REAL300017273150.mol2 35                                                        
   1       C     0.09     1.21     9.81      59.85       0.59     1.80     16
   2       N    -0.94   -16.71     2.84    -115.78      -0.33   -17.04     16
   3       C     0.04     0.85     0.94    -131.90      -0.12     0.73     16
   4       C     0.50    14.61     7.37      36.00       0.27    14.88     16
   5       O    -0.67   -21.55    17.54     -20.23      -0.35   -21.90     16
   6       O    -0.68   -21.76    17.18     -20.23      -0.35   -22.11     16
   7       C     0.03     0.62     7.56      37.61       0.28     0.90     16
   8       O    -0.39    -7.20    12.45     -35.23      -0.44    -7.64     16
   9       C     0.05     0.98     8.30      37.61       0.31     1.29     16
  10       S     2.69    43.85     5.10    -107.50      -0.55    43.30     16
  11       O    -0.92   -18.49    14.25     -57.17      -0.81   -19.31     16
  12       O    -0.94   -15.11    16.09     -57.17      -0.92   -16.03     16
  13       C    -0.63    -7.22     5.91     -39.58      -0.23    -7.46     16
  14       C    -0.01    -0.04     9.52     -39.58      -0.38    -0.42     16
  15       C    -0.08    -0.35    10.05     -39.58      -0.40    -0.75     16
  16       C    -0.06    -0.47     8.62     -39.58      -0.34    -0.81     16
  17       C     0.36     4.48     4.82     -39.58      -0.19     4.29     16
  18       F    -0.14    -2.84    16.67       2.25       0.04    -2.80     16
  19       F    -0.19    -3.17    15.31       2.25       0.03    -3.14     16
  20       F    -0.13    -2.53    15.31       2.25       0.03    -2.50     16
  21       F    -0.18    -3.10    15.31       2.25       0.03    -3.06     16
  22       F    -0.16    -3.07    15.31       2.25       0.03    -3.04     16
  23       C    -0.01    -0.18     7.22     -39.58      -0.29    -0.46     16
  24       H     0.05     0.46     8.14     -51.93      -0.42     0.03     16
  25       H     0.08     1.04     7.02     -51.93      -0.36     0.68     16
  26       H     0.09     1.36     8.07     -51.93      -0.42     0.94     16
  27       H     0.11     2.42     7.94     -51.93      -0.41     2.01     16
  28       H     0.09     1.69     2.09     -51.93      -0.11     1.58     16
  29       H     0.09     1.28     7.48     -51.93      -0.39     0.89     16
  30       H     0.10     1.99     7.69     -51.93      -0.40     1.59     16
  31       H     0.18     0.66     7.80     -52.49      -0.41     0.25     16
  32       H     0.19    -0.11     8.06     -52.49      -0.42    -0.53     16
  33       H     0.19     1.04     7.40     -52.49      -0.39     0.66     16
  34       H     0.20     2.85     5.15     -52.48      -0.27     2.58     16
 Total:         -1.00   -42.50   320.32                 -3.26   -45.76