REAL300017285495.mol2 34                                                        
   1       C     0.09     1.16    10.49      59.85       0.63     1.79     16
   2       N    -0.93   -16.05     3.05    -108.94      -0.33   -16.38     16
   3       C     0.05     0.96     1.65    -132.97      -0.22     0.74     16
   4       C     0.53    15.58     7.81      36.00       0.28    15.86     16
   5       O    -0.68   -22.14    17.67     -20.23      -0.36   -22.49     16
   6       O    -0.68   -22.01    17.37     -20.23      -0.35   -22.36     16
   7       C    -0.17    -2.84     9.32     -26.73      -0.25    -3.09     16
   8       C    -0.16    -2.59     9.73     -26.72      -0.26    -2.85     16
   9       S     2.69    41.94     5.45    -107.50      -0.59    41.36     16
  10       O    -0.92   -17.69    16.02     -57.17      -0.92   -18.61     16
  11       O    -0.94   -15.51    16.13     -57.17      -0.92   -16.43     16
  12       C    -0.67    -6.61     5.95     -39.58      -0.24    -6.84     16
  13       C     0.04     0.25     9.52     -39.58      -0.38    -0.13     16
  14       C    -0.13    -0.95     8.62     -39.58      -0.34    -1.29     16
  15       C     0.41     4.02     4.82     -39.58      -0.19     3.82     16
  16       F    -0.13    -2.47    16.67       2.25       0.04    -2.44     16
  17       F    -0.16    -2.47    15.31       2.25       0.03    -2.44     16
  18       F    -0.17    -2.53    15.32       2.25       0.03    -2.50     16
  19       F    -0.16    -2.49    15.31       2.25       0.03    -2.46     16
  20       F    -0.17    -2.54    15.31       2.25       0.03    -2.51     16
  21       C    -0.13    -1.03     8.62     -39.58      -0.34    -1.37     16
  22       C     0.04     0.30     7.97     -39.59      -0.32    -0.02     16
  23       H     0.05     0.43     8.14     -51.93      -0.42     0.01     16
  24       H     0.08     0.97     7.08     -51.93      -0.37     0.61     16
  25       H     0.09     1.28     8.07     -51.93      -0.42     0.86     16
  26       H     0.12     2.14     8.02     -51.93      -0.42     1.72     16
  27       H     0.08     0.95     5.70     -51.93      -0.30     0.65     16
  28       H     0.09     1.17     8.14     -51.93      -0.42     0.75     16
  29       H     0.11     1.95     8.09     -51.93      -0.42     1.53     16
  30       H     0.19     0.82     7.73     -52.49      -0.41     0.42     16
  31       H     0.19     1.05     7.40     -52.49      -0.39     0.66     16
  32       H     0.19     1.23     7.40     -52.48      -0.39     0.85     16
  33       H     0.20     1.44     6.90     -52.49      -0.36     1.08     16
 Total:         -1.00   -42.26   320.78                 -4.39   -46.64