


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.31910
 C       1.43303  0      0.00000  0      0.00000  0     1   0   0   -0.07290
 C       1.48960  0    114.37444  0      0.00000  0     2   1   0    0.28570
 O       1.22130  0    115.94220  0     35.04188  0     3   2   1   -0.39060
 N       1.33077  0    117.40408  0    215.46347  0     3   2   1   -0.35680
 C       1.45261  0    123.47676  0    179.50902  0     5   3   2   -0.03430
 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   -0.30300
 H       1.11314  1    115.15976  1    337.63130  1     7   6   5    0.08370
 C       1.54257  1    113.41455  1    179.08610  1     6   5   3   -0.06980
 C       1.46273  1    111.87043  1    285.39521  1    10   6   5   -0.23620
 C       1.40557  1    127.11091  1     89.83321  1    11  10   6   -0.06420
 N       1.38278  1    110.76999  1    179.95210  1    12  11  10   -0.19490
 C       1.39373  1    107.98009  1      0.69865  1    13  12  11   -0.01500
 C       1.45093  1    108.59914  1    359.08328  1    14  13  12   -0.07660
 C       1.39717  1    119.42060  1    180.91668  1    15  14  13   -0.10260
 C       1.38499  1    119.00704  1    359.74738  1    16  15  14   -0.16610
 C       1.40852  1    121.32323  1      0.00000  1    17  16  15   -0.14370
 C       1.38389  1    121.64355  1      0.16104  1    18  17  16   -0.12070
 H       1.09878  1    121.66224  1    180.16706  1    19  18  17    0.14160
 H       1.09954  1    118.86949  1    180.23052  1    18  17  16    0.11370
 H       1.09905  1    119.79595  1    180.09844  1    17  16  15    0.11190
 H       1.09900  1    119.98981  1    179.84922  1    16  15  14    0.12250
 H       1.04424  1    125.40696  1    170.90569  1    13  12  11    0.33070
 H       1.09575  1    128.60037  1      0.74219  1    12  11  10    0.17940
 H       1.12277  1    110.02881  1     48.77235  1    10   6   5    0.08360
 H       1.12522  1    106.81022  1    165.61074  1    10   6   5    0.10400
 H       1.13400  1    108.30442  1     58.83989  1     6   5   3    0.13860
 H       0.99675  1    122.17814  1    354.53679  1     5   3   2    0.25300
 C       1.54674  1    116.26897  1    162.12873  1     2   3   4   -0.17040
 C       1.50124  1    113.12023  1     74.08128  1    30   2   3    0.29350
 O       1.23982  1    124.53752  1    231.61100  1    31  30   2   -0.39290
 O       1.34309  1    115.64161  1     52.32839  1    31  30   2   -0.30510
 C       1.58484  0    114.32833  1    176.66586  1    33  31  30    0.01410
Cl       3.33089  1    149.74911  1     67.53952  1    34  33  31   -0.81630
 H       1.11795  1    106.58316  1     41.23831  1    34  33  31    0.15570
 H       1.11062  1    103.88214  1    281.86247  1    34  33  31    0.12380
 C       1.49637  1    104.78919  1    160.07053  1    34  33  31   -0.13210
 H       1.12597  1    108.16259  1    198.35424  1    38  34  33    0.17620
 H       1.11625  1    111.20242  1    319.82879  1    38  34  33    0.11720
Cl       1.76000  1    113.22875  1     79.51942  1    38  34  33   -0.14410
 H       1.12569  1    109.22534  1    192.42426  1    30   2   3    0.13900
 H       1.12043  1    111.11268  1    311.35579  1    30   2   3    0.10980
 H       1.14329  1    105.19029  1    278.78057  1     2   3   4    0.14820
 H       1.00250  1    110.85178  1     63.11177  1     1   2   3    0.13750
 H       1.00444  1    110.01234  1    303.29138  1     1   2   3    0.16610
 N      14.20335  0     59.28055  0    165.82135  0     3   2   1   -0.33100
 C       1.46213  0     44.41215  0     98.20624  0    47   3   2   -0.10530
 C       1.54890  0    109.51012  0    112.42708  0    48  47   3    0.21320
 O       1.23101  0    125.00583  0    126.76891  0    49  48  47   -0.27740
 H       1.11323  1    113.71404  1    305.22564  1    49  48  47    0.07610
 C       1.53979  1    113.30141  1    350.10957  1    48  47   3   -0.09430
 C       1.46259  1    114.90361  1    165.10740  1    52  48  47   -0.23180
 C       1.40585  1    124.80810  1    245.66117  1    53  52  48   -0.04890
 N       1.38242  1    110.92442  1    184.05289  1    54  53  52   -0.19060
 C       1.39350  1    107.94696  1      1.19385  1    55  54  53   -0.01520
 C       1.45336  1    108.51966  1    358.91754  1    56  55  54   -0.06490
 C       1.39653  1    119.30610  1    180.47888  1    57  56  55   -0.09660
 C       1.38528  1    119.13059  1    359.74110  1    58  57  56   -0.16580
 C       1.40785  1    121.29145  1      0.17592  1    59  58  57   -0.13980
 C       1.38429  1    121.62948  1      0.04402  1    60  59  58   -0.12580
 H       1.09841  1    121.42396  1    179.85888  1    61  60  59    0.13570
 H       1.09956  1    118.90900  1    179.97705  1    60  59  58    0.11430
 H       1.09899  1    119.81751  1    179.98418  1    59  58  57    0.11110
 H       1.09876  1    119.89350  1    179.38271  1    58  57  56    0.11570
 H       1.03728  1    123.30457  1    171.94110  1    55  54  53    0.32680
 H       1.09293  1    128.88086  1      3.88311  1    54  53  52    0.16570
 H       1.12540  1    107.56819  1    287.00625  1    52  48  47    0.08030
 H       1.12608  1    109.13790  1     42.93046  1    52  48  47    0.07100
 H       1.12847  1    107.85097  1    229.60680  1    48  47   3    0.12290
 H       1.00153  1     90.76263  1    341.06889  1    47   3   2    0.14090
 H       1.00226  1     79.01900  1    232.46853  1    47   3   2    0.13350

