
 -170.540879 

 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.31840
 C       1.43303  0      0.00000  0      0.00000  0     1   0   0   -0.07240
 C       1.48960  0    114.37444  0      0.00000  0     2   1   0    0.28980
 O       1.22130  0    115.94220  0     35.04188  0     3   2   1   -0.42250
 N       1.33077  0    117.40408  0    215.46347  0     3   2   1   -0.36350
 C       1.45261  0    123.47676  0    179.50902  0     5   3   2   -0.02500
 C       1.53773  0    111.93592  0    301.16164  0     6   5   3    0.17950
 O       1.25976  0    125.77695  0    157.62358  0     7   6   5   -0.31890
 H       1.11320  1    115.13512  1    337.95871  1     7   6   5    0.08940
 C       1.54113  1    113.91120  1    179.66582  1     6   5   3   -0.07860
 C       1.46573  1    112.77695  1    282.84232  1    10   6   5   -0.19810
 C       1.39834  1    126.26358  1     85.88546  1    11  10   6   -0.03930
 N       1.39270  1    110.10599  1    178.09960  1    12  11  10   -0.21170
 C       1.39685  1    108.58503  1      0.49643  1    13  12  11   -0.01350
 C       1.45010  1    107.96472  1    359.48408  1    14  13  12   -0.06380
 C       1.39480  1    119.24710  1    180.47110  1    15  14  13   -0.09170
 C       1.38778  1    119.04923  1    359.95436  1    16  15  14   -0.16480
 C       1.40539  1    121.34027  1      0.00000  1    17  16  15   -0.13180
 C       1.38683  1    121.57477  1      0.04314  1    18  17  16   -0.14320
 H       1.09759  1    121.21805  1    180.11225  1    19  18  17    0.12590
 H       1.09965  1    119.05108  1    180.16136  1    18  17  16    0.11630
 H       1.09927  1    119.67675  1    180.17161  1    17  16  15    0.11760
 H       1.09954  1    119.98160  1    180.21964  1    16  15  14    0.13310
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 H       1.10311  1    128.72644  1    357.13979  1    12  11  10    0.23440
 H       1.12376  1    109.86924  1     45.79216  1    10   6   5    0.09800
 H       1.12516  1    107.14188  1    162.77253  1    10   6   5    0.09670
 H       1.13329  1    108.40297  1     58.65267  1     6   5   3    0.12660
 H       1.00485  1    121.74249  1    356.41637  1     5   3   2    0.28630
 C       1.54445  1    116.44167  1    164.01034  1     2   3   4   -0.21390
 C       1.52390  1    111.95689  1     72.78142  1    30   2   3    0.32180
 O       1.27483  1    117.97631  1    244.14800  1    31  30   2   -0.61900
 O       1.26422  1    120.64369  1     63.95825  1    31  30   2   -0.57470
 C       2.68484  0    111.83507  1    181.28811  1    33  31  30   -0.10740
Cl       1.78440  1    158.44808  1      3.33309  1    34  33  31   -0.21830
 H       1.12724  1     52.40753  1     13.90544  1    34  33  31    0.20250
 H       1.11490  1     81.04073  1    251.06659  1    34  33  31    0.12300
 C       1.49870  1     82.49650  1    137.24442  1    34  33  31   -0.10950
 H       1.11532  1    112.16200  1    252.68031  1    38  34  33    0.10320
 H       1.12312  1    108.25146  1     14.75857  1    38  34  33    0.17330
Cl       1.76784  1    112.94251  1    133.04244  1    38  34  33   -0.17270
 H       1.12180  1    109.15881  1    190.83311  1    30   2   3    0.10470
 H       1.11823  1    110.71491  1    309.51313  1    30   2   3    0.07380
 H       1.14426  1    104.75475  1    279.34437  1     2   3   4    0.14300
 H       1.00251  1    110.64487  1     71.65200  1     1   2   3    0.12650
 H       1.00463  1    110.20168  1    311.98830  1     1   2   3    0.15090
 N      14.20335  0     59.28055  0    165.82135  0     3   2   1   -0.32920
 C       1.46213  0     44.41215  0     98.20624  0    47   3   2   -0.10490
 C       1.54890  0    109.51012  0    112.42708  0    48  47   3    0.20570
 O       1.23101  0    125.00583  0    126.76891  0    49  48  47   -0.27580
 H       1.11365  1    113.74592  1    305.37213  1    49  48  47    0.07650
 C       1.53823  1    114.05969  1    350.26278  1    48  47   3   -0.10560
 C       1.46517  1    113.78827  1    192.80483  1    52  48  47   -0.18930
 C       1.39929  1    125.09396  1    235.91209  1    53  52  48   -0.04220
 N       1.39098  1    110.30818  1    182.56842  1    54  53  52   -0.19600
 C       1.39670  1    108.39776  1      1.13321  1    55  54  53   -0.00240
 C       1.44954  1    108.12336  1    359.09874  1    56  55  54   -0.06320
 C       1.39600  1    119.02903  1    179.92020  1    57  56  55   -0.09390
 C       1.38665  1    119.16312  1      0.23687  1    58  57  56   -0.15900
 C       1.40640  1    121.36256  1    359.90596  1    59  58  57   -0.12520
 C       1.38564  1    121.54050  1    359.93075  1    60  59  58   -0.13230
 H       1.09823  1    121.32993  1    180.42553  1    61  60  59    0.13650
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 H       1.09892  1    120.20009  1    180.40129  1    58  57  56    0.12220
 H       0.98874  1    125.39246  1    175.27385  1    55  54  53    0.26790
 H       1.09493  1    129.30633  1      1.70517  1    54  53  52    0.18370
 H       1.12671  1    108.39840  1    313.49054  1    52  48  47    0.08630
 H       1.12433  1    109.18570  1     69.88756  1    52  48  47    0.08260
 H       1.12965  1    107.62943  1    229.47197  1    48  47   3    0.13050
 H       1.00144  1     93.44134  1    343.86722  1    47   3   2    0.14600
 H       1.00190  1     77.27856  1    235.60289  1    47   3   2    0.13510

