REAL300033680246.mol2 36                                                        
   1       C    -0.17    -0.80     9.29      37.16       0.35    -0.45     16
   2       C     0.16     0.74     2.42     -67.93      -0.16     0.58     16
   3       H     0.10     0.68     7.37     -51.93      -0.38     0.30     16
   4       N    -0.70    -1.23     5.08     -53.80      -0.27    -1.50     16
   5       C     0.47     1.94     7.12     -10.99      -0.08     1.86     16
   6       O    -0.45    -4.39    12.13       5.55       0.07    -4.32     16
   7       C     0.36     0.62     5.47      36.01       0.20     0.81     16
   8       F     0.00     0.02    16.66       2.25       0.04     0.06     16
   9       F    -0.20    -2.58    13.71       2.25       0.03    -2.55     16
  10       F    -0.29    -3.36    15.87       2.25       0.04    -3.33     16
  11       F    -0.07    -0.87    13.71       2.25       0.03    -0.84     16
  12       F    -0.20    -2.28    15.88       2.25       0.04    -2.25     16
  13       C    -0.14    -0.92     3.50     -89.69      -0.31    -1.24     16
  14       C     0.11     1.19     8.39      -2.97      -0.02     1.17     16
  15       N    -0.64   -10.41     3.61    -179.61      -0.65   -11.06     16
  16       C     0.63    14.77     8.04     -12.49      -0.10    14.67     16
  17       O    -0.50   -13.82    16.45     -13.01      -0.21   -14.03     16
  18       C    -0.05    -1.25     6.68     -83.92      -0.56    -1.81     16
  19       N    -0.49   -10.59     9.33      24.03       0.22   -10.37     16
  20       S     0.39     8.25    24.20    -107.50      -2.60     5.65     16
  21       N    -0.60   -16.81    12.18      28.50       0.35   -16.46     16
  22       C     0.38    11.77     8.19     -17.49      -0.14    11.63     16
  23       O    -0.66   -23.71    17.64     -37.39      -0.66   -24.37     16
  24       C     0.13     1.48     6.36      -2.97      -0.02     1.47     16
  25       H     0.06     0.23     8.14     -51.93      -0.42    -0.19     16
  26       H     0.08     0.42     7.43     -51.93      -0.39     0.03     16
  27       H     0.07     0.40     8.14     -51.93      -0.42    -0.02     16
  28       H     0.41    -0.88     8.60     -40.82      -0.35    -1.24     16
  29       H     0.18    -0.53     7.65     -51.93      -0.40    -0.93     16
  30       H     0.18    -0.55     7.65     -51.93      -0.40    -0.95     16
  31       H     0.11     0.56     8.14     -51.93      -0.42     0.13     16
  32       H     0.08     0.81     8.14     -51.93      -0.42     0.39     16
  33       H     0.08     0.79     7.96     -51.93      -0.41     0.38     16
  34       H     0.08     0.84     8.06     -51.93      -0.42     0.42     16
  35       H     0.10     1.14     7.32     -51.93      -0.38     0.76     16
 Total:         -1.00   -48.33   336.48                 -4.20   -52.52