REAL300033540465.mol2 36                                                        
   1       C    -0.16    -2.71     9.10      71.98       0.66    -2.05     16
   2       C     0.15     2.03     3.21      45.35       0.15     2.17     16
   3       H     0.09     1.36     7.72      -2.39      -0.02     1.34     16
   4       C     0.13     2.41     2.84      46.18       0.13     2.54     16
   5       H     0.10     2.18     7.25      -2.39      -0.02     2.16     16
   6       N    -0.70   -19.11     5.18    -440.09      -2.28   -21.39     16
   7       C     0.61    25.97     7.81      86.69       0.68    26.65     16
   8       O    -0.54   -27.50    15.36      13.49       0.21   -27.29     16
   9       C    -0.08    -4.01     6.69      41.98       0.28    -3.73     16
  10       N    -0.47   -18.97    10.83     -77.88      -0.84   -19.81     16
  11       S     0.51    20.00    24.20     -56.49      -1.37    18.63     16
  12       N    -0.64   -35.41    12.18    -177.20      -2.16   -37.56     16
  13       C     0.36    21.49     8.19      85.12       0.70    22.19     16
  14       O    -0.73   -52.91    17.64     -73.78      -1.30   -54.21     16
  15       C    -0.15    -1.40     6.77      31.98       0.22    -1.19     16
  16       C     0.08    -0.14     6.70      86.79       0.58     0.45     16
  17       N    -0.59    -3.45     3.07    -787.24      -2.42    -5.87     16
  18       C     0.47     4.07     6.97      87.66       0.61     4.68     16
  19       O    -0.51   -10.78    11.53      -3.03      -0.03   -10.81     16
  20       C     0.38    -0.05     4.48      71.23       0.32     0.27     16
  21       F    -0.22    -7.88    16.66      44.97       0.75    -7.13     16
  22       F    -0.18    -3.57    15.88      44.97       0.71    -2.85     16
  23       F    -0.13    -3.54    13.71      44.97       0.62    -2.92     16
  24       F    -0.18    -3.55    15.87      44.97       0.71    -2.84     16
  25       F    -0.13    -3.53    13.71      44.97       0.62    -2.91     16
  26       H     0.06     1.23     6.91      -2.39      -0.02     1.22     16
  27       H     0.06     1.23     8.14      -2.39      -0.02     1.21     16
  28       H     0.07     1.06     8.14      -2.39      -0.02     1.04     16
  29       H     0.41    10.04     7.86     -92.71      -0.73     9.31     16
  30       H     0.09     1.15     8.14      -2.39      -0.02     1.13     16
  31       H     0.09     0.87     8.14      -2.38      -0.02     0.85     16
  32       H     0.12    -0.69     8.14      -2.39      -0.02    -0.71     16
  33       H     0.14    -1.75     7.48      -2.39      -0.02    -1.76     16
  34       H     0.25    -3.08     7.65      -2.39      -0.02    -3.10     16
  35       H     0.25    -3.11     7.35      -2.39      -0.02    -3.13     16
 Total:         -1.00  -112.03   331.51                 -3.40  -115.43