REAL300007684424.mol2 36                                                        
   1       C    -0.15    -2.63     8.82      37.16       0.33    -2.30     16
   2       C    -0.07    -1.21     2.06     -90.62      -0.19    -1.40     16
   3       C     0.11     1.23     5.61      -4.05      -0.02     1.20     16
   4       N    -1.10    -9.61     5.53     -10.62      -0.06    -9.67     16
   5       S     2.70    21.11     5.74    -107.50      -0.62    20.49     16
   6       O    -0.95    -9.10    17.28     -57.17      -0.99   -10.09     16
   7       O    -0.94    -9.81    16.76     -57.17      -0.96   -10.77     16
   8       C    -0.67    -3.76     5.95     -39.58      -0.24    -4.00     16
   9       C     0.03     0.16     9.52     -39.59      -0.38    -0.21     16
  10       C    -0.13    -0.80     8.62     -39.58      -0.34    -1.14     16
  11       C     0.41     3.41     4.82     -39.58      -0.19     3.21     16
  12       F     0.00    -0.02    16.66       2.25       0.04     0.02     16
  13       F    -0.12    -1.55    15.32       2.25       0.03    -1.51     16
  14       F    -0.18    -2.48    15.31       2.25       0.03    -2.44     16
  15       F    -0.24    -3.35    15.31       2.25       0.03    -3.32     16
  16       F    -0.22    -3.07    15.32       2.25       0.03    -3.03     16
  17       C    -0.13    -0.74     8.62     -39.58      -0.34    -1.08     16
  18       C     0.03     0.15     9.52     -39.58      -0.38    -0.22     16
  19       C    -0.18    -3.98     5.25     -27.88      -0.15    -4.12     16
  20       C     0.49    15.07     7.77      36.01       0.28    15.35     16
  21       O    -0.69   -22.45    14.86     -20.23      -0.30   -22.75     16
  22       O    -0.70   -24.63    18.00     -20.23      -0.36   -25.00     16
  23       H     0.04     0.56     7.54     -51.93      -0.39     0.17     16
  24       H     0.09     2.01     5.94     -51.93      -0.31     1.70     16
  25       H     0.04     0.69     8.14     -51.93      -0.42     0.27     16
  26       H     0.08     1.44     7.95     -51.93      -0.41     1.03     16
  27       H     0.08     0.85     7.75     -51.93      -0.40     0.45     16
  28       H     0.06     0.57     8.14     -51.93      -0.42     0.15     16
  29       H     0.43     3.36     8.37     -34.47      -0.29     3.07     16
  30       H     0.19     0.54     7.62     -52.48      -0.40     0.14     16
  31       H     0.19     0.98     7.40     -52.49      -0.39     0.59     16
  32       H     0.19     0.82     7.40     -52.49      -0.39     0.43     16
  33       H     0.19     0.34     7.62     -52.49      -0.40    -0.06     16
  34       H     0.06     1.19     8.14     -51.93      -0.42     0.76     16
  35       H     0.06     1.27     8.14     -51.93      -0.42     0.84     16
 Total:         -1.00   -43.46   332.80                 -4.78   -48.24