


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.31870
 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    0.28600
 O       1.22130  0    115.94220  0     35.04188  0     3   2   1   -0.39520
 N       1.33077  0    117.40408  0    215.46347  0     3   2   1   -0.35830
 C       1.45261  0    123.47676  0    179.50902  0     5   3   2   -0.03260
 C       1.53773  0    111.93592  0    301.16164  0     6   5   3    0.17770
 O       1.25976  0    125.77695  0    157.62358  0     7   6   5   -0.30510
 H       1.11313  1    115.15056  1    337.54242  1     7   6   5    0.08460
 C       1.54272  1    113.65085  1    179.66150  1     6   5   3   -0.07130
 C       1.46282  1    112.37652  1    285.63718  1    10   6   5   -0.23190
 C       1.40464  1    126.88956  1     93.82130  1    11  10   6   -0.06320
 N       1.38420  1    110.77018  1    178.77233  1    12  11  10   -0.19890
 C       1.39379  1    107.97830  1      0.89340  1    13  12  11   -0.01550
 C       1.45120  1    108.56644  1    358.92129  1    14  13  12   -0.07660
 C       1.39668  1    119.43386  1    180.98594  1    15  14  13   -0.10140
 C       1.38525  1    119.01074  1    359.72957  1    16  15  14   -0.16650
 C       1.40826  1    121.31206  1      0.00000  1    17  16  15   -0.14240
 C       1.38407  1    121.64314  1      0.14878  1    18  17  16   -0.12370
 H       1.09864  1    121.59966  1    180.11782  1    19  18  17    0.13960
 H       1.09956  1    118.87974  1    180.20845  1    18  17  16    0.11390
 H       1.09905  1    119.79215  1    180.10920  1    17  16  15    0.11260
 H       1.09908  1    119.96540  1    179.82155  1    16  15  14    0.12400
 H       1.04044  1    124.95466  1    169.82183  1    13  12  11    0.32810
 H       1.09648  1    128.52294  1    359.37190  1    12  11  10    0.18710
 H       1.12291  1    109.92092  1     49.04411  1    10   6   5    0.08520
 H       1.12550  1    106.72011  1    165.80407  1    10   6   5    0.10310
 H       1.13347  1    108.36434  1     59.10035  1     6   5   3    0.13650
 H       0.99767  1    122.24404  1    355.84052  1     5   3   2    0.25860
 C       1.54549  1    116.62296  1    163.19619  1     2   3   4   -0.17690
 C       1.50365  1    112.30378  1     73.17870  1    30   2   3    0.29700
 O       1.24576  1    123.24799  1    235.65239  1    31  30   2   -0.43270
 O       1.32375  1    116.83795  1     55.58196  1    31  30   2   -0.37480
 C       1.78484  0    111.16290  1    185.54374  1    33  31  30    0.10820
Cl       3.00865  1    162.30639  1     36.63983  1    34  33  31   -0.82670
 H       1.10829  1    100.96712  1     40.00685  1    34  33  31    0.16170
 H       1.10289  1     99.24341  1    281.20957  1    34  33  31    0.14460
 C       1.48219  1    101.37655  1    159.22058  1    34  33  31   -0.14500
 H       1.12632  1    107.84509  1    196.23302  1    38  34  33    0.17530
 H       1.11754  1    111.15725  1    317.67738  1    38  34  33    0.12430
Cl       1.75698  1    113.68818  1     77.82666  1    38  34  33   -0.12530
 H       1.12475  1    109.27707  1    191.58906  1    30   2   3    0.13420
 H       1.11999  1    111.13352  1    310.58176  1    30   2   3    0.10460
 H       1.14433  1    104.86273  1    279.36551  1     2   3   4    0.14540
 H       1.00246  1    110.84150  1     65.68503  1     1   2   3    0.13580
 H       1.00454  1    110.02636  1    305.84889  1     1   2   3    0.16440
 N      14.20335  0     59.28055  0    165.82135  0     3   2   1   -0.33080
 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    0.21230
 O       1.23101  0    125.00583  0    126.76891  0    49  48  47   -0.27640
 H       1.11328  1    113.71136  1    305.19978  1    49  48  47    0.07520
 C       1.53964  1    113.41976  1    350.36346  1    48  47   3   -0.09440
 C       1.46231  1    114.53623  1    168.44001  1    52  48  47   -0.23040
 C       1.40544  1    124.86805  1    245.52264  1    53  52  48   -0.04750
 N       1.38237  1    110.90602  1    183.48328  1    54  53  52   -0.19050
 C       1.39358  1    107.97856  1      1.14615  1    55  54  53   -0.01440
 C       1.45327  1    108.48869  1    358.97694  1    56  55  54   -0.06450
 C       1.39653  1    119.29901  1    180.44957  1    57  56  55   -0.09720
 C       1.38534  1    119.13063  1    359.74656  1    58  57  56   -0.16530
 C       1.40777  1    121.29336  1      0.15948  1    59  58  57   -0.13920
 C       1.38430  1    121.62585  1      0.05000  1    60  59  58   -0.12560
 H       1.09892  1    121.42743  1    179.88644  1    61  60  59    0.13580
 H       1.09957  1    118.91601  1    180.01631  1    60  59  58    0.11460
 H       1.09900  1    119.81379  1    180.00410  1    59  58  57    0.11130
 H       1.09874  1    119.90560  1    179.44124  1    58  57  56    0.11550
 H       1.03490  1    123.38543  1    172.83200  1    55  54  53    0.32590
 H       1.09292  1    128.94391  1      3.34728  1    54  53  52    0.16570
 H       1.12541  1    107.67148  1    290.22028  1    52  48  47    0.08010
 H       1.12580  1    109.10666  1     46.25713  1    52  48  47    0.07110
 H       1.12845  1    107.91392  1    229.73143  1    48  47   3    0.12430
 H       1.00152  1     91.14656  1    341.49094  1    47   3   2    0.14110
 H       1.00223  1     78.72512  1    232.94247  1    47   3   2    0.13320

