


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.31840
 C       1.43303  0      0.00000  0      0.00000  0     1   0   0   -0.07380
 C       1.48960  0    114.37444  0      0.00000  0     2   1   0    0.28630
 O       1.22130  0    115.94220  0     35.04188  0     3   2   1   -0.39860
 N       1.33077  0    117.40408  0    215.46347  0     3   2   1   -0.35880
 C       1.45261  0    123.47676  0    179.50902  0     5   3   2   -0.03170
 C       1.53773  0    111.93592  0    301.16164  0     6   5   3    0.17790
 O       1.25976  0    125.77695  0    157.62358  0     7   6   5   -0.30670
 H       1.11313  1    115.14523  1    337.54346  1     7   6   5    0.08520
 C       1.54268  1    113.68346  1    179.84222  1     6   5   3   -0.07230
 C       1.46299  1    112.61321  1    285.46080  1    10   6   5   -0.22900
 C       1.40405  1    126.76031  1     93.28163  1    11  10   6   -0.06110
 N       1.38523  1    110.70973  1    178.23556  1    12  11  10   -0.20040
 C       1.39448  1    108.02320  1      1.12279  1    13  12  11   -0.01530
 C       1.45128  1    108.50057  1    358.71768  1    14  13  12   -0.07540
 C       1.39659  1    119.41478  1    181.13814  1    15  14  13   -0.10050
 C       1.38559  1    119.01312  1    359.71586  1    16  15  14   -0.16660
 C       1.40783  1    121.30746  1      0.00000  1    17  16  15   -0.14160
 C       1.38449  1    121.65342  1      0.15185  1    18  17  16   -0.12570
 H       1.09847  1    121.55769  1    180.07980  1    19  18  17    0.13780
 H       1.09959  1    118.88880  1    180.20875  1    18  17  16    0.11390
 H       1.09907  1    119.78453  1    180.10747  1    17  16  15    0.11300
 H       1.09912  1    119.97545  1    179.80729  1    16  15  14    0.12480
 H       1.03594  1    124.55195  1    169.12268  1    13  12  11    0.32480
 H       1.09695  1    128.59497  1    358.78810  1    12  11  10    0.19210
 H       1.12313  1    109.85607  1     48.86916  1    10   6   5    0.08630
 H       1.12556  1    106.72480  1    165.56944  1    10   6   5    0.10230
 H       1.13326  1    108.39366  1     59.15865  1     6   5   3    0.13520
 H       0.99847  1    122.15431  1    355.81070  1     5   3   2    0.26160
 C       1.54397  1    116.54725  1    163.54929  1     2   3   4   -0.18120
 C       1.50580  1    112.18663  1     73.57882  1    30   2   3    0.30080
 O       1.24946  1    122.63981  1    236.19257  1    31  30   2   -0.45950
 O       1.31349  1    117.57964  1     55.54701  1    31  30   2   -0.42390
 C       1.88484  0    109.93283  1    185.94165  1    33  31  30    0.16670
Cl       2.79751  1    163.59015  1     35.09469  1    34  33  31   -0.82510
 H       1.10513  1     96.54979  1     48.48713  1    34  33  31    0.16260
 H       1.10049  1     97.59015  1    289.81511  1    34  33  31    0.15520
 C       1.47817  1     98.59731  1    167.39364  1    34  33  31   -0.15120
 H       1.12504  1    108.45282  1    201.65387  1    38  34  33    0.17160
 H       1.11932  1    110.66392  1    322.99726  1    38  34  33    0.13230
Cl       1.75531  1    113.74796  1     82.87655  1    38  34  33   -0.11610
 H       1.12448  1    109.27845  1    191.86625  1    30   2   3    0.13030
 H       1.11976  1    111.16535  1    310.77398  1    30   2   3    0.10060
 H       1.14463  1    104.78686  1    279.50165  1     2   3   4    0.14480
 H       1.00246  1    110.81878  1     66.72071  1     1   2   3    0.13460
 H       1.00456  1    110.02999  1    306.90905  1     1   2   3    0.16270
 N      14.20335  0     59.28055  0    165.82135  0     3   2   1   -0.33060
 C       1.46213  0     44.41215  0     98.20624  0    47   3   2   -0.10560
 C       1.54890  0    109.51012  0    112.42708  0    48  47   3    0.21200
 O       1.23101  0    125.00583  0    126.76891  0    49  48  47   -0.27610
 H       1.11330  1    113.71370  1    305.20732  1    49  48  47    0.07490
 C       1.53905  1    113.53965  1    350.29421  1    48  47   3   -0.09500
 C       1.46293  1    114.39282  1    168.86730  1    52  48  47   -0.22800
 C       1.40455  1    124.97987  1    245.48532  1    53  52  48   -0.04720
 N       1.38329  1    110.85540  1    183.29240  1    54  53  52   -0.19080
 C       1.39378  1    108.00816  1      1.35940  1    55  54  53   -0.01280
 C       1.45320  1    108.45297  1    358.74844  1    56  55  54   -0.06440
 C       1.39650  1    119.28286  1    180.59049  1    57  56  55   -0.09680
 C       1.38543  1    119.11530  1    359.77647  1    58  57  56   -0.16490
 C       1.40763  1    121.30047  1      0.13739  1    59  58  57   -0.13790
 C       1.38428  1    121.65226  1      0.03654  1    60  59  58   -0.12580
 H       1.09836  1    121.45616  1    179.99743  1    61  60  59    0.13600
 H       1.09964  1    118.90127  1    180.05356  1    60  59  58    0.11510
 H       1.09902  1    119.80420  1    180.00627  1    59  58  57    0.11170
 H       1.09873  1    119.91981  1    179.49224  1    58  57  56    0.11570
 H       1.03192  1    123.24695  1    171.56018  1    55  54  53    0.32320
 H       1.09281  1    128.94495  1      3.19312  1    54  53  52    0.16530
 H       1.12531  1    107.73562  1    290.60105  1    52  48  47    0.08090
 H       1.12572  1    109.14635  1     46.72144  1    52  48  47    0.07120
 H       1.12862  1    107.87799  1    229.67610  1    48  47   3    0.12460
 H       1.00151  1     91.26055  1    341.61240  1    47   3   2    0.14130
 H       1.00222  1     78.64777  1    233.07508  1    47   3   2    0.13310

