REAL300007974551.mol2 35                                                        
   1       O    -0.68   -21.03    17.11     -20.23      -0.35   -21.37     16
   2       C     0.48    13.73     6.89      36.00       0.25    13.98     16
   3       O    -0.68   -21.81    17.38     -26.45      -0.46   -22.27     16
   4       C     0.06     1.15     1.19     -89.94      -0.11     1.05     16
   5       O    -0.55   -11.05    12.73     -54.39      -0.69   -11.75     16
   6       C    -0.14    -2.34     6.23     -24.58      -0.15    -2.50     16
   7       C     0.13     1.57     6.98      -2.53      -0.02     1.55     16
   8       N    -1.00   -13.42     3.70    -111.42      -0.41   -13.84     16
   9       S     2.71    29.80     5.93    -107.50      -0.64    29.17     16
  10       O    -0.93   -12.32    16.86     -57.17      -0.96   -13.28     16
  11       O    -0.94   -11.07    16.88     -57.17      -0.96   -12.03     16
  12       C    -0.68    -5.60     5.97     -39.58      -0.24    -5.83     16
  13       C     0.04     0.24     9.52     -39.58      -0.38    -0.14     16
  14       C    -0.13    -0.97     8.62     -39.59      -0.34    -1.31     16
  15       C     0.41     4.29     4.82     -39.58      -0.19     4.10     16
  16       F    -0.14    -2.60    16.66       2.25       0.04    -2.57     16
  17       F    -0.15    -2.49    15.31       2.25       0.03    -2.46     16
  18       F    -0.18    -2.69    15.31       2.25       0.03    -2.66     16
  19       F    -0.17    -2.70    15.31       2.25       0.03    -2.66     16
  20       F    -0.16    -2.59    15.31       2.25       0.03    -2.55     16
  21       C    -0.13    -1.06     8.62     -39.58      -0.34    -1.41     16
  22       C     0.04     0.34     9.52     -39.59      -0.38    -0.04     16
  23       C     0.15     2.57     6.32      -3.07      -0.02     2.55     16
  24       H     0.38     6.70     8.97      45.56       0.41     7.10     16
  25       H     0.08     1.16     8.14     -51.93      -0.42     0.74     16
  26       H     0.09     1.60     7.65     -51.93      -0.40     1.21     16
  27       H     0.08     0.92     8.14     -51.93      -0.42     0.50     16
  28       H     0.07     0.63     8.14     -51.93      -0.42     0.21     16
  29       H     0.19     0.65     7.62     -52.49      -0.40     0.25     16
  30       H     0.19     1.10     7.40     -52.49      -0.39     0.71     16
  31       H     0.19     1.36     7.40     -52.49      -0.39     0.97     16
  32       H     0.19     1.11     7.62     -52.49      -0.40     0.71     16
  33       H     0.09     1.53     7.56     -51.93      -0.39     1.14     16
  34       H     0.08     1.45     8.07     -51.93      -0.42     1.03     16
 Total:         -1.00   -41.85   329.90                 -4.89   -46.74