


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.31890
 C       1.43303  0      0.00000  0      0.00000  0     1   0   0   -0.07150
 C       1.48960  0    114.37444  0      0.00000  0     2   1   0    0.28970
 O       1.22130  0    115.94220  0     35.04188  0     3   2   1   -0.42040
 N       1.33077  0    117.40408  0    215.46347  0     3   2   1   -0.36240
 C       1.45261  0    123.47676  0    179.50902  0     5   3   2   -0.02620
 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   -0.31760
 H       1.11318  1    115.13191  1    338.02740  1     7   6   5    0.08940
 C       1.54070  1    113.88547  1    179.19981  1     6   5   3   -0.07780
 C       1.46582  1    112.64210  1    284.98074  1    10   6   5   -0.20050
 C       1.39861  1    126.33922  1     88.09855  1    11  10   6   -0.04280
 N       1.39309  1    110.18627  1    178.04396  1    12  11  10   -0.20910
 C       1.39734  1    108.46048  1      1.39163  1    13  12  11   -0.01320
 C       1.44994  1    108.03362  1    358.53048  1    14  13  12   -0.06500
 C       1.39484  1    119.27542  1    181.16262  1    15  14  13   -0.09290
 C       1.38768  1    119.04030  1    359.79838  1    16  15  14   -0.16470
 C       1.40543  1    121.33353  1      0.03233  1    17  16  15   -0.13260
 C       1.38680  1    121.57861  1      0.10675  1    18  17  16   -0.14120
 H       1.09768  1    121.24324  1    180.08273  1    19  18  17    0.12730
 H       1.09964  1    119.04507  1    180.22414  1    18  17  16    0.11630
 H       1.09926  1    119.68166  1    180.20212  1    17  16  15    0.11730
 H       1.09949  1    119.98443  1    180.03386  1    16  15  14    0.13230
 H       0.99103  1    124.99314  1    171.09470  1    13  12  11    0.26720
 H       1.10293  1    128.80219  1    357.72660  1    12  11  10    0.23280
 H       1.12355  1    109.82887  1     47.96826  1    10   6   5    0.09700
 H       1.12512  1    107.00018  1    164.93068  1    10   6   5    0.09750
 H       1.13368  1    108.28561  1     58.44273  1     6   5   3    0.12680
 H       1.00378  1    121.86079  1    357.19037  1     5   3   2    0.28350
 C       1.54429  1    116.52892  1    163.66510  1     2   3   4   -0.21260
 C       1.52225  1    112.43745  1     71.44407  1    30   2   3    0.32270
 O       1.27053  1    118.16393  1    242.07166  1    31  30   2   -0.59760
 O       1.26973  1    120.62059  1     61.41721  1    31  30   2   -0.58550
 C       2.18484  0    120.17203  1    189.42618  1    33  31  30    0.01600
Cl       1.85023  1    162.84875  1    341.57243  1    34  33  31   -0.33510
 H       1.11518  1     69.74088  1     39.08291  1    34  33  31    0.15590
 H       1.11141  1     70.98793  1    272.23979  1    34  33  31    0.14940
 C       1.50064  1     88.60227  1    154.81613  1    34  33  31   -0.10830
 H       1.11593  1    111.72079  1    238.97794  1    38  34  33    0.09690
 H       1.12095  1    109.62634  1      1.66155  1    38  34  33    0.16220
Cl       1.76663  1    113.04080  1    119.69545  1    38  34  33   -0.16230
 H       1.12202  1    109.09998  1    189.72574  1    30   2   3    0.10670
 H       1.11874  1    110.58330  1    308.29718  1    30   2   3    0.07630
 H       1.14385  1    104.77232  1    279.15616  1     2   3   4    0.14100
 H       1.00249  1    110.65019  1     71.19642  1     1   2   3    0.12790
 H       1.00461  1    110.21115  1    311.49973  1     1   2   3    0.15170
 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    0.20690
 O       1.23101  0    125.00583  0    126.76891  0    49  48  47   -0.27600
 H       1.11356  1    113.73203  1    305.32661  1    49  48  47    0.07610
 C       1.53837  1    113.46856  1    350.53199  1    48  47   3   -0.10380
 C       1.46473  1    114.83212  1    188.27701  1    52  48  47   -0.19680
 C       1.40054  1    124.48838  1    232.52539  1    53  52  48   -0.03750
 N       1.38983  1    110.40540  1    183.49929  1    54  53  52   -0.19040
 C       1.39695  1    108.31760  1      1.52490  1    55  54  53   -0.00480
 C       1.45023  1    108.17715  1    358.70365  1    56  55  54   -0.06070
 C       1.39604  1    118.96694  1    180.11161  1    57  56  55   -0.09430
 C       1.38667  1    119.20036  1      0.21672  1    58  57  56   -0.15950
 C       1.40625  1    121.37709  1    359.92392  1    59  58  57   -0.12720
 C       1.38563  1    121.51688  1    359.93936  1    60  59  58   -0.13130
 H       1.09831  1    121.33656  1    180.40715  1    61  60  59    0.13720
 H       1.09982  1    119.05375  1    180.13152  1    60  59  58    0.12160
 H       1.09937  1    119.69817  1    179.96719  1    59  58  57    0.11820
 H       1.09884  1    120.25109  1    180.33389  1    58  57  56    0.12130
 H       0.99000  1    125.04236  1    172.66973  1    55  54  53    0.27190
 H       1.09475  1    129.38221  1      2.62583  1    54  53  52    0.18330
 H       1.12709  1    108.07603  1    309.30053  1    52  48  47    0.08490
 H       1.12510  1    108.93404  1     65.31719  1    52  48  47    0.07980
 H       1.12880  1    107.83734  1    229.65870  1    48  47   3    0.12910
 H       1.00140  1     93.38088  1    343.79495  1    47   3   2    0.14570
 H       1.00189  1     77.32023  1    235.51346  1    47   3   2    0.13510

