REAL300010903542.mol2 36                                                        
   1       C    -0.15    -2.84     9.65      37.16       0.36    -2.49     16
   2       C    -0.09    -1.69     5.05     -26.73      -0.13    -1.82     16
   3       C    -0.17    -3.50     2.43     -91.78      -0.22    -3.72     16
   4       C     0.14     2.23     5.60      -4.04      -0.02     2.21     16
   5       N    -1.09   -16.96     5.77     -10.61      -0.06   -17.03     16
   6       S     2.69    33.22     5.74    -107.50      -0.62    32.61     16
   7       O    -0.95   -13.52    17.28     -57.17      -0.99   -14.51     16
   8       O    -0.95   -12.64    16.76     -57.17      -0.96   -13.60     16
   9       C    -0.67    -6.52     5.95     -39.58      -0.24    -6.75     16
  10       C     0.03     0.25     9.52     -39.58      -0.38    -0.13     16
  11       C    -0.13    -1.16     8.62     -39.59      -0.34    -1.51     16
  12       C     0.41     4.59     4.82     -39.58      -0.19     4.40     16
  13       F    -0.01    -0.19    16.66       2.25       0.04    -0.16     16
  14       F    -0.22    -3.76    15.31       2.25       0.03    -3.72     16
  15       F    -0.23    -3.68    15.32       2.25       0.03    -3.65     16
  16       F    -0.12    -1.86    15.32       2.25       0.03    -1.82     16
  17       F    -0.17    -2.85    15.31       2.25       0.03    -2.82     16
  18       C    -0.13    -1.20     8.62     -39.58      -0.34    -1.54     16
  19       C     0.04     0.35     9.52     -39.58      -0.38    -0.03     16
  20       C     0.50    13.82     7.10      36.00       0.26    14.07     16
  21       O    -0.68   -21.19    14.86     -20.23      -0.30   -21.49     16
  22       O    -0.70   -20.75    15.78     -20.23      -0.32   -21.07     16
  23       H     0.09     1.95     5.94     -51.93      -0.31     1.64     16
  24       H     0.04     0.62     8.14     -51.93      -0.42     0.20     16
  25       H     0.04     0.64     8.14     -51.93      -0.42     0.21     16
  26       H     0.04     0.63     8.14     -51.93      -0.42     0.21     16
  27       H     0.06     1.22     7.95     -51.93      -0.41     0.80     16
  28       H     0.07     1.49     8.14     -51.93      -0.42     1.06     16
  29       H     0.07     0.91     7.75     -51.93      -0.40     0.51     16
  30       H     0.06     0.87     8.14     -51.93      -0.42     0.45     16
  31       H     0.44     7.94     6.66     -34.47      -0.23     7.71     16
  32       H     0.19     1.01     7.62     -52.49      -0.40     0.61     16
  33       H     0.19     1.38     7.40     -52.49      -0.39     0.99     16
  34       H     0.19     1.43     7.40     -52.49      -0.39     1.04     16
  35       H     0.19     1.29     7.62     -52.48      -0.40     0.89     16
 Total:         -1.00   -38.47   330.03                 -4.77   -43.24