REAL300007939100.mol2 37                                                        
   1       O    -0.69   -20.38    17.99     -20.23      -0.36   -20.74     16
   2       C     0.51    13.38     5.82      36.00       0.21    13.59     16
   3       O    -0.69   -19.90    15.58     -20.23      -0.32   -20.22     16
   4       C    -0.18    -3.69     3.34     -90.66      -0.30    -4.00     16
   5       H     0.07     1.33     8.14     -51.92      -0.42     0.90     16
   6       C    -0.11    -1.89     6.32     -25.08      -0.16    -2.05     16
   7       C    -0.12    -1.66     6.91     -24.74      -0.17    -1.83     16
   8       C    -0.13    -1.74     6.54     -25.01      -0.16    -1.90     16
   9       C     0.17     2.69     3.55     -66.75      -0.24     2.46     16
  10       H     0.08     1.05     7.67     -51.93      -0.40     0.65     16
  11       N    -1.08   -18.23     4.13      -3.89      -0.02   -18.25     16
  12       S     2.70    40.20     5.63    -107.50      -0.60    39.60     16
  13       O    -0.95   -16.00    17.28     -57.17      -0.99   -16.98     16
  14       O    -0.95   -14.13    16.84     -57.17      -0.96   -15.10     16
  15       C    -0.67    -9.31     5.95     -39.58      -0.24    -9.55     16
  16       C     0.03     0.34     9.52     -39.58      -0.38    -0.04     16
  17       C    -0.13    -1.70     8.62     -39.58      -0.34    -2.04     16
  18       C     0.42     6.49     4.82     -39.58      -0.19     6.30     16
  19       F    -0.03    -0.56    16.67       2.25       0.04    -0.52     16
  20       F    -0.20    -4.16    15.31       2.25       0.03    -4.12     16
  21       F    -0.25    -4.63    15.31       2.25       0.03    -4.59     16
  22       F    -0.13    -2.39    15.32       2.25       0.03    -2.35     16
  23       F    -0.18    -3.49    15.30       2.25       0.03    -3.46     16
  24       C    -0.12    -1.72     8.62     -39.58      -0.34    -2.06     16
  25       C     0.07     0.95     9.52     -39.58      -0.38     0.58     16
  26       H     0.08     1.59     7.24     -51.93      -0.38     1.22     16
  27       H     0.05     0.90     8.14     -51.93      -0.42     0.48     16
  28       H     0.06     0.77     8.14     -51.93      -0.42     0.35     16
  29       H     0.06     0.74     8.14     -51.93      -0.42     0.32     16
  30       H     0.08     1.11     8.05     -51.93      -0.42     0.69     16
  31       H     0.07     0.79     8.14     -51.93      -0.42     0.37     16
  32       H     0.44     8.03     7.29     -34.47      -0.25     7.78     16
  33       H     0.18     1.50     7.62     -52.49      -0.40     1.10     16
  34       H     0.18     1.96     7.40     -52.49      -0.39     1.57     16
  35       H     0.18     2.35     7.40     -52.49      -0.39     1.96     16
  36       H     0.19     2.41     7.62     -52.48      -0.40     2.01     16
 Total:         -1.00   -36.99   335.89                 -5.83   -42.82