
 -170.953150 

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 C       1.43303  0      0.00000  0      0.00000  0     1   0   0   -0.07330
 C       1.48960  0    114.37444  0      0.00000  0     2   1   0    0.29030
 O       1.22130  0    115.94220  0     35.04188  0     3   2   1   -0.42220
 N       1.33077  0    117.40408  0    215.46347  0     3   2   1   -0.36320
 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    0.17960
 O       1.25976  0    125.77695  0    157.62358  0     7   6   5   -0.31870
 H       1.11321  1    115.13845  1    337.99189  1     7   6   5    0.08930
 C       1.54087  1    113.91427  1    179.54568  1     6   5   3   -0.07830
 C       1.46579  1    112.83099  1    282.79002  1    10   6   5   -0.19920
 C       1.39840  1    126.31590  1     83.45221  1    11  10   6   -0.03830
 N       1.39261  1    110.07989  1    178.35276  1    12  11  10   -0.21160
 C       1.39685  1    108.62657  1      0.08759  1    13  12  11   -0.01360
 C       1.45012  1    107.92843  1    359.92487  1    14  13  12   -0.06320
 C       1.39479  1    119.23267  1    180.13957  1    15  14  13   -0.09190
 C       1.38781  1    119.05364  1      0.02998  1    16  15  14   -0.16490
 C       1.40540  1    121.34281  1      0.00000  1    17  16  15   -0.13210
 C       1.38686  1    121.57206  1      0.00000  1    18  17  16   -0.14310
 H       1.09758  1    121.20834  1    180.13682  1    19  18  17    0.12580
 H       1.09963  1    119.03957  1    180.11050  1    18  17  16    0.11620
 H       1.09926  1    119.67689  1    180.15455  1    17  16  15    0.11740
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 H       1.10370  1    128.89984  1    357.42451  1    12  11  10    0.23560
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 H       1.12526  1    107.10357  1    162.75843  1    10   6   5    0.09660
 H       1.13342  1    108.36879  1     58.56167  1     6   5   3    0.12690
 H       1.00468  1    121.70395  1    356.34107  1     5   3   2    0.28530
 C       1.54362  1    116.47916  1    164.14842  1     2   3   4   -0.21330
 C       1.52327  1    111.80938  1     72.69490  1    30   2   3    0.32040
 O       1.27507  1    118.05932  1    242.71526  1    31  30   2   -0.61880
 O       1.26407  1    120.61931  1     62.44681  1    31  30   2   -0.57390
 C       2.78484  0    110.34560  1    177.57895  1    33  31  30   -0.11910
Cl       1.78100  1    154.98398  1     15.55303  1    34  33  31   -0.20960
 H       1.12969  1     48.30636  1      8.14062  1    34  33  31    0.21030
 H       1.11482  1     88.16092  1    249.67644  1    34  33  31    0.11590
 C       1.49856  1     79.87684  1    136.98858  1    34  33  31   -0.10960
 H       1.11553  1    112.11915  1    257.15546  1    38  34  33    0.10520
 H       1.12337  1    108.35949  1     19.04850  1    38  34  33    0.17550
Cl       1.76842  1    112.85191  1    137.52369  1    38  34  33   -0.17520
 H       1.12183  1    109.17037  1    190.70762  1    30   2   3    0.10460
 H       1.11826  1    110.78059  1    309.40155  1    30   2   3    0.07380
 H       1.14465  1    104.70070  1    279.40497  1     2   3   4    0.14450
 H       1.00255  1    110.63102  1     71.62243  1     1   2   3    0.12620
 H       1.00465  1    110.18523  1    311.96687  1     1   2   3    0.15090
 N      14.20335  0     59.28055  0    165.82135  0     3   2   1   -0.32860
 C       1.46213  0     44.41215  0     98.20624  0    47   3   2   -0.10550
 C       1.54890  0    109.51012  0    112.42708  0    48  47   3    0.20540
 O       1.23101  0    125.00583  0    126.76891  0    49  48  47   -0.27560
 H       1.11367  1    113.74887  1    305.37284  1    49  48  47    0.07660
 C       1.53831  1    114.45006  1    350.12543  1    48  47   3   -0.10580
 C       1.46572  1    113.27642  1    193.37424  1    52  48  47   -0.18770
 C       1.39894  1    125.40777  1    237.57749  1    53  52  48   -0.04290
 N       1.39140  1    110.28602  1    181.92102  1    54  53  52   -0.19760
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 C       1.44926  1    108.09815  1    359.14627  1    56  55  54   -0.06400
 C       1.39603  1    119.05059  1    179.86437  1    57  56  55   -0.09370
 C       1.38668  1    119.15034  1      0.22753  1    58  57  56   -0.15890
 C       1.40645  1    121.35686  1    359.92249  1    59  58  57   -0.12470
 C       1.38562  1    121.54580  1    359.92965  1    60  59  58   -0.13260
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 H       1.09894  1    120.16949  1    180.39349  1    58  57  56    0.12240
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 H       1.09496  1    129.37807  1      1.07210  1    54  53  52    0.18360
 H       1.12620  1    108.53914  1    314.03128  1    52  48  47    0.08690
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 H       1.13006  1    107.51587  1    229.36404  1    48  47   3    0.13070
 H       1.00141  1     93.40640  1    343.82676  1    47   3   2    0.14590
 H       1.00186  1     77.33530  1    235.54807  1    47   3   2    0.13510

