REAL300008000312.mol2 34                                                        
   1       O    -0.69   -23.28    18.00     -20.23      -0.36   -23.64     16
   2       C     0.52    15.21     7.38      36.00       0.27    15.47     16
   3       O    -0.69   -20.67    15.27     -20.23      -0.31   -20.98     16
   4       C    -0.20    -4.51     6.27     -91.77      -0.58    -5.09     16
   5       H     0.10     2.06     8.14     -51.93      -0.42     1.63     16
   6       C    -0.16    -2.91     9.71     -26.69      -0.26    -3.17     16
   7       C    -0.15    -2.59     5.83     -90.58      -0.53    -3.12     16
   8       H     0.10     1.45     8.14     -51.93      -0.42     1.03     16
   9       C     0.15     2.43     4.95      -4.04      -0.02     2.41     16
  10       N    -1.11   -12.97     6.00     -10.61      -0.06   -13.03     16
  11       S     2.70    31.14     5.74    -107.50      -0.62    30.52     16
  12       O    -0.95   -12.25    17.28     -57.17      -0.99   -13.24     16
  13       O    -0.93   -13.17    16.76     -57.17      -0.96   -14.12     16
  14       C    -0.63    -6.32     5.95     -39.58      -0.24    -6.56     16
  15       C     0.01     0.04     9.52     -39.58      -0.38    -0.33     16
  16       C    -0.08    -0.51    10.05     -39.58      -0.40    -0.91     16
  17       C    -0.06    -0.49     8.62     -39.58      -0.34    -0.83     16
  18       C     0.34     3.87     4.82     -39.58      -0.19     3.68     16
  19       F    -0.01    -0.16    16.66       2.25       0.04    -0.13     16
  20       F    -0.19    -2.93    15.32       2.25       0.03    -2.90     16
  21       F    -0.12    -1.85    15.30       2.25       0.03    -1.82     16
  22       F    -0.22    -3.60    15.31       2.25       0.03    -3.56     16
  23       F    -0.23    -3.82    15.32       2.25       0.03    -3.79     16
  24       C    -0.01    -0.14     8.10     -39.58      -0.32    -0.46     16
  25       H     0.10     1.88     7.84     -51.93      -0.41     1.48     16
  26       H     0.08     1.26     8.14     -51.93      -0.42     0.83     16
  27       H     0.09     1.59     7.62     -51.93      -0.40     1.20     16
  28       H     0.09     1.51     6.91     -51.93      -0.36     1.15     16
  29       H     0.42     3.90     8.65     -34.47      -0.30     3.60     16
  30       H     0.19     1.46     7.62     -52.49      -0.40     1.06     16
  31       H     0.19     0.56     8.06     -52.49      -0.42     0.14     16
  32       H     0.19     1.22     7.40     -52.49      -0.39     0.84     16
  33       H     0.19     1.89     6.96     -52.49      -0.37     1.52     16
 Total:         -1.00   -40.69   323.62                 -5.53   -46.22