REAL300008189448.mol2 35                                                        
   1       O    -0.65   -20.65    15.12     -28.06      -0.42   -21.08     16
   2       C     0.49    14.19     5.35      36.01       0.19    14.38     16
   3       O    -0.69   -22.30    18.00     -20.23      -0.36   -22.67     16
   4       C     0.10     2.16     3.63     -67.45      -0.24     1.92     16
   5       H     0.08     1.50     8.14     -51.93      -0.42     1.07     16
   6       C    -0.13    -2.43     6.37     -89.22      -0.57    -3.00     16
   7       H     0.12     1.94     8.14     -51.93      -0.42     1.51     16
   8       C    -0.14    -2.37    10.07     -24.50      -0.25    -2.62     16
   9       C    -0.20    -2.89     7.25     -86.99      -0.63    -3.52     16
  10       H     0.12     1.38     8.14     -51.93      -0.42     0.95     16
  11       C     0.15     2.13     7.40      -0.66       0.00     2.12     16
  12       N    -0.99   -18.22     3.34    -102.14      -0.34   -18.56     16
  13       S     2.69    50.25     5.80    -107.50      -0.62    49.63     16
  14       O    -0.95   -18.43    16.92     -57.17      -0.97   -19.40     16
  15       O    -0.86   -20.47    12.64     -67.24      -0.85   -21.32     16
  16       C    -0.64    -8.55     5.97     -39.58      -0.24    -8.79     16
  17       C     0.01     0.05     9.52     -39.58      -0.38    -0.32     16
  18       C    -0.08    -0.60    10.05     -39.58      -0.40    -1.00     16
  19       C    -0.06    -0.52     8.62     -39.59      -0.34    -0.86     16
  20       C     0.30     3.68     4.82     -39.58      -0.19     3.49     16
  21       F    -0.11    -2.15    16.66       2.25       0.04    -2.11     16
  22       F    -0.12    -1.85    15.31       2.25       0.03    -1.82     16
  23       F    -0.27    -5.02    15.31       2.25       0.03    -4.99     16
  24       F    -0.19    -3.14    15.32       2.25       0.03    -3.11     16
  25       F    -0.05    -0.85    15.31       2.25       0.03    -0.81     16
  26       C    -0.01    -0.14     8.11     -39.58      -0.32    -0.46     16
  27       H     0.10     1.40     8.14     -51.93      -0.42     0.98     16
  28       H     0.10     2.10     8.04     -51.93      -0.42     1.68     16
  29       H     0.07     0.87     8.14     -51.93      -0.42     0.45     16
  30       H     0.09     1.17     8.10     -51.93      -0.42     0.75     16
  31       H     0.18     2.08     7.80     -52.49      -0.41     1.67     16
  32       H     0.18     0.52     8.06     -52.49      -0.42     0.10     16
  33       H     0.18     1.15     7.40     -52.49      -0.39     0.76     16
  34       H     0.19     2.47     6.81     -52.49      -0.36     2.11     16
 Total:         -1.00   -41.57   323.79                 -6.41   -47.98