REAL300007576564.mol2 33                                                        
   1       C    -0.13    -2.36     8.80      37.16       0.33    -2.03     16
   2       C    -0.16    -3.46     2.80     -91.77      -0.26    -3.71     16
   3       C     0.13     2.11     5.59      -4.05      -0.02     2.09     16
   4       N    -1.10   -12.41     5.53     -10.62      -0.06   -12.47     16
   5       S     2.70    26.77     5.74    -107.50      -0.62    26.15     16
   6       O    -0.95   -10.41    17.28     -57.17      -0.99   -11.39     16
   7       O    -0.94   -12.00    16.76     -57.17      -0.96   -12.96     16
   8       C    -0.67    -5.28     5.95     -39.58      -0.24    -5.51     16
   9       C     0.04     0.27     9.52     -39.59      -0.38    -0.11     16
  10       C    -0.13    -1.09     8.62     -39.58      -0.34    -1.43     16
  11       C     0.41     4.18     4.82     -39.58      -0.19     3.99     16
  12       F    -0.01    -0.11    16.66       2.25       0.04    -0.07     16
  13       F    -0.12    -1.73    15.32       2.25       0.03    -1.70     16
  14       F    -0.18    -2.78    15.31       2.25       0.03    -2.75     16
  15       F    -0.25    -3.74    15.31       2.25       0.03    -3.71     16
  16       F    -0.21    -3.35    15.32       2.25       0.03    -3.31     16
  17       C    -0.13    -0.96     8.62     -39.58      -0.34    -1.30     16
  18       C     0.03     0.21     9.52     -39.58      -0.38    -0.17     16
  19       C     0.50    14.77     6.99      36.01       0.25    15.02     16
  20       O    -0.70   -23.25    18.00     -20.23      -0.36   -23.61     16
  21       O    -0.69   -22.48    17.28     -20.23      -0.35   -22.83     16
  22       H     0.04     0.56     7.54     -51.93      -0.39     0.16     16
  23       H     0.05     0.93     8.14     -51.93      -0.42     0.51     16
  24       H     0.06     1.26     7.87     -51.93      -0.41     0.86     16
  25       H     0.07     1.39     8.14     -51.93      -0.42     0.96     16
  26       H     0.09     1.43     7.75     -51.93      -0.40     1.03     16
  27       H     0.06     0.98     8.14     -51.93      -0.42     0.56     16
  28       H     0.42     3.99     8.37     -34.47      -0.29     3.70     16
  29       H     0.19     1.14     7.62     -52.48      -0.40     0.74     16
  30       H     0.19     1.42     7.40     -52.49      -0.39     1.03     16
  31       H     0.19     1.07     7.40     -52.49      -0.39     0.68     16
  32       H     0.19     0.60     7.62     -52.49      -0.40     0.20     16
 Total:         -1.00   -42.31   315.73                 -4.30   -46.61