REAL300031746672.mol2 36                                                        
   1       O    -0.50   -10.91    11.88      -3.04      -0.04   -10.94     16
   2       C     0.46     3.81     7.02      87.66       0.62     4.42     16
   3       C     0.39     0.00     3.82      71.24       0.27     0.28     16
   4       F    -0.12    -4.05    16.66      44.97       0.75    -3.30     16
   5       F    -0.29    -6.51    15.87      44.97       0.71    -5.80     16
   6       F    -0.16    -4.27    13.72      44.97       0.62    -3.66     16
   7       F    -0.14    -2.65    15.88      44.97       0.71    -1.93     16
   8       F    -0.19    -5.62    13.70      44.97       0.62    -5.00     16
   9       N    -0.58    -2.55     2.98    -819.76      -2.44    -4.99     16
  10       C     0.09    -0.43     6.35      86.36       0.55     0.12     16
  11       C    -0.14    -0.37     5.55      30.67       0.17    -0.20     16
  12       C     0.14     2.33     2.42      45.02       0.11     2.44     16
  13       N    -0.70   -18.67     5.07    -445.60      -2.26   -20.93     16
  14       C     0.60    26.12     7.77      86.69       0.67    26.79     16
  15       O    -0.55   -28.76    15.38      13.50       0.21   -28.55     16
  16       C    -0.08    -4.15     6.69      41.98       0.28    -3.87     16
  17       N    -0.47   -18.63    10.83     -77.91      -0.84   -19.48     16
  18       S     0.51    19.90    24.20     -56.49      -1.37    18.53     16
  19       N    -0.65   -35.74    12.18    -177.23      -2.16   -37.90     16
  20       C     0.35    21.64     8.19      85.12       0.70    22.34     16
  21       O    -0.73   -53.96    17.64     -73.70      -1.30   -55.26     16
  22       C    -0.14    -2.60     5.64      30.53       0.17    -2.43     16
  23       C     0.13     1.60     6.40      86.22       0.55     2.15     16
  24       H     0.24    -2.74     7.19      -2.38      -0.02    -2.76     16
  25       H     0.25    -3.52     7.46      -2.39      -0.02    -3.54     16
  26       H     0.12    -0.82     8.14      -2.39      -0.02    -0.84     16
  27       H     0.14    -2.44     5.93      -2.39      -0.01    -2.45     16
  28       H     0.12     0.04     8.14      -2.38      -0.02     0.02     16
  29       H     0.10     0.07     8.14      -2.38      -0.02     0.05     16
  30       H     0.08     1.65     7.58      -2.39      -0.02     1.63     16
  31       H     0.42     9.19     8.09     -92.70      -0.75     8.44     16
  32       H     0.05     1.45     8.14      -2.39      -0.02     1.43     16
  33       H     0.08     1.32     8.14      -2.39      -0.02     1.30     16
  34       H     0.09     1.47     7.01      -2.38      -0.02     1.45     16
  35       H     0.10     1.10     8.14      -2.39      -0.02     1.08     16
 Total:         -1.00  -117.73   327.93                 -3.65  -121.38