REAL300007675038.mol2 37                                                        
   1       C    -0.22    -3.29    14.32      29.01       0.42    -2.87     16
   2       C    -0.11    -1.98     7.90     -36.03      -0.28    -2.26     16
   3       C    -0.06    -0.92     2.70     -91.77      -0.25    -1.17     16
   4       C    -0.14    -2.24     8.74      37.16       0.32    -1.92     16
   5       C     0.08     1.58     2.50     -69.08      -0.17     1.41     16
   6       N    -1.07   -17.03     4.95      -5.88      -0.03   -17.06     16
   7       S     2.69    38.35     5.65    -107.50      -0.61    37.74     16
   8       O    -0.95   -13.94    17.28     -57.17      -0.99   -14.92     16
   9       O    -0.92   -17.22    17.05     -57.17      -0.97   -18.19     16
  10       C    -0.67    -6.49     5.82     -39.58      -0.23    -6.72     16
  11       C     0.04     0.34     8.88     -39.59      -0.35    -0.01     16
  12       C    -0.13    -1.13     8.62     -39.58      -0.34    -1.47     16
  13       C     0.42     4.31     4.82     -39.58      -0.19     4.12     16
  14       F    -0.13    -2.53    16.65       2.25       0.04    -2.49     16
  15       F    -0.17    -2.70    15.31       2.25       0.03    -2.67     16
  16       F    -0.17    -2.63    15.31       2.25       0.03    -2.59     16
  17       F    -0.17    -2.69    15.30       2.25       0.03    -2.66     16
  18       F    -0.16    -2.57    15.32       2.25       0.03    -2.54     16
  19       C    -0.13    -1.01     8.62     -39.58      -0.34    -1.35     16
  20       C     0.04     0.25     9.52     -39.58      -0.38    -0.12     16
  21       C     0.50    13.53     5.95      36.01       0.21    13.74     16
  22       O    -0.69   -20.89    15.76     -20.23      -0.32   -21.21     16
  23       O    -0.67   -20.69    17.36     -20.23      -0.35   -21.05     16
  24       H     0.09     1.27     8.06     -52.48      -0.42     0.85     16
  25       H     0.08     1.09     7.83     -52.49      -0.41     0.68     16
  26       H     0.13     2.79     6.47     -52.49      -0.34     2.45     16
  27       H     0.07     0.87     7.78     -51.93      -0.40     0.46     16
  28       H     0.05     0.70     8.14     -51.93      -0.42     0.27     16
  29       H     0.07     1.39     7.22     -51.93      -0.37     1.02     16
  30       H     0.05     0.74     6.51     -51.93      -0.34     0.41     16
  31       H     0.07     1.27     7.21     -51.93      -0.37     0.89     16
  32       H     0.42     5.85     7.03     -34.47      -0.24     5.61     16
  33       H     0.20     1.62     7.62     -52.49      -0.40     1.22     16
  34       H     0.19     1.43     7.40     -52.49      -0.39     1.04     16
  35       H     0.19     1.11     7.40     -52.49      -0.39     0.73     16
  36       H     0.19     0.79     7.62     -52.49      -0.40     0.39     16
 Total:         -1.00   -40.65   340.64                 -4.45   -45.10