REAL300017307153.mol2 35                                                        
   1       O    -0.67   -22.52    17.40     -26.62      -0.46   -22.99     16
   2       C     0.51    15.09     7.46      36.00       0.27    15.36     16
   3       O    -0.69   -21.94    17.88     -20.23      -0.36   -22.30     16
   4       C     0.01     0.23     3.27     -27.73      -0.09     0.14     16
   5       H     0.06     1.07     8.14     -51.92      -0.42     0.65     16
   6       C     0.11     1.82     5.76      -3.53      -0.02     1.80     16
   7       N    -0.99   -12.16     3.34    -113.06      -0.38   -12.54     16
   8       S     2.69    27.47     5.70    -107.50      -0.61    26.86     16
   9       O    -0.94   -10.08    16.08     -57.17      -0.92   -11.00     16
  10       O    -0.93   -11.94    16.09     -57.17      -0.92   -12.86     16
  11       C    -0.68    -5.13     5.97     -39.58      -0.24    -5.37     16
  12       C     0.04     0.32     9.52     -39.58      -0.38    -0.06     16
  13       C    -0.13    -1.01     8.62     -39.59      -0.34    -1.35     16
  14       C     0.41     4.03     4.82     -39.58      -0.19     3.84     16
  15       F    -0.13    -2.49    16.66       2.25       0.04    -2.46     16
  16       F    -0.17    -2.56    15.31       2.25       0.03    -2.52     16
  17       F    -0.17    -2.56    15.32       2.25       0.03    -2.53     16
  18       F    -0.17    -2.57    15.32       2.25       0.03    -2.53     16
  19       F    -0.15    -2.47    15.31       2.25       0.03    -2.44     16
  20       C    -0.13    -0.87     8.62     -39.58      -0.34    -1.21     16
  21       C     0.04     0.19     9.52     -39.58      -0.38    -0.18     16
  22       C     0.08     0.89     6.57      -3.53      -0.02     0.86     16
  23       C     0.04     0.47     6.98      37.31       0.26     0.73     16
  24       O    -0.34    -6.99     9.92     -55.05      -0.55    -7.53     16
  25       H     0.09     1.59     8.13     -51.93      -0.42     1.17     16
  26       H     0.10     1.67     7.25     -51.93      -0.38     1.30     16
  27       H     0.20     1.16     7.62     -52.49      -0.40     0.76     16
  28       H     0.19     1.33     7.40     -52.48      -0.39     0.95     16
  29       H     0.19     0.96     7.40     -52.49      -0.39     0.57     16
  30       H     0.19     0.45     7.62     -52.48      -0.40     0.05     16
  31       H     0.09     0.93     8.14     -51.93      -0.42     0.51     16
  32       H     0.09     0.63     7.25     -51.93      -0.38     0.26     16
  33       H     0.10     1.05     8.14     -51.93      -0.42     0.63     16
  34       H     0.05     0.50     8.14     -51.93      -0.42     0.08     16
 Total:         -1.00   -43.43   326.69                 -5.01   -48.44