REAL300031397602.mol2 34                                                        
   1       O    -0.44    -5.34    12.16       5.55       0.07    -5.27     16
   2       C     0.46     2.86     7.15     -10.98      -0.08     2.78     16
   3       C     0.37     1.06     5.47      36.01       0.20     1.25     16
   4       F    -0.03    -0.53    16.66       2.25       0.04    -0.49     16
   5       F    -0.28    -3.68    15.87       2.25       0.04    -3.64     16
   6       F    -0.16    -2.26    13.72       2.25       0.03    -2.23     16
   7       F    -0.16    -1.78    15.88       2.25       0.04    -1.75     16
   8       F    -0.14    -2.10    13.70       2.25       0.03    -2.06     16
   9       N    -0.69    -2.98     5.18     -51.72      -0.27    -3.25     16
  10       C     0.15     1.18     3.25     -65.78      -0.21     0.96     16
  11       H     0.13     1.13     7.64     -51.93      -0.40     0.73     16
  12       C     0.10     1.32     6.60      -2.53      -0.02     1.30     16
  13       N    -0.62   -10.21     3.33    -171.73      -0.57   -10.78     16
  14       C     0.62    14.67     7.84     -12.48      -0.10    14.57     16
  15       O    -0.49   -13.81    15.98     -13.01      -0.21   -14.02     16
  16       C    -0.05    -1.22     6.62     -83.92      -0.56    -1.78     16
  17       N    -0.50   -10.33     8.35      24.03       0.20   -10.13     16
  18       S     0.39     8.06    24.20    -107.50      -2.60     5.46     16
  19       N    -0.60   -16.65    12.18      28.50       0.35   -16.31     16
  20       C     0.38    11.74     8.19     -17.49      -0.14    11.60     16
  21       O    -0.66   -23.67    17.64     -37.37      -0.66   -24.33     16
  22       C     0.09     1.07     5.22      -3.04      -0.02     1.06     16
  23       C     0.09     0.55     4.20     -24.87      -0.10     0.45     16
  24       H     0.09     0.37     8.14     -51.93      -0.42    -0.05     16
  25       O    -0.56    -2.58    12.16     -35.23      -0.43    -3.01     16
  26       H     0.19    -0.30     7.65     -51.92      -0.40    -0.70     16
  27       H     0.18    -0.53     7.65     -51.93      -0.40    -0.93     16
  28       H     0.42     0.38     7.57     -40.82      -0.31     0.07     16
  29       H     0.07     0.90     8.14     -51.93      -0.42     0.48     16
  30       H     0.09     1.37     8.04     -51.93      -0.42     0.95     16
  31       H     0.08     1.01     7.55     -51.93      -0.39     0.62     16
  32       H     0.09     1.07     7.52     -51.93      -0.39     0.68     16
  33       H     0.39     0.64     9.09      45.56       0.41     1.06     16
 Total:         -1.00   -48.59   320.51                 -3.28   -51.87