REAL300007980520.mol2 35                                                        
   1       C    -0.18    -1.95    14.61      29.01       0.42    -1.53     16
   2       C    -0.12    -1.63     6.20     -99.97      -0.62    -2.24     16
   3       C    -0.08    -1.32     6.32     -26.83      -0.17    -1.49     16
   4       C     0.08     1.59     3.36     -68.45      -0.23     1.36     16
   5       H     0.08     1.66     8.14     -51.93      -0.42     1.24     16
   6       C     0.48    12.49     6.66      36.00       0.24    12.73     16
   7       O    -0.68   -17.89    13.93     -20.23      -0.28   -18.17     16
   8       O    -0.67   -20.50    18.00     -20.23      -0.36   -20.86     16
   9       N    -0.98   -16.91     3.10    -108.06      -0.34   -17.25     16
  10       S     2.72    45.11     5.60    -107.50      -0.60    44.51     16
  11       O    -0.95   -14.96    16.69     -57.17      -0.95   -15.91     16
  12       O    -0.94   -18.14    16.87     -57.17      -0.96   -19.11     16
  13       C    -0.66   -10.16     5.13     -39.58      -0.20   -10.36     16
  14       C     0.10     1.67     6.98     -39.58      -0.28     1.40     16
  15       C    -0.13    -2.05     8.62     -39.58      -0.34    -2.39     16
  16       C     0.42     6.84     4.82     -39.58      -0.19     6.65     16
  17       F    -0.03    -0.68    16.66       2.25       0.04    -0.65     16
  18       F    -0.12    -2.37    15.31       2.25       0.03    -2.33     16
  19       F    -0.20    -3.91    15.31       2.25       0.03    -3.88     16
  20       F    -0.26    -4.99    15.31       2.25       0.03    -4.96     16
  21       F    -0.19    -4.05    15.31       2.25       0.03    -4.02     16
  22       C    -0.14    -1.87     8.62     -39.58      -0.34    -2.21     16
  23       C     0.03     0.37     9.52     -39.58      -0.38    -0.01     16
  24       C     0.15     2.10     6.91      -4.36      -0.03     2.07     16
  25       H     0.10     0.91     8.06     -52.48      -0.42     0.49     16
  26       H     0.11     1.01     8.06     -52.49      -0.42     0.59     16
  27       H     0.08     1.22     8.14     -51.93      -0.42     0.80     16
  28       H     0.09     1.61     7.76     -51.93      -0.40     1.21     16
  29       H     0.19     3.25     7.51     -52.49      -0.39     2.85     16
  30       H     0.18     2.77     7.40     -52.48      -0.39     2.38     16
  31       H     0.18     1.91     7.40     -52.49      -0.39     1.52     16
  32       H     0.18     1.53     7.62     -52.49      -0.40     1.13     16
  33       H     0.08     1.02     8.14     -51.93      -0.42     0.59     16
  34       H     0.08     0.97     7.89     -51.93      -0.41     0.56     16
 Total:         -1.00   -35.35   325.96                 -5.03   -40.38