REAL300008000313.mol2 34                                                        
   1       O    -0.69   -23.40    18.00     -20.23      -0.36   -23.76     16
   2       C     0.52    15.23     7.38      36.00       0.27    15.50     16
   3       O    -0.69   -20.85    15.27     -20.23      -0.31   -21.16     16
   4       C    -0.20    -4.46     6.27     -91.77      -0.58    -5.04     16
   5       H     0.10     2.04     8.14     -51.93      -0.42     1.61     16
   6       C    -0.16    -2.84     9.71     -26.69      -0.26    -3.10     16
   7       C    -0.15    -2.50     5.83     -90.58      -0.53    -3.03     16
   8       H     0.10     1.38     8.14     -51.93      -0.42     0.96     16
   9       C     0.15     2.31     4.95      -4.04      -0.02     2.29     16
  10       N    -1.11   -11.40     6.00     -10.61      -0.06   -11.47     16
  11       S     2.70    26.52     5.74    -107.50      -0.62    25.90     16
  12       O    -0.95    -9.95    17.28     -57.17      -0.99   -10.94     16
  13       O    -0.93   -12.39    16.76     -57.17      -0.96   -13.35     16
  14       C    -0.68    -5.47     5.95     -39.58      -0.24    -5.71     16
  15       C     0.05     0.42     9.52     -39.58      -0.38     0.04     16
  16       C    -0.13    -1.19     8.62     -39.58      -0.34    -1.53     16
  17       C     0.42     4.55     4.82     -39.58      -0.19     4.36     16
  18       F    -0.13    -2.63    16.66       2.25       0.04    -2.59     16
  19       F    -0.17    -2.82    15.31       2.25       0.03    -2.79     16
  20       F    -0.17    -2.79    15.31       2.25       0.03    -2.76     16
  21       F    -0.18    -2.83    15.31       2.25       0.03    -2.79     16
  22       F    -0.15    -2.58    15.32       2.25       0.03    -2.55     16
  23       C    -0.13    -1.00     8.62     -39.58      -0.34    -1.34     16
  24       C     0.04     0.21     9.52     -39.58      -0.38    -0.16     16
  25       H     0.10     1.84     7.84     -51.93      -0.41     1.43     16
  26       H     0.08     1.21     8.14     -51.93      -0.42     0.79     16
  27       H     0.09     1.56     7.62     -51.93      -0.40     1.16     16
  28       H     0.09     1.46     6.91     -51.93      -0.36     1.11     16
  29       H     0.42     3.22     8.65     -34.47      -0.30     2.92     16
  30       H     0.20     1.57     7.62     -52.49      -0.40     1.17     16
  31       H     0.20     1.70     7.40     -52.48      -0.39     1.31     16
  32       H     0.19     1.09     7.40     -52.49      -0.39     0.71     16
  33       H     0.19     0.52     7.62     -52.49      -0.40     0.12     16
 Total:         -1.00   -42.27   323.62                 -5.53   -47.80