REAL300007715254.mol2 36                                                        
   1       C    -0.17    -1.92     8.89      37.16       0.33    -1.59     16
   2       C     0.16     2.59     2.42     -67.93      -0.16     2.42     16
   3       N    -1.09   -16.53     5.08      -4.89      -0.02   -16.55     16
   4       S     2.69    37.14     5.72    -107.50      -0.61    36.52     16
   5       O    -0.95   -14.23    17.28     -57.17      -0.99   -15.22     16
   6       O    -0.92   -16.55    16.63     -57.17      -0.95   -17.50     16
   7       C    -0.67    -5.93     4.89     -39.58      -0.19    -6.13     16
   8       C     0.03     0.26     8.76     -39.58      -0.35    -0.08     16
   9       C    -0.13    -1.01     8.62     -39.58      -0.34    -1.35     16
  10       C     0.41     3.89     4.82     -39.58      -0.19     3.69     16
  11       F    -0.01    -0.14    16.66       2.25       0.04    -0.10     16
  12       F    -0.12    -1.65    15.31       2.25       0.03    -1.62     16
  13       F    -0.18    -2.64    15.31       2.25       0.03    -2.60     16
  14       F    -0.24    -3.52    15.31       2.25       0.03    -3.49     16
  15       F    -0.22    -3.24    15.31       2.25       0.03    -3.20     16
  16       C    -0.13    -0.93     8.62     -39.58      -0.34    -1.27     16
  17       C     0.03     0.22     9.52     -39.58      -0.38    -0.15     16
  18       C    -0.16    -3.46     2.46     -91.77      -0.23    -3.69     16
  19       C    -0.13    -2.29     8.73      37.15       0.32    -1.96     16
  20       C     0.50    14.85     6.46      36.01       0.23    15.09     16
  21       O    -0.70   -23.63    17.98     -20.22      -0.36   -24.00     16
  22       O    -0.69   -22.75    17.65     -20.23      -0.36   -23.10     16
  23       H     0.07     0.76     6.87     -51.93      -0.36     0.40     16
  24       H     0.06     0.68     8.13     -51.93      -0.42     0.26     16
  25       H     0.04     0.39     6.18     -51.93      -0.32     0.06     16
  26       H     0.10     1.64     7.42     -51.93      -0.39     1.26     16
  27       H     0.42     6.13     8.84     -34.47      -0.30     5.83     16
  28       H     0.19     1.23     7.62     -52.49      -0.40     0.83     16
  29       H     0.19     1.23     7.40     -52.49      -0.39     0.84     16
  30       H     0.19     1.02     7.40     -52.48      -0.39     0.63     16
  31       H     0.19     0.78     7.62     -52.49      -0.40     0.38     16
  32       H     0.07     1.37     8.12     -51.93      -0.42     0.95     16
  33       H     0.05     0.96     8.14     -51.93      -0.42     0.54     16
  34       H     0.04     0.62     6.59     -51.93      -0.34     0.28     16
  35       H     0.06     1.13     8.08     -51.93      -0.42     0.71     16
 Total:         -1.00   -43.53   330.85                 -4.40   -47.93