REAL300007606095.mol2 36                                                        
   1       C    -0.15    -2.72     8.97      37.16       0.33    -2.38     16
   2       C    -0.12    -2.16     3.60     -26.74      -0.10    -2.26     16
   3       C     0.10     1.85     0.90    -132.97      -0.12     1.73     16
   4       C    -0.15    -2.50     7.92      37.16       0.29    -2.21     16
   5       N    -1.07   -17.64     5.39      -0.40       0.00   -17.64     16
   6       S     2.69    34.91     5.41    -107.50      -0.58    34.33     16
   7       O    -0.94   -13.71    13.63     -57.17      -0.78   -14.49     16
   8       O    -0.95   -13.61    17.51     -57.17      -1.00   -14.61     16
   9       C    -0.67    -6.23     4.14     -39.58      -0.16    -6.39     16
  10       C     0.04     0.28     9.52     -39.58      -0.38    -0.09     16
  11       C    -0.13    -1.03     8.62     -39.58      -0.34    -1.37     16
  12       C     0.42     4.30     4.82     -39.59      -0.19     4.10     16
  13       F    -0.13    -2.54    16.66       2.25       0.04    -2.50     16
  14       F    -0.16    -2.57    15.31       2.25       0.03    -2.53     16
  15       F    -0.18    -2.71    15.32       2.25       0.03    -2.68     16
  16       F    -0.17    -2.70    15.32       2.25       0.03    -2.66     16
  17       F    -0.16    -2.61    15.31       2.25       0.03    -2.58     16
  18       C    -0.13    -1.07     8.62     -39.58      -0.34    -1.41     16
  19       C     0.04     0.29     7.21     -39.58      -0.29     0.01     16
  20       C     0.51    13.79     6.52      36.01       0.23    14.03     16
  21       O    -0.67   -19.87    14.85     -20.23      -0.30   -20.18     16
  22       O    -0.68   -20.59    16.73     -20.22      -0.34   -20.93     16
  23       H     0.05     0.84     6.68     -51.93      -0.35     0.49     16
  24       H     0.09     1.98     5.75     -51.93      -0.30     1.68     16
  25       H     0.04     0.61     8.14     -51.93      -0.42     0.19     16
  26       H     0.06     0.76     4.15     -51.93      -0.22     0.54     16
  27       H     0.08     1.46     7.75     -51.93      -0.40     1.06     16
  28       H     0.03     0.41     4.33     -51.93      -0.22     0.19     16
  29       H     0.06     0.93     8.14     -51.93      -0.42     0.50     16
  30       H     0.08     1.49     6.51     -51.93      -0.34     1.15     16
  31       H     0.43     7.36     7.86     -34.47      -0.27     7.09     16
  32       H     0.19     0.91     7.81     -52.49      -0.41     0.50     16
  33       H     0.19     1.20     7.40     -52.48      -0.39     0.81     16
  34       H     0.19     1.28     7.40     -52.49      -0.39     0.89     16
  35       H     0.20     1.26     6.02     -52.49      -0.32     0.95     16
 Total:         -1.00   -38.33   310.22                 -3.65   -41.98