REAL300008312807.mol2 37                                                        
   1       C    -0.15    -1.96    10.28      37.16       0.38    -1.58     16
   2       C     0.06     0.82     6.66      37.16       0.25     1.06     16
   3       O    -0.37    -7.13     9.53     -35.23      -0.34    -7.46     16
   4       C     0.08     1.32     5.72      37.16       0.21     1.53     16
   5       C     0.08     1.56     3.05     -69.08      -0.21     1.35     16
   6       N    -1.07   -18.89     4.97      -5.88      -0.03   -18.92     16
   7       S     2.69    42.16     5.65    -107.50      -0.61    41.55     16
   8       O    -0.95   -16.04    17.28     -57.17      -0.99   -17.03     16
   9       O    -0.91   -17.61    17.05     -57.17      -0.97   -18.58     16
  10       C    -0.63    -6.70     5.82     -39.58      -0.23    -6.93     16
  11       C    -0.01    -0.06     8.88     -39.58      -0.35    -0.41     16
  12       C    -0.08    -0.35    10.05     -39.59      -0.40    -0.75     16
  13       C    -0.06    -0.43     8.62     -39.59      -0.34    -0.77     16
  14       C     0.35     3.80     4.82     -39.59      -0.19     3.61     16
  15       F    -0.13    -2.60    16.68       2.25       0.04    -2.56     16
  16       F    -0.18    -2.79    15.32       2.25       0.03    -2.75     16
  17       F    -0.16    -2.68    15.30       2.25       0.03    -2.65     16
  18       F    -0.18    -2.73    15.31       2.25       0.03    -2.70     16
  19       F    -0.16    -2.68    15.32       2.25       0.03    -2.64     16
  20       C    -0.01    -0.15     8.10     -39.58      -0.32    -0.47     16
  21       C     0.50    14.63     6.88      36.01       0.25    14.87     16
  22       O    -0.70   -22.60    18.00     -20.23      -0.36   -22.96     16
  23       O    -0.67   -21.86    17.36     -20.22      -0.35   -22.21     16
  24       H     0.06     0.66     8.14     -51.93      -0.42     0.24     16
  25       H     0.07     0.96     8.14     -51.93      -0.42     0.53     16
  26       H     0.06     0.81     8.14     -51.93      -0.42     0.39     16
  27       H     0.04     0.62     8.14     -51.93      -0.42     0.20     16
  28       H     0.04     0.51     8.14     -51.93      -0.42     0.08     16
  29       H     0.06     1.12     8.14     -51.93      -0.42     0.70     16
  30       H     0.04     0.57     8.14     -51.93      -0.42     0.15     16
  31       H     0.09     1.40     7.21     -51.93      -0.37     1.02     16
  32       H     0.43     7.17     8.58     -34.47      -0.30     6.88     16
  33       H     0.19     1.28     7.62     -52.49      -0.40     0.88     16
  34       H     0.19     0.05     8.06     -52.48      -0.42    -0.37     16
  35       H     0.19     0.91     7.40     -52.49      -0.39     0.52     16
  36       H     0.20     2.13     6.96     -52.49      -0.37     1.76     16
 Total:         -1.00   -44.79   349.48                 -4.37   -49.15