
 -170.722363 

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 C       1.43303  0      0.00000  0      0.00000  0     1   0   0   -0.07460
 C       1.48960  0    114.37444  0      0.00000  0     2   1   0    0.28960
 O       1.22130  0    115.94220  0     35.04188  0     3   2   1   -0.42210
 N       1.33077  0    117.40408  0    215.46347  0     3   2   1   -0.36360
 C       1.45261  0    123.47676  0    179.50902  0     5   3   2   -0.02530
 C       1.53773  0    111.93592  0    301.16164  0     6   5   3    0.18030
 O       1.25976  0    125.77695  0    157.62358  0     7   6   5   -0.31860
 H       1.11319  1    115.13673  1    338.01639  1     7   6   5    0.08920
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 C       1.46587  1    112.77201  1    281.40941  1    10   6   5   -0.20010
 C       1.39850  1    126.46170  1     81.15997  1    11  10   6   -0.03710
 N       1.39258  1    110.06758  1    178.30214  1    12  11  10   -0.21020
 C       1.39660  1    108.64296  1    359.83475  1    13  12  11   -0.01340
 C       1.45003  1    107.92795  1      0.21979  1    14  13  12   -0.06320
 C       1.39482  1    119.22975  1    179.90262  1    15  14  13   -0.09180
 C       1.38779  1    119.05649  1      0.09164  1    16  15  14   -0.16510
 C       1.40538  1    121.34402  1    359.96196  1    17  16  15   -0.13220
 C       1.38684  1    121.56630  1      0.00000  1    18  17  16   -0.14320
 H       1.09758  1    121.21225  1    180.16427  1    19  18  17    0.12550
 H       1.09962  1    119.05261  1    180.08275  1    18  17  16    0.11610
 H       1.09926  1    119.67615  1    180.11843  1    17  16  15    0.11730
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 H       1.13359  1    108.41354  1     58.49699  1     6   5   3    0.12690
 H       1.00538  1    121.35904  1    354.50612  1     5   3   2    0.28490
 C       1.54291  1    116.27902  1    164.66311  1     2   3   4   -0.21540
 C       1.52621  1    110.97683  1     75.83183  1    30   2   3    0.32210
 O       1.27496  1    118.19922  1    243.52009  1    31  30   2   -0.62460
 O       1.26234  1    119.87482  1     63.38304  1    31  30   2   -0.56690
 C       3.13484  0    101.52206  1    175.00622  1    33  31  30   -0.13210
Cl       1.77032  1    152.45529  1     37.77303  1    34  33  31   -0.18370
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 H       1.11525  1     96.49788  1    253.73066  1    34  33  31    0.09990
 C       1.49963  1     72.15390  1    142.87222  1    34  33  31   -0.11620
 H       1.11552  1    112.04306  1    260.38205  1    38  34  33    0.10880
 H       1.12522  1    108.45782  1     21.85905  1    38  34  33    0.18350
Cl       1.76770  1    112.74031  1    140.77940  1    38  34  33   -0.17580
 H       1.12160  1    109.37853  1    193.45691  1    30   2   3    0.10370
 H       1.11758  1    111.16222  1    312.31992  1    30   2   3    0.07210
 H       1.14551  1    104.69786  1    279.69322  1     2   3   4    0.14720
 H       1.00253  1    110.64440  1     71.05774  1     1   2   3    0.12500
 H       1.00465  1    110.14782  1    311.46136  1     1   2   3    0.15060
 N      14.20335  0     59.28055  0    165.82135  0     3   2   1   -0.32760
 C       1.46213  0     44.41215  0     98.20624  0    47   3   2   -0.10680
 C       1.54890  0    109.51012  0    112.42708  0    48  47   3    0.20330
 O       1.23101  0    125.00583  0    126.76891  0    49  48  47   -0.27690
 H       1.11380  1    113.77706  1    305.37170  1    49  48  47    0.07780
 C       1.53978  1    115.06031  1    350.24164  1    48  47   3   -0.10800
 C       1.46675  1    112.91960  1    207.70757  1    52  48  47   -0.17840
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 N       1.39330  1    110.20763  1    181.69113  1    54  53  52   -0.20270
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 C       1.44885  1    108.07263  1    358.89178  1    56  55  54   -0.06670
 C       1.39580  1    119.06674  1    180.10381  1    57  56  55   -0.09380
 C       1.38692  1    119.15341  1      0.19862  1    58  57  56   -0.15890
 C       1.40616  1    121.33920  1    359.94821  1    59  58  57   -0.12360
 C       1.38605  1    121.54699  1    359.93162  1    60  59  58   -0.13530
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 H       0.98660  1    125.60590  1    174.33128  1    55  54  53    0.26060
 H       1.09571  1    129.31087  1      1.13698  1    54  53  52    0.18660
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 H       1.00157  1     93.61815  1    344.15170  1    47   3   2    0.14650
 H       1.00185  1     77.18614  1    235.93075  1    47   3   2    0.13510

