REAL300017933277.mol2 31                                                        
   1       O    -0.69   -23.42    17.12     -20.61      -0.35   -23.77     16
   2       C     0.50    15.76     7.99      34.15       0.27    16.04     16
   3       O    -0.69   -24.21    18.01     -20.60      -0.37   -24.58     16
   4       C    -0.16    -3.68     9.72     -37.91      -0.37    -4.05     16
   5       C    -0.17    -3.06     9.24     -36.05      -0.33    -3.40     16
   6       C     0.14     1.55     6.67      -5.19      -0.03     1.52     16
   7       N    -1.10    -9.34     5.99     -11.66      -0.07    -9.41     16
   8       S     2.70    19.32     5.74    -107.50      -0.62    18.70     16
   9       O    -0.94    -8.62    17.28     -57.17      -0.99    -9.61     16
  10       O    -0.94    -8.95    16.76     -57.17      -0.96    -9.91     16
  11       C    -0.67    -3.25     5.95     -39.58      -0.24    -3.49     16
  12       C     0.04     0.14     9.52     -39.58      -0.38    -0.23     16
  13       C    -0.13    -0.68     8.62     -39.58      -0.34    -1.02     16
  14       C     0.41     3.22     4.82     -39.58      -0.19     3.03     16
  15       F    -0.12    -2.12    16.65       2.25       0.04    -2.08     16
  16       F    -0.16    -2.28    15.30       2.25       0.03    -2.25     16
  17       F    -0.17    -2.35    15.32       2.25       0.03    -2.31     16
  18       F    -0.17    -2.30    15.31       2.25       0.03    -2.26     16
  19       F    -0.16    -2.31    15.32       2.25       0.03    -2.28     16
  20       C    -0.13    -0.67     8.62     -39.59      -0.34    -1.01     16
  21       C     0.04     0.15     9.52     -39.59      -0.38    -0.22     16
  22       H     0.10     1.95     7.88     -52.49      -0.41     1.53     16
  23       H     0.13     2.50     7.49     -52.49      -0.39     2.10     16
  24       H     0.09     0.80     7.75     -51.93      -0.40     0.40     16
  25       H     0.07     0.57     7.82     -51.93      -0.41     0.16     16
  26       H     0.43     3.48     8.64     -34.47      -0.30     3.18     16
  27       H     0.19     0.29     7.62     -52.49      -0.40    -0.11     16
  28       H     0.19     0.79     7.40     -52.49      -0.39     0.40     16
  29       H     0.19     0.76     7.40     -52.49      -0.39     0.37     16
  30       H     0.19     0.24     7.62     -52.49      -0.40    -0.16     16
 Total:         -1.00   -45.71   309.08                 -4.34   -50.05