REAL300008363340.mol2 34                                                        
   1       O    -0.68   -17.73    14.98     -20.22      -0.30   -18.04     16
   2       C     0.49    12.23     5.23      36.01       0.19    12.42     16
   3       O    -0.69   -19.89    18.00     -20.23      -0.36   -20.25     16
   4       C    -0.18    -3.54     5.23     -27.88      -0.15    -3.69     16
   5       C     0.13     2.09     1.95    -131.82      -0.26     1.84     16
   6       N    -1.04   -16.38     3.92       0.54       0.00   -16.38     16
   7       S     2.71    40.88     5.73    -107.50      -0.62    40.26     16
   8       O    -0.96   -15.64    17.46     -57.17      -1.00   -16.63     16
   9       O    -0.95   -14.43    16.40     -57.17      -0.94   -15.36     16
  10       C    -0.67   -10.31     3.57     -39.58      -0.14   -10.45     16
  11       C     0.03     0.48     7.15     -39.58      -0.28     0.19     16
  12       C    -0.13    -1.99     8.62     -39.58      -0.34    -2.33     16
  13       C     0.44     7.99     4.82     -39.58      -0.19     7.80     16
  14       F    -0.16    -3.90    16.66       2.25       0.04    -3.87     16
  15       F    -0.13    -2.97    15.31       2.25       0.03    -2.93     16
  16       F    -0.20    -4.12    15.32       2.25       0.03    -4.09     16
  17       F    -0.20    -4.14    15.32       2.25       0.03    -4.11     16
  18       F    -0.14    -3.22    15.31       2.25       0.03    -3.18     16
  19       C    -0.12    -1.99     8.62     -39.59      -0.34    -2.33     16
  20       C     0.07     1.11     8.47     -39.59      -0.34     0.77     16
  21       C    -0.16    -2.14    10.10     -26.73      -0.27    -2.41     16
  22       C    -0.18    -2.34     9.69     -26.73      -0.26    -2.59     16
  23       H     0.08     1.45     7.92     -51.93      -0.41     1.04     16
  24       H     0.06     1.08     5.71     -51.93      -0.30     0.78     16
  25       H     0.42     6.37     8.77     -34.47      -0.30     6.07     16
  26       H     0.19     1.96     7.31     -52.49      -0.38     1.57     16
  27       H     0.19     2.41     7.40     -52.49      -0.39     2.02     16
  28       H     0.19     2.78     7.40     -52.48      -0.39     2.39     16
  29       H     0.19     2.51     7.77     -52.49      -0.41     2.10     16
  30       H     0.10     1.16     8.14     -51.93      -0.42     0.74     16
  31       H     0.10     1.27     8.06     -51.93      -0.42     0.85     16
  32       H     0.10     1.14     8.14     -51.93      -0.42     0.72     16
  33       H     0.10     1.23     8.14     -51.93      -0.42     0.80     16
 Total:         -1.00   -36.60   312.60                 -4.97   -41.57