


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.31900
 C       1.43303  0      0.00000  0      0.00000  0     1   0   0   -0.07140
 C       1.48960  0    114.37444  0      0.00000  0     2   1   0    0.28950
 O       1.22130  0    115.94220  0     35.04188  0     3   2   1   -0.41960
 N       1.33077  0    117.40408  0    215.46347  0     3   2   1   -0.36230
 C       1.45261  0    123.47676  0    179.50902  0     5   3   2   -0.02640
 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   -0.31720
 H       1.11318  1    115.13158  1    338.02497  1     7   6   5    0.08930
 C       1.54090  1    113.85547  1    179.16404  1     6   5   3   -0.07770
 C       1.46591  1    112.61844  1    285.15892  1    10   6   5   -0.20140
 C       1.39882  1    126.30109  1     88.19637  1    11  10   6   -0.04300
 N       1.39285  1    110.20352  1    178.43435  1    12  11  10   -0.20840
 C       1.39725  1    108.45363  1      1.35566  1    13  12  11   -0.01310
 C       1.44992  1    108.03342  1    358.49802  1    14  13  12   -0.06520
 C       1.39481  1    119.27638  1    181.16116  1    15  14  13   -0.09310
 C       1.38769  1    119.04105  1    359.79632  1    16  15  14   -0.16470
 C       1.40550  1    121.33433  1      0.03130  1    17  16  15   -0.13280
 C       1.38677  1    121.57980  1      0.10661  1    18  17  16   -0.14070
 H       1.09771  1    121.24387  1    180.07832  1    19  18  17    0.12770
 H       1.09964  1    119.04194  1    180.22045  1    18  17  16    0.11630
 H       1.09925  1    119.68238  1    180.19676  1    17  16  15    0.11720
 H       1.09947  1    119.98430  1    180.02696  1    16  15  14    0.13200
 H       0.99167  1    124.94900  1    171.02374  1    13  12  11    0.26900
 H       1.10264  1    128.81898  1    358.23223  1    12  11  10    0.23180
 H       1.12359  1    109.85948  1     48.03861  1    10   6   5    0.09670
 H       1.12499  1    107.02754  1    164.99967  1    10   6   5    0.09770
 H       1.13368  1    108.28638  1     58.46184  1     6   5   3    0.12710
 H       1.00358  1    121.87003  1    357.19487  1     5   3   2    0.28280
 C       1.54431  1    116.55546  1    163.60743  1     2   3   4   -0.21140
 C       1.52145  1    112.47409  1     71.43968  1    30   2   3    0.32260
 O       1.26999  1    118.18792  1    241.98920  1    31  30   2   -0.59340
 O       1.27103  1    120.65873  1     61.41775  1    31  30   2   -0.58370
 C       2.13484  0    120.29722  1    189.41271  1    33  31  30    0.03930
Cl       1.86952  1    163.33344  1    341.55187  1    34  33  31   -0.36430
 H       1.11370  1     71.48553  1     38.96233  1    34  33  31    0.15330
 H       1.11003  1     72.42901  1    272.69091  1    34  33  31    0.14800
 C       1.50057  1     88.98544  1    154.91153  1    34  33  31   -0.10860
 H       1.11607  1    111.64938  1    238.83170  1    38  34  33    0.09770
 H       1.12086  1    109.84874  1      1.52938  1    38  34  33    0.16020
Cl       1.76630  1    113.06088  1    119.55583  1    38  34  33   -0.16060
 H       1.12212  1    109.10283  1    189.78210  1    30   2   3    0.10750
 H       1.11885  1    110.57969  1    308.34905  1    30   2   3    0.07720
 H       1.14382  1    104.77307  1    279.16119  1     2   3   4    0.14080
 H       1.00249  1    110.65534  1     71.19657  1     1   2   3    0.12820
 H       1.00461  1    110.21384  1    311.48510  1     1   2   3    0.15210
 N      14.20335  0     59.28055  0    165.82135  0     3   2   1   -0.33040
 C       1.46213  0     44.41215  0     98.20624  0    47   3   2   -0.10350
 C       1.54890  0    109.51012  0    112.42708  0    48  47   3    0.20700
 O       1.23101  0    125.00583  0    126.76891  0    49  48  47   -0.27600
 H       1.11356  1    113.73171  1    305.31478  1    49  48  47    0.07610
 C       1.53845  1    113.43715  1    350.60069  1    48  47   3   -0.10360
 C       1.46467  1    114.87234  1    188.16739  1    52  48  47   -0.19830
 C       1.40073  1    124.44224  1    232.59117  1    53  52  48   -0.03650
 N       1.38961  1    110.41417  1    183.51172  1    54  53  52   -0.18970
 C       1.39695  1    108.31061  1      1.53013  1    55  54  53   -0.00520
 C       1.45033  1    108.18013  1    358.69824  1    56  55  54   -0.06040
 C       1.39616  1    118.96729  1    180.11447  1    57  56  55   -0.09450
 C       1.38667  1    119.20030  1      0.21273  1    58  57  56   -0.15960
 C       1.40626  1    121.37701  1    359.93041  1    59  58  57   -0.12770
 C       1.38562  1    121.51699  1    359.94201  1    60  59  58   -0.13120
 H       1.09831  1    121.33784  1    180.39775  1    61  60  59    0.13700
 H       1.09981  1    119.05195  1    180.12942  1    60  59  58    0.12130
 H       1.09936  1    119.69863  1    179.96733  1    59  58  57    0.11800
 H       1.09883  1    120.24503  1    180.31886  1    58  57  56    0.12110
 H       0.99044  1    124.98765  1    172.80341  1    55  54  53    0.27300
 H       1.09484  1    129.40895  1      2.64274  1    54  53  52    0.18370
 H       1.12711  1    108.06119  1    309.20112  1    52  48  47    0.08460
 H       1.12513  1    108.91926  1     65.19411  1    52  48  47    0.07960
 H       1.12873  1    107.86345  1    229.72244  1    48  47   3    0.12910
 H       1.00140  1     93.34936  1    343.77145  1    47   3   2    0.14560
 H       1.00190  1     77.33044  1    235.47684  1    47   3   2    0.13510

