REAL300007606094.mol2 36                                                        
   1       C    -0.15    -2.61     9.06      37.16       0.34    -2.27     16
   2       C    -0.12    -2.11     5.04     -26.73      -0.13    -2.25     16
   3       C     0.10     1.95     0.91    -132.97      -0.12     1.83     16
   4       C    -0.15    -2.74     6.37      37.16       0.24    -2.50     16
   5       N    -1.07   -19.49     5.44      -0.40       0.00   -19.49     16
   6       S     2.69    39.89     5.40    -107.50      -0.58    39.31     16
   7       O    -0.95   -16.02    17.48     -57.17      -1.00   -17.02     16
   8       O    -0.94   -14.55    13.55     -57.17      -0.77   -15.33     16
   9       C    -0.63    -7.10     4.12     -39.58      -0.16    -7.27     16
  10       C    -0.01    -0.05     7.31     -39.58      -0.29    -0.34     16
  11       C    -0.08    -0.45    10.05     -39.58      -0.40    -0.84     16
  12       C    -0.06    -0.47     8.62     -39.59      -0.34    -0.81     16
  13       C     0.34     4.04     4.82     -39.58      -0.19     3.85     16
  14       F    -0.01    -0.20    16.65       2.25       0.04    -0.16     16
  15       F    -0.25    -4.07    15.31       2.25       0.03    -4.04     16
  16       F    -0.20    -3.57    15.31       2.25       0.03    -3.54     16
  17       F    -0.12    -1.92    15.31       2.25       0.03    -1.89     16
  18       F    -0.17    -2.98    15.32       2.25       0.03    -2.95     16
  19       C    -0.01    -0.14     8.10     -39.58      -0.32    -0.46     16
  20       C     0.51    14.25     6.65      36.01       0.24    14.49     16
  21       O    -0.67   -20.28    14.90     -20.23      -0.30   -20.58     16
  22       O    -0.68   -21.25    16.67     -20.23      -0.34   -21.59     16
  23       H     0.04     0.55     8.14     -51.93      -0.42     0.13     16
  24       H     0.05     0.82     6.62     -51.93      -0.34     0.48     16
  25       H     0.09     1.99     5.79     -51.93      -0.30     1.69     16
  26       H     0.04     0.53     4.37     -51.93      -0.23     0.30     16
  27       H     0.06     1.19     8.14     -51.93      -0.42     0.76     16
  28       H     0.05     0.62     4.12     -51.93      -0.21     0.40     16
  29       H     0.07     1.38     7.46     -51.93      -0.39     0.99     16
  30       H     0.08     1.51     6.50     -51.93      -0.34     1.17     16
  31       H     0.43     8.26     7.76     -34.47      -0.27     7.99     16
  32       H     0.18     1.16     5.87     -52.49      -0.31     0.86     16
  33       H     0.18     0.16     8.06     -52.49      -0.42    -0.26     16
  34       H     0.18     1.07     7.40     -52.49      -0.39     0.68     16
  35       H     0.19     2.35     7.13     -52.49      -0.37     1.98     16
 Total:         -1.00   -38.30   309.74                 -3.72   -42.01