REAL300007985030.mol2 34                                                        
   1       C     0.04     0.69    10.78     101.05       1.09     1.78     16
   2       O    -0.37    -7.81     9.75     -55.08      -0.54    -8.34     16
   3       C     0.02     0.37     2.69     -27.88      -0.07     0.30     16
   4       H     0.06     1.17     7.79     -51.93      -0.40     0.77     16
   5       C     0.13     2.17     5.83      -4.04      -0.02     2.15     16
   6       N    -1.10   -13.07     5.86     -10.61      -0.06   -13.13     16
   7       S     2.70    27.96     5.74    -107.50      -0.62    27.34     16
   8       O    -0.95   -10.75    17.28     -57.17      -0.99   -11.74     16
   9       O    -0.93   -12.58    16.76     -57.17      -0.96   -13.54     16
  10       C    -0.67    -5.31     5.95     -39.58      -0.24    -5.54     16
  11       C     0.04     0.28     9.52     -39.58      -0.38    -0.10     16
  12       C    -0.13    -1.08     8.62     -39.58      -0.34    -1.42     16
  13       C     0.41     4.15     4.82     -39.58      -0.19     3.96     16
  14       F    -0.01    -0.13    16.66       2.25       0.04    -0.09     16
  15       F    -0.12    -1.73    15.31       2.25       0.03    -1.69     16
  16       F    -0.18    -2.79    15.32       2.25       0.03    -2.75     16
  17       F    -0.24    -3.69    15.32       2.25       0.03    -3.66     16
  18       F    -0.21    -3.32    15.31       2.25       0.03    -3.29     16
  19       C    -0.13    -0.95     8.62     -39.58      -0.34    -1.29     16
  20       C     0.03     0.20     9.52     -39.58      -0.38    -0.17     16
  21       C     0.48    14.21     7.42      36.01       0.27    14.47     16
  22       O    -0.67   -22.39    17.37     -26.63      -0.46   -22.85     16
  23       O    -0.69   -22.25    17.83     -20.23      -0.36   -22.61     16
  24       H     0.04     0.87     8.14     -51.93      -0.42     0.45     16
  25       H     0.08     1.13     8.14     -51.93      -0.42     0.70     16
  26       H     0.03     0.37     8.08     -51.93      -0.42    -0.05     16
  27       H     0.09     1.54     7.75     -51.93      -0.40     1.14     16
  28       H     0.09     1.30     8.08     -51.93      -0.42     0.88     16
  29       H     0.42     4.32     8.65     -34.47      -0.30     4.02     16
  30       H     0.19     1.16     7.62     -52.49      -0.40     0.76     16
  31       H     0.19     1.41     7.40     -52.49      -0.39     1.03     16
  32       H     0.19     1.05     7.40     -52.49      -0.39     0.66     16
  33       H     0.19     0.59     7.62     -52.49      -0.40     0.19     16
 Total:         -1.00   -42.91   328.95                 -3.82   -46.73