    359.95965  1    59  58  57   -0.12890
 C       1.38557  1    121.53353  1    359.96151  1    60  59  58   -0.13050
 H       1.09829  1    121.34138  1    180.38529  1    61  60  59    0.13670
 H       1.09978  1    119.03364  1    180.14422  1    60  59  58    0.12050
 H       1.09931  1    119.70885  1    179.97302  1    59  58  57    0.11710
 H       1.09881  1    120.20266  1    180.15959  1    58  57  56    0.12030
 H       0.99266  1    124.66504  1    172.41233  1    55  54  53    0.27820
 H       1.09453  1    129.53351  1      2.45697  1    54  53  52    0.18180
 H       1.12677  1    107.95900  1    305.40957  1    52  48  47    0.08400
 H       1.12528  1    108.91191  1     61.40205  1    52  48  47    0.07800
 H       1.12872  1    107.86197  1    229.72719  1    48  47   3    0.12820
 H       1.00142  1     92.99432  1    343.41726  1    47   3   2    0.14490
 H       1.00196  1     77.54528  1    235.09352  1    47   3   2    0.13470

