REAL300007748033.mol2 37                                                        
   1       C    -0.17    -2.99     7.76      37.16       0.29    -2.70     16
   2       C     0.17     2.85     3.40     -66.95      -0.23     2.63     16
   3       C    -0.16    -3.33     3.35     -89.93      -0.30    -3.63     16
   4       C     0.51    14.29     5.17      36.01       0.19    14.48     16
   5       O    -0.69   -20.97    15.79     -20.22      -0.32   -21.29     16
   6       O    -0.70   -22.61    18.00     -20.23      -0.36   -22.98     16
   7       C    -0.11    -1.86     6.42     -24.58      -0.16    -2.02     16
   8       C     0.12     1.45     6.98      -2.53      -0.02     1.43     16
   9       N    -1.00   -13.12     3.41    -104.42      -0.36   -13.47     16
  10       S     2.71    30.20     5.49    -107.50      -0.59    29.61     16
  11       O    -0.93   -12.33    16.50     -57.17      -0.94   -13.27     16
  12       O    -0.94   -11.23    16.88     -57.17      -0.96   -12.19     16
  13       C    -0.67    -5.78     5.97     -39.58      -0.24    -6.02     16
  14       C     0.04     0.24     9.52     -39.58      -0.38    -0.14     16
  15       C    -0.13    -1.00     8.62     -39.58      -0.34    -1.34     16
  16       C     0.42     4.41     4.82     -39.59      -0.19     4.22     16
  17       F    -0.13    -2.53    16.66       2.25       0.04    -2.50     16
  18       F    -0.15    -2.58    15.31       2.25       0.03    -2.54     16
  19       F    -0.18    -2.78    15.32       2.25       0.03    -2.75     16
  20       F    -0.18    -2.77    15.32       2.25       0.03    -2.74     16
  21       F    -0.16    -2.65    15.31       2.25       0.03    -2.62     16
  22       C    -0.13    -1.10     8.62     -39.58      -0.34    -1.44     16
  23       C     0.04     0.32     8.55     -39.58      -0.34    -0.02     16
  24       H     0.07     1.35     7.61     -51.93      -0.39     0.95     16
  25       H     0.09     1.85     6.93     -51.93      -0.36     1.49     16
  26       H     0.04     0.50     5.30     -51.93      -0.28     0.23     16
  27       H     0.08     1.33     8.14     -51.93      -0.42     0.90     16
  28       H     0.08     1.54     8.14     -51.93      -0.42     1.12     16
  29       H     0.07     1.11     8.14     -51.93      -0.42     0.69     16
  30       H     0.09     1.64     7.24     -51.93      -0.38     1.27     16
  31       H     0.07     0.79     8.14     -51.93      -0.42     0.37     16
  32       H     0.07     0.63     8.14     -51.93      -0.42     0.21     16
  33       H     0.19     0.70     7.62     -52.49      -0.40     0.30     16
  34       H     0.19     1.14     7.40     -52.49      -0.39     0.75     16
  35       H     0.19     1.40     7.40     -52.48      -0.39     1.01     16
  36       H     0.19     1.26     6.12     -52.49      -0.32     0.94     16
 Total:         -1.00   -40.63   329.49                 -5.47   -46.10