REAL300008098451.mol2 37                                                        
   1       C     0.03     0.34    11.01     101.05       1.11     1.45     16
   2       O    -0.39    -5.64    10.70     -35.23      -0.38    -6.02     16
   3       C     0.06     0.80     5.83      37.16       0.22     1.02     16
   4       C    -0.11    -1.84     5.16     -26.74      -0.14    -1.98     16
   5       C     0.08     1.62     2.65     -69.08      -0.18     1.44     16
   6       N    -1.07   -17.73     4.43      -5.88      -0.03   -17.76     16
   7       S     2.69    40.49     5.65    -107.50      -0.61    39.88     16
   8       O    -0.95   -15.41    17.28     -57.17      -0.99   -16.40     16
   9       O    -0.91   -17.12    17.05     -57.17      -0.97   -18.09     16
  10       C    -0.63    -6.50     5.82     -39.58      -0.23    -6.73     16
  11       C    -0.01    -0.05     8.88     -39.59      -0.35    -0.40     16
  12       C    -0.08    -0.34    10.05     -39.59      -0.40    -0.74     16
  13       C    -0.06    -0.42     8.62     -39.58      -0.34    -0.76     16
  14       C     0.35     3.69     4.82     -39.58      -0.19     3.50     16
  15       F    -0.13    -2.53    16.66       2.25       0.04    -2.49     16
  16       F    -0.18    -2.72    15.32       2.25       0.03    -2.68     16
  17       F    -0.16    -2.65    15.30       2.25       0.03    -2.61     16
  18       F    -0.18    -2.68    15.31       2.25       0.03    -2.64     16
  19       F    -0.16    -2.61    15.32       2.25       0.03    -2.57     16
  20       C    -0.02    -0.17     8.10     -39.59      -0.32    -0.49     16
  21       C     0.49    13.86     7.36      36.01       0.26    14.13     16
  22       O    -0.69   -21.80    18.00     -20.22      -0.36   -22.16     16
  23       O    -0.67   -21.20    17.36     -20.23      -0.35   -21.55     16
  24       H     0.04     0.43     8.14     -51.93      -0.42     0.01     16
  25       H     0.04     0.38     8.14     -51.93      -0.42    -0.04     16
  26       H     0.08     0.81     8.14     -51.93      -0.42     0.39     16
  27       H     0.04     0.51     8.14     -51.93      -0.42     0.09     16
  28       H     0.05     0.57     7.75     -51.93      -0.40     0.16     16
  29       H     0.08     1.38     8.14     -51.93      -0.42     0.95     16
  30       H     0.09     1.70     8.14     -51.93      -0.42     1.27     16
  31       H     0.08     1.22     7.21     -51.93      -0.37     0.85     16
  32       H     0.42     6.26     8.84     -34.47      -0.30     5.95     16
  33       H     0.19     1.25     7.62     -52.49      -0.40     0.85     16
  34       H     0.19     0.04     8.06     -52.49      -0.42    -0.39     16
  35       H     0.19     0.88     7.40     -52.48      -0.39     0.49     16
  36       H     0.20     2.05     6.96     -52.48      -0.37     1.68     16
 Total:         -1.00   -43.10   349.36                 -4.00   -47.10