REAL300008011698.mol2 39                                                        
   1       C    -0.15    -2.65     8.01      37.16       0.30    -2.35     16
   2       C    -0.04    -0.69     0.53    -154.51      -0.08    -0.77     16
   3       C    -0.15    -2.51     8.00      37.16       0.30    -2.21     16
   4       C     0.11     1.28     5.11      -4.04      -0.02     1.26     16
   5       N    -1.10    -9.65     5.33     -10.62      -0.06    -9.71     16
   6       S     2.70    20.44     5.74    -107.50      -0.62    19.82     16
   7       O    -0.95    -8.85    17.28     -57.17      -0.99    -9.84     16
   8       O    -0.94    -9.55    16.76     -57.17      -0.96   -10.51     16
   9       C    -0.67    -3.42     5.95     -39.58      -0.24    -3.65     16
  10       C     0.04     0.17     9.52     -39.59      -0.38    -0.21     16
  11       C    -0.13    -0.71     8.62     -39.59      -0.34    -1.05     16
  12       C     0.41     3.27     4.82     -39.58      -0.19     3.08     16
  13       F    -0.13    -2.27    16.66       2.25       0.04    -2.23     16
  14       F    -0.16    -2.29    15.31       2.25       0.03    -2.26     16
  15       F    -0.17    -2.36    15.31       2.25       0.03    -2.32     16
  16       F    -0.17    -2.35    15.31       2.25       0.03    -2.31     16
  17       F    -0.16    -2.26    15.31       2.25       0.03    -2.23     16
  18       C    -0.13    -0.67     8.62     -39.58      -0.34    -1.01     16
  19       C     0.04     0.15     9.52     -39.59      -0.38    -0.22     16
  20       C    -0.18    -3.81     4.85     -27.88      -0.14    -3.94     16
  21       C     0.50    14.61     7.46      36.01       0.27    14.88     16
  22       O    -0.68   -20.86    12.24     -20.23      -0.25   -21.11     16
  23       O    -0.70   -24.03    18.00     -20.23      -0.36   -24.39     16
  24       H     0.10     2.27     5.50     -51.93      -0.29     1.99     16
  25       H     0.04     0.66     8.14     -51.93      -0.42     0.24     16
  26       H     0.04     0.52     7.20     -51.93      -0.37     0.15     16
  27       H     0.03     0.45     6.60     -51.93      -0.34     0.11     16
  28       H     0.04     0.59     8.14     -51.93      -0.42     0.16     16
  29       H     0.10     2.26     5.50     -51.93      -0.29     1.97     16
  30       H     0.08     0.85     7.75     -51.93      -0.40     0.44     16
  31       H     0.06     0.56     8.14     -51.93      -0.42     0.14     16
  32       H     0.43     3.53     6.47     -34.47      -0.22     3.31     16
  33       H     0.19     0.42     7.62     -52.48      -0.40     0.02     16
  34       H     0.19     0.84     7.40     -52.48      -0.39     0.45     16
  35       H     0.19     0.74     7.40     -52.49      -0.39     0.35     16
  36       H     0.19     0.24     7.62     -52.48      -0.40    -0.16     16
  37       H     0.06     1.18     8.14     -51.93      -0.42     0.75     16
  38       H     0.06     1.22     8.14     -51.93      -0.42     0.80     16
 Total:         -1.00   -42.67   344.05                 -4.71   -47.39