


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.31860
 C       1.43303  0      0.00000  0      0.00000  0     1   0   0   -0.07310
 C       1.48960  0    114.37444  0      0.00000  0     2   1   0    0.28920
 O       1.22130  0    115.94220  0     35.04188  0     3   2   1   -0.41350
 N       1.33077  0    117.40408  0    215.46347  0     3   2   1   -0.36090
 C       1.45261  0    123.47676  0    179.50902  0     5   3   2   -0.02790
 C       1.53773  0    111.93592  0    301.16164  0     6   5   3    0.17890
 O       1.25976  0    125.77695  0    157.62358  0     7   6   5   -0.31400
 H       1.11315  1    115.13242  1    337.87404  1     7   6   5    0.08840
 C       1.54163  1    113.84729  1    179.42170  1     6   5   3   -0.07650
 C       1.46499  1    112.62944  1    286.12320  1    10   6   5   -0.20900
 C       1.39956  1    126.31931  1     90.85499  1    11  10   6   -0.04760
 N       1.39184  1    110.46304  1    178.38998  1    12  11  10   -0.20560
 C       1.39699  1    108.16179  1      1.73020  1    13  12  11   -0.01320
 C       1.45047  1    108.25988  1    358.08141  1    14  13  12   -0.06820
 C       1.39503  1    119.36853  1    181.54824  1    15  14  13   -0.09530
 C       1.38727  1    119.02200  1    359.69923  1    16  15  14   -0.16520
 C       1.40596  1    121.31161  1      0.04824  1    17  16  15   -0.13490
 C       1.38629  1    121.60060  1      0.14824  1    18  17  16   -0.13650
 H       1.09791  1    121.30660  1    180.08413  1    19  18  17    0.13040
 H       1.09964  1    119.00164  1    180.25878  1    18  17  16    0.11560
 H       1.09918  1    119.71309  1    180.19416  1    17  16  15    0.11610
 H       1.09936  1    119.98871  1    179.87017  1    16  15  14    0.12990
 H       1.00381  1    124.06837  1    166.77226  1    13  12  11    0.28790
 H       1.10047  1    128.84037  1    358.53095  1    12  11  10    0.21940
 H       1.12332  1    109.84175  1     49.18520  1    10   6   5    0.09320
 H       1.12519  1    106.87091  1    166.03770  1    10   6   5    0.09930
 H       1.13352  1    108.31923  1     58.70449  1     6   5   3    0.12930
 H       1.00169  1    121.95686  1    356.59170  1     5   3   2    0.27580
 C       1.54386  1    116.58573  1    163.69845  1     2   3   4   -0.20110
 C       1.51607  1    112.07023  1     71.86597  1    30   2   3    0.31860
 O       1.26331  1    119.47497  1    238.77761  1    31  30   2   -0.55540
 O       1.28309  1    119.70916  1     57.82810  1    31  30   2   -0.55840
 C       1.98484  0    115.39876  1    188.50558  1    33  31  30    0.15620
Cl       2.04435  1    166.67919  1    355.43063  1    34  33  31   -0.55550
 H       1.10753  1     80.64449  1     50.48746  1    34  33  31    0.14310
 H       1.10482  1     81.26238  1    287.90447  1    34  33  31    0.15240
 C       1.49615  1     91.06364  1    167.72419  1    34  33  31   -0.11780
 H       1.11725  1    111.32725  1    229.75489  1    38  34  33    0.10940
 H       1.12187  1    110.25037  1    351.89534  1    38  34  33    0.15080
Cl       1.76124  1    113.15811  1    110.17673  1    38  34  33   -0.14020
 H       1.12254  1    109.23268  1    190.13002  1    30   2   3    0.11430
 H       1.11899  1    110.82012  1    308.91204  1    30   2   3    0.08350
 H       1.14438  1    104.74483  1    279.26698  1     2   3   4    0.14360
 H       1.00248  1    110.70259  1     69.87992  1     1   2   3    0.12980
 H       1.00458  1    110.15254  1    310.14741  1     1   2   3    0.15490
 N      14.20335  0     59.28055  0    165.82135  0     3   2   1   -0.33070
 C       1.46213  0     44.41215  0     98.20624  0    47   3   2   -0.10370
 C       1.54890  0    109.51012  0    112.42708  0    48  47   3    0.20930
 O       1.23101  0    125.00583  0    126.76891  0    49  48  47   -0.27590
 H       1.11342  1    113.71914  1    305.26734  1    49  48  47    0.07550
 C       1.53819  1    113.33664  1    350.45590  1    48  47   3   -0.10020
 C       1.46389  1    114.83756  1    178.20289  1    52  48  47   -0.21080
 C       1.40185  1    124.50667  1    235.90543  1    53  52  48   -0.03630
 N       1.38771  1    110.54852  1    183.57617  1    54  53  52   -0.18720
 C       1.39603  1    108.22384  1      1.73460  1    55  54  53   -0.00660
 C       1.45110  1    108.24680  1    358.41693  1    56  55  54   -0.06070
 C       1.39607  1    119.10226  1    180.58629  1    57  56  55   -0.09460
 C       1.38625  1    119.15967  1    359.90638  1    58  57  56   -0.16110
 C       1.40656  1    121.34335  1      0.03175  1    59  58  57   -0.13060
 C       1.38531  1    121.57458  1      0.06398  1    60  59  58   -0.12910
 H       1.09832  1    121.35868  1    180.24758  1    61  60  59    0.13690
 H       1.09976  1    119.00644  1    180.19059  1    60  59  58    0.11930
 H       1.09924  1    119.73678  1    180.01980  1    59  58  57    0.11580
 H       1.09880  1    120.10618  1    179.80763  1    58  57  56    0.11920
 H       1.00090  1    123.86710  1    171.30636  1    55  54  53    0.28980
 H       1.09380  1    129.43105  1      2.78931  1    54  53  52    0.17630
 H       1.12644  1    107.81296  1    299.60418  1    52  48  47    0.08330
 H       1.12555  1    108.98993  1     55.59853  1    52  48  47    0.07570
 H       1.12868  1    107.92170  1    229.73928  1    48  47   3    0.12680
 H       1.00142  1     92.54196  1    342.93649  1    47   3   2    0.14400
 H       1.00202  1     77.84760  1    234.53479  1    47   3   2    0.13440

