REAL300010893087.mol2 37                                                        
   1       O    -0.65   -20.56    17.16     -27.32      -0.47   -21.03     16
   2       C     0.50    13.41     4.04      36.01       0.15    13.56     16
   3       O    -0.70   -18.44    12.50     -27.34      -0.34   -18.78     16
   4       C     0.08     1.56     3.35     -68.75      -0.23     1.33     16
   5       H     0.07     1.49     8.13     -51.93      -0.42     1.07     16
   6       C    -0.12    -1.94     5.25     -26.61      -0.14    -2.08     16
   7       C    -0.12    -1.47     5.88     -26.69      -0.16    -1.63     16
   8       C    -0.13    -1.47     6.08     -26.61      -0.16    -1.64     16
   9       C     0.12     1.44     6.35      -3.69      -0.02     1.42     16
  10       N    -0.97   -16.37     3.30    -107.67      -0.36   -16.72     16
  11       S     2.68    48.02     5.21    -107.50      -0.56    47.46     16
  12       O    -0.96   -16.54    16.27     -57.17      -0.93   -17.47     16
  13       O    -0.88   -20.73    12.30     -70.12      -0.86   -21.59     16
  14       C    -0.67    -9.90     5.97     -39.59      -0.24   -10.13     16
  15       C     0.06     1.00     8.78     -39.59      -0.35     0.65     16
  16       C    -0.14    -1.94     8.62     -39.59      -0.34    -2.28     16
  17       C     0.42     6.00     4.82     -39.59      -0.19     5.81     16
  18       F    -0.03    -0.55    16.66       2.25       0.04    -0.52     16
  19       F    -0.20    -3.60    15.31       2.25       0.03    -3.56     16
  20       F    -0.12    -2.17    15.32       2.25       0.03    -2.13     16
  21       F    -0.24    -4.27    15.32       2.25       0.03    -4.23     16
  22       F    -0.23    -4.31    15.31       2.25       0.03    -4.28     16
  23       C    -0.15    -1.73     8.62     -39.58      -0.34    -2.07     16
  24       C     0.02     0.25     9.52     -39.58      -0.38    -0.12     16
  25       H     0.07     1.30     7.76     -51.93      -0.40     0.90     16
  26       H     0.07     1.14     8.14     -51.93      -0.42     0.72     16
  27       H     0.06     0.66     8.14     -51.93      -0.42     0.24     16
  28       H     0.06     0.72     8.14     -51.93      -0.42     0.30     16
  29       H     0.06     0.72     8.14     -51.93      -0.42     0.30     16
  30       H     0.07     0.60     8.14     -51.93      -0.42     0.18     16
  31       H     0.08     0.80     7.35     -51.93      -0.38     0.42     16
  32       H     0.08     0.84     8.14     -51.93      -0.42     0.42     16
  33       H     0.24     4.44     4.54     -52.49      -0.24     4.20     16
  34       H     0.18     2.39     7.40     -52.48      -0.39     2.00     16
  35       H     0.18     1.76     7.40     -52.48      -0.39     1.37     16
  36       H     0.18     1.41     7.62     -52.49      -0.40     1.01     16
 Total:         -1.00   -36.01   321.00                 -6.07   -42.08