REAL300007637583.mol2 36                                                        
   1       C    -0.13    -2.31     7.80      37.16       0.29    -2.02     16
   2       C    -0.18    -3.73     3.01     -91.77      -0.28    -4.01     16
   3       C     0.13     2.33     4.52      -4.04      -0.02     2.31     16
   4       N    -0.99   -13.34     3.08    -121.76      -0.38   -13.71     16
   5       C     0.08     0.91     9.18      59.85       0.55     1.46     16
   6       S     2.69    34.83     5.66    -107.50      -0.61    34.22     16
   7       O    -0.94   -13.10    16.46     -57.17      -0.94   -14.04     16
   8       O    -0.93   -14.15    15.85     -57.17      -0.91   -15.06     16
   9       C    -0.63    -6.89     5.97     -39.59      -0.24    -7.13     16
  10       C     0.00     0.01     8.25     -39.58      -0.33    -0.31     16
  11       C    -0.08    -0.55    10.05     -39.58      -0.40    -0.95     16
  12       C    -0.06    -0.52     8.62     -39.58      -0.34    -0.86     16
  13       C     0.34     3.98     4.82     -39.58      -0.19     3.79     16
  14       F    -0.01    -0.15    16.66       2.25       0.04    -0.11     16
  15       F    -0.24    -3.72    15.32       2.25       0.03    -3.69     16
  16       F    -0.23    -3.81    15.30       2.25       0.03    -3.78     16
  17       F    -0.17    -2.82    15.31       2.25       0.03    -2.79     16
  18       F    -0.12    -1.87    15.32       2.25       0.03    -1.83     16
  19       C    -0.01    -0.16     8.10     -39.58      -0.32    -0.48     16
  20       C     0.50    14.47     7.39      36.00       0.27    14.74     16
  21       O    -0.69   -22.67    17.73     -20.23      -0.36   -23.02     16
  22       O    -0.69   -22.02    16.82     -20.23      -0.34   -22.36     16
  23       H     0.04     0.61     6.19     -51.93      -0.32     0.29     16
  24       H     0.06     1.16     7.95     -51.93      -0.41     0.75     16
  25       H     0.05     0.88     8.03     -51.93      -0.42     0.47     16
  26       H     0.06     1.05     6.82     -51.93      -0.35     0.70     16
  27       H     0.09     1.63     8.10     -51.93      -0.42     1.21     16
  28       H     0.10     1.91     6.76     -51.93      -0.35     1.56     16
  29       H     0.06     0.62     8.14     -51.93      -0.42     0.20     16
  30       H     0.07     0.60     7.98     -51.93      -0.41     0.19     16
  31       H     0.09     0.94     5.77     -51.93      -0.30     0.64     16
  32       H     0.18     1.61     7.62     -52.49      -0.40     1.21     16
  33       H     0.19     0.64     8.06     -52.49      -0.42     0.22     16
  34       H     0.19     1.29     7.40     -52.49      -0.39     0.90     16
  35       H     0.19     1.96     6.96     -52.49      -0.37     1.60     16
 Total:         -1.00   -40.39   327.00                 -4.42   -44.81