REAL300017331901.mol2 39                                                        
   1       C    -0.15    -1.70     9.91      37.15       0.37    -1.33     16
   2       C    -0.12    -1.46     5.82     -26.73      -0.16    -1.62     16
   3       C    -0.12    -1.88     4.62     -26.73      -0.12    -2.01     16
   4       C     0.17     2.71     1.89     -67.93      -0.13     2.58     16
   5       H     0.09     1.38     6.79     -51.93      -0.35     1.02     16
   6       C    -0.20    -4.35     5.56     -27.89      -0.16    -4.51     16
   7       C     0.50    14.51     7.61      36.00       0.27    14.79     16
   8       O    -0.70   -21.12    15.21     -20.23      -0.31   -21.43     16
   9       O    -0.70   -23.65    18.00     -20.22      -0.36   -24.01     16
  10       N    -1.10   -12.16     4.92      -4.89      -0.02   -12.18     16
  11       S     2.69    28.32     5.64    -107.50      -0.61    27.71     16
  12       O    -0.95   -10.61    17.28     -57.17      -0.99   -11.60     16
  13       O    -0.93   -13.23    16.62     -57.17      -0.95   -14.18     16
  14       C    -0.67    -5.38     5.77     -39.58      -0.23    -5.61     16
  15       C     0.04     0.35     8.83     -39.58      -0.35     0.00     16
  16       C    -0.13    -1.09     8.62     -39.58      -0.34    -1.43     16
  17       C     0.42     4.21     4.82     -39.58      -0.19     4.02     16
  18       F    -0.13    -2.49    16.67       2.25       0.04    -2.46     16
  19       F    -0.17    -2.63    15.31       2.25       0.03    -2.59     16
  20       F    -0.17    -2.69    15.32       2.25       0.03    -2.66     16
  21       F    -0.18    -2.72    15.32       2.25       0.03    -2.68     16
  22       F    -0.15    -2.51    15.30       2.25       0.03    -2.48     16
  23       C    -0.13    -0.92     8.62     -39.58      -0.34    -1.26     16
  24       C     0.04     0.21     9.52     -39.58      -0.38    -0.17     16
  25       H     0.05     0.48     8.14     -51.93      -0.42     0.06     16
  26       H     0.06     0.72     8.14     -51.93      -0.42     0.30     16
  27       H     0.05     0.54     8.14     -51.93      -0.42     0.11     16
  28       H     0.06     0.73     8.14     -51.93      -0.42     0.31     16
  29       H     0.05     0.48     7.75     -51.93      -0.40     0.07     16
  30       H     0.06     0.80     8.14     -51.93      -0.42     0.38     16
  31       H     0.11     2.08     6.20     -51.93      -0.32     1.76     16
  32       H     0.07     1.58     7.68     -51.92      -0.40     1.18     16
  33       H     0.06     1.31     8.14     -51.93      -0.42     0.89     16
  34       H     0.42     3.51     8.85     -34.48      -0.31     3.20     16
  35       H     0.20     1.50     7.62     -52.49      -0.40     1.10     16
  36       H     0.20     1.49     7.40     -52.48      -0.39     1.11     16
  37       H     0.19     1.01     7.40     -52.49      -0.39     0.62     16
  38       H     0.19     0.51     7.62     -52.49      -0.40     0.11     16
 Total:         -1.00   -42.17   353.36                 -5.38   -47.56