REAL300008038292.mol2 36                                                        
   1       C    -0.15    -1.61     9.91      37.16       0.37    -1.24     16
   2       C    -0.13    -1.51     5.82     -26.73      -0.16    -1.66     16
   3       C    -0.11    -1.79     4.80     -26.73      -0.13    -1.92     16
   4       C     0.08     1.60     2.63     -69.08      -0.18     1.42     16
   5       H     0.07     1.28     7.21     -51.93      -0.37     0.91     16
   6       N    -1.07   -17.39     4.59      -5.88      -0.03   -17.42     16
   7       S     2.69    39.46     5.65    -107.50      -0.61    38.85     16
   8       O    -0.95   -14.31    17.28     -57.17      -0.99   -15.30     16
   9       O    -0.92   -17.81    17.05     -57.17      -0.97   -18.79     16
  10       C    -0.67    -6.81     5.82     -39.58      -0.23    -7.04     16
  11       C     0.04     0.34     8.88     -39.58      -0.35    -0.01     16
  12       C    -0.13    -1.21     8.62     -39.58      -0.34    -1.55     16
  13       C     0.41     4.37     4.82     -39.59      -0.19     4.18     16
  14       F    -0.01    -0.21    16.65       2.25       0.04    -0.17     16
  15       F    -0.12    -1.77    15.31       2.25       0.03    -1.73     16
  16       F    -0.18    -2.85    15.31       2.25       0.03    -2.82     16
  17       F    -0.24    -3.79    15.30       2.25       0.03    -3.75     16
  18       F    -0.22    -3.38    15.32       2.25       0.03    -3.35     16
  19       C    -0.13    -1.06     8.62     -39.59      -0.34    -1.40     16
  20       C     0.03     0.25     9.52     -39.58      -0.38    -0.13     16
  21       C     0.49    14.17     7.23      36.00       0.26    14.43     16
  22       O    -0.69   -22.56    18.00     -20.23      -0.36   -22.92     16
  23       O    -0.68   -21.83    17.59     -20.23      -0.36   -22.18     16
  24       H     0.05     0.47     8.14     -51.93      -0.42     0.05     16
  25       H     0.05     0.59     8.14     -51.93      -0.42     0.17     16
  26       H     0.05     0.56     8.14     -51.93      -0.42     0.14     16
  27       H     0.06     0.65     8.14     -51.93      -0.42     0.23     16
  28       H     0.06     0.60     7.75     -51.93      -0.40     0.20     16
  29       H     0.07     1.17     8.14     -51.93      -0.42     0.75     16
  30       H     0.08     1.34     8.14     -51.93      -0.42     0.92     16
  31       H     0.42     5.99     8.84     -34.47      -0.30     5.68     16
  32       H     0.19     1.76     7.62     -52.49      -0.40     1.36     16
  33       H     0.19     1.54     7.40     -52.49      -0.39     1.15     16
  34       H     0.19     1.15     7.40     -52.49      -0.39     0.77     16
  35       H     0.19     0.89     7.62     -52.49      -0.40     0.49     16
 Total:         -1.00   -41.70   337.42                 -4.92   -46.62