REAL300032287452.mol2 36                                                        
   1       C     0.06     1.39     8.50     127.77       1.09     2.47     16
   2       N    -0.59   -17.00     2.88    -819.73      -2.36   -19.36     16
   3       C     0.60    26.80     7.66      86.69       0.66    27.46     16
   4       O    -0.55   -29.59    15.11      13.36       0.20   -29.39     16
   5       C    -0.08    -3.98     6.55      41.98       0.27    -3.70     16
   6       N    -0.45   -17.73     7.36     -77.92      -0.57   -18.31     16
   7       S     0.49    19.20    24.20     -56.49      -1.37    17.83     16
   8       N    -0.64   -35.66    12.18    -177.21      -2.16   -37.81     16
   9       C     0.35    21.80     8.18      85.12       0.70    22.50     16
  10       O    -0.73   -54.46    17.65     -73.82      -1.30   -55.76     16
  11       C     0.12     2.36     3.35      46.18       0.15     2.51     16
  12       C    -0.14    -0.74     6.58      31.99       0.21    -0.53     16
  13       C     0.08    -0.28     6.69      86.86       0.58     0.30     16
  14       N    -0.59    -3.96     3.33    -811.78      -2.70    -6.66     16
  15       C     0.47     4.66     7.17      87.66       0.63     5.29     16
  16       O    -0.52   -12.65    12.79      -3.03      -0.04   -12.68     16
  17       C     0.38    -0.07     4.48      71.24       0.32     0.24     16
  18       F    -0.22    -8.03    16.68      44.97       0.75    -7.28     16
  19       F    -0.18    -3.50    15.88      44.97       0.71    -2.79     16
  20       F    -0.14    -3.77    13.70      44.97       0.62    -3.15     16
  21       F    -0.17    -3.34    15.88      44.97       0.71    -2.63     16
  22       F    -0.14    -3.99    13.71      44.97       0.62    -3.37     16
  23       C     0.11     1.86     6.51      86.73       0.56     2.43     16
  24       H     0.04     1.07     8.10      -2.39      -0.02     1.05     16
  25       H     0.11     1.32     6.04      -2.39      -0.01     1.31     16
  26       H     0.11     2.78     4.90      -7.82      -0.04     2.74     16
  27       H     0.10     2.43     7.01      -2.39      -0.02     2.41     16
  28       H     0.11     0.52     8.14      -2.39      -0.02     0.50     16
  29       H     0.10     0.37     6.06      -2.38      -0.01     0.35     16
  30       H     0.12    -0.86     8.14      -2.39      -0.02    -0.88     16
  31       H     0.15    -2.25     7.47      -2.39      -0.02    -2.27     16
  32       H     0.25    -3.17     7.65      -2.39      -0.02    -3.19     16
  33       H     0.25    -3.48     7.35      -2.39      -0.02    -3.50     16
  34       H     0.07     1.48     7.15      -2.39      -0.02     1.47     16
  35       H     0.06     1.38     8.14      -2.39      -0.02     1.36     16
 Total:         -1.00  -119.10   323.18                 -1.94  -121.04