REAL300017747118.mol2 35                                                        
   1       C     0.04     0.59    10.45     101.05       1.06     1.65     16
   2       O    -0.36    -6.90    10.38     -52.70      -0.55    -7.44     16
   3       C     0.01     0.27     1.26     -90.84      -0.11     0.15     16
   4       C     0.49    13.66     7.00      36.01       0.25    13.91     16
   5       O    -0.67   -21.17    16.53     -26.01      -0.43   -21.60     16
   6       O    -0.68   -20.63    17.17     -20.22      -0.35   -20.98     16
   7       C     0.16     2.67     8.33      -2.97      -0.02     2.64     16
   8       N    -1.03   -14.43     4.11    -118.68      -0.49   -14.92     16
   9       S     2.71    30.79     6.23    -107.50      -0.67    30.12     16
  10       O    -0.94   -12.21    17.25     -57.17      -0.99   -13.19     16
  11       O    -0.94   -12.19    17.26     -57.17      -0.99   -13.18     16
  12       C    -0.67    -5.50     5.97     -39.58      -0.24    -5.73     16
  13       C     0.04     0.28     9.52     -39.58      -0.38    -0.09     16
  14       C    -0.13    -0.98     8.62     -39.58      -0.34    -1.32     16
  15       C     0.42     4.14     4.82     -39.58      -0.19     3.94     16
  16       F    -0.13    -2.45    16.66       2.25       0.04    -2.41     16
  17       F    -0.16    -2.55    15.31       2.25       0.03    -2.51     16
  18       F    -0.17    -2.65    15.31       2.25       0.03    -2.62     16
  19       F    -0.18    -2.66    15.32       2.25       0.03    -2.63     16
  20       F    -0.16    -2.52    15.31       2.25       0.03    -2.48     16
  21       C    -0.13    -0.97     8.62     -39.58      -0.34    -1.31     16
  22       C     0.04     0.25     9.52     -39.59      -0.38    -0.13     16
  23       C     0.12     1.95     7.99      -2.97      -0.02     1.92     16
  24       H     0.08     1.11     8.14     -51.93      -0.42     0.69     16
  25       H     0.06     1.18     6.88     -51.93      -0.36     0.83     16
  26       H     0.03     0.35     6.65     -51.93      -0.35     0.01     16
  27       H     0.11     1.90     7.94     -51.93      -0.41     1.49     16
  28       H     0.09     1.16     8.14     -51.93      -0.42     0.74     16
  29       H     0.19     0.87     7.62     -52.49      -0.40     0.47     16
  30       H     0.19     1.17     7.40     -52.48      -0.39     0.78     16
  31       H     0.19     1.12     7.40     -52.49      -0.39     0.74     16
  32       H     0.19     0.83     7.62     -52.49      -0.40     0.43     16
  33       H     0.08     1.03     6.52     -51.93      -0.34     0.69     16
  34       H     0.11     1.93     7.67     -51.93      -0.40     1.53     16
 Total:         -1.00   -40.55   330.94                 -4.29   -44.83