REAL300016313511.mol2 30                                                        
   1       C    -0.15    -2.49     9.50      37.16       0.35    -2.13     15
   2       C     0.07     1.36     3.37     -69.08      -0.23     1.13     15
   3       H     0.09     1.64     7.50     -51.93      -0.39     1.25     15
   4       N    -1.07   -17.65     5.44      -5.88      -0.03   -17.68     15
   5       S     2.69    35.20     5.72    -107.50      -0.61    34.58     15
   6       O    -0.95   -13.42    17.28     -57.17      -0.99   -14.41     15
   7       O    -0.94   -14.86    16.63     -57.17      -0.95   -15.81     15
   8       C    -0.67    -6.21     5.07     -39.58      -0.20    -6.41     15
   9       C     0.03     0.28     8.56     -39.59      -0.34    -0.05     15
  10       C    -0.13    -1.11     8.62     -39.58      -0.34    -1.45     15
  11       C     0.41     4.21     4.82     -39.59      -0.19     4.02     15
  12       F    -0.01    -0.18    16.66       2.25       0.04    -0.14     15
  13       F    -0.12    -1.73    15.31       2.25       0.03    -1.70     15
  14       F    -0.18    -2.80    15.32       2.25       0.03    -2.77     15
  15       F    -0.24    -3.67    15.32       2.25       0.03    -3.63     15
  16       F    -0.22    -3.38    15.31       2.25       0.03    -3.34     15
  17       C    -0.13    -1.03     8.62     -39.59      -0.34    -1.37     15
  18       C     0.04     0.25     9.52     -39.58      -0.38    -0.12     15
  19       C     0.50    14.34     7.23      36.00       0.26    14.60     15
  20       O    -0.68   -22.20    18.00     -20.23      -0.36   -22.57     15
  21       O    -0.68   -21.23    17.09     -20.23      -0.35   -21.58     15
  22       H     0.06     1.07     8.14     -51.93      -0.42     0.65     15
  23       H     0.04     0.46     6.15     -51.93      -0.32     0.14     15
  24       H     0.07     1.19     8.14     -51.93      -0.42     0.77     15
  25       H     0.43     7.15     8.15     -34.47      -0.28     6.87     15
  26       H     0.19     1.27     7.62     -52.49      -0.40     0.87     15
  27       H     0.19     1.37     7.40     -52.48      -0.39     0.98     15
  28       H     0.19     1.15     7.40     -52.48      -0.39     0.76     15
  29       H     0.19     0.89     7.62     -52.49      -0.40     0.49     15
 Total:         -1.00   -40.11   291.50                 -3.55   -43.65