REAL300010901247.mol2 33                                                        
   1       C    -0.16    -5.42     8.22      71.98       0.59    -4.83     16
   2       C     0.11     4.32     1.04       2.86       0.00     4.33     16
   3       C    -0.17    -5.01     6.75      71.98       0.49    -4.53     16
   4       N    -1.09   -33.35     5.48    -155.17      -0.85   -34.20     16
   5       S     2.72    58.85     5.35     -56.49      -0.30    58.54     16
   6       O    -0.95   -21.71    14.20    -128.00      -1.82   -23.53     16
   7       O    -0.96   -24.07    17.66    -128.00      -2.26   -26.33     16
   8       C    -0.68    -9.89     3.88      22.27       0.09    -9.80     16
   9       C     0.05     0.64     9.54      22.27       0.21     0.85     16
  10       C    -0.13    -1.72     8.62      22.27       0.19    -1.52     16
  11       C     0.38     7.00     4.82      22.27       0.11     7.10     16
  12       F    -0.21    -8.28    16.66      44.97       0.75    -7.53     16
  13       F    -0.16    -4.94    15.31      44.97       0.69    -4.25     16
  14       F    -0.16    -4.77    15.32      44.97       0.69    -4.08     16
  15       F    -0.15    -4.56    15.32      44.97       0.69    -3.87     16
  16       F    -0.16    -5.25    15.31      44.97       0.69    -4.56     16
  17       C    -0.12    -1.53     8.62      22.27       0.19    -1.33     16
  18       C     0.05     0.54     6.95      22.27       0.15     0.69     16
  19       C     0.48    26.87     6.79      71.24       0.48    27.35     16
  20       O    -0.73   -45.97    17.30      19.05       0.33   -45.64     16
  21       O    -0.72   -44.15    16.59      19.05       0.32   -43.84     16
  22       H     0.06     2.22     7.91      -2.39      -0.02     2.21     16
  23       H     0.05     1.70     8.14      -2.39      -0.02     1.68     16
  24       H     0.11     2.93     5.85      -2.39      -0.01     2.92     16
  25       H     0.10     1.80     4.66      -2.39      -0.01     1.79     16
  26       H     0.07     1.84     7.02      -2.39      -0.02     1.82     16
  27       H     0.07     2.46     7.73      -2.38      -0.02     2.44     16
  28       H     0.42    14.20     7.63     -96.75      -0.74    13.46     16
  29       H     0.22     1.50     7.93      -2.91      -0.02     1.48     16
  30       H     0.20     2.23     7.40      -2.91      -0.02     2.21     16
  31       H     0.21     1.86     7.40      -2.91      -0.02     1.84     16
  32       H     0.23     1.12     6.65      -2.91      -0.02     1.10     16
 Total:         -1.00   -88.53   298.03                  0.51   -88.03