REAL300017130035.mol2 39                                                        
   1       C    -0.20    -0.61    10.24      71.98       0.74     0.13     16
   2       C     0.10    -0.70     6.40      86.38       0.55    -0.15     16
   3       N    -0.95     6.63     2.78    -515.79      -1.44     5.19     16
   4       C     0.11    -2.39     5.35      86.38       0.46    -1.93     16
   5       C    -0.20     6.65     4.82      30.59       0.15     6.80     16
   6       C     0.06    -2.57     5.78      29.85       0.17    -2.40     16
   7       C     0.54   -19.86     8.06      71.24       0.57   -19.29     16
   8       O    -0.17     4.90    16.88      19.06       0.32     5.23     16
   9       O    -0.15     4.46    18.00      19.06       0.34     4.80     16
  10       S     2.74    23.73     5.65     -56.49      -0.32    23.41     16
  11       O    -0.94    -5.96    16.25    -128.00      -2.08    -8.04     16
  12       O    -0.96   -15.11    15.84    -128.00      -2.03   -17.14     16
  13       C    -0.71   -19.00     5.97      22.27       0.13   -18.86     16
  14       C     0.03     1.20     8.40      22.27       0.19     1.39     16
  15       C    -0.19   -12.04     8.62      22.27       0.19   -11.85     16
  16       C     0.47    37.25     4.82      22.27       0.11    37.36     16
  17       F    -0.28   -34.36    16.66      44.97       0.75   -33.61     16
  18       F    -0.57   -62.99    15.31      44.97       0.69   -62.30     16
  19       F    -0.61   -70.73    15.32      44.97       0.69   -70.04     16
  20       F    -0.59   -66.78    15.32      44.97       0.69   -66.09     16
  21       F    -0.59   -67.00    15.31      44.97       0.69   -66.31     16
  22       C    -0.18   -10.79     8.62      22.27       0.19   -10.60     16
  23       C     0.04     1.42     9.52      22.27       0.21     1.63     16
  24       H     0.08    -0.06     8.14      -2.39      -0.02    -0.08     16
  25       H     0.02     0.33     6.98      -2.39      -0.02     0.31     16
  26       H     0.08     0.22     8.14      -2.39      -0.02     0.20     16
  27       H     0.15    -2.94     8.11      -2.39      -0.02    -2.96     16
  28       H     0.09    -0.21     6.91      -2.39      -0.02    -0.23     16
  29       H     0.13    -2.99     7.61      -2.39      -0.02    -3.00     16
  30       H     0.16    -4.78     8.11      -2.39      -0.02    -4.80     16
  31       H     0.15    -5.49     8.10      -2.39      -0.02    -5.50     16
  32       H     0.12    -3.40     8.10      -2.39      -0.02    -3.42     16
  33       H     0.25   -12.79     8.14      -2.39      -0.02   -12.81     16
  34       H     0.27   -14.77     8.14      -2.39      -0.02   -14.79     16
  35       H     0.20     5.44     7.62      -2.91      -0.02     5.42     16
  36       H     0.12     8.79     7.40      -2.91      -0.02     8.77     16
  37       H     0.13     8.76     7.40      -2.91      -0.02     8.74     16
  38       H     0.23     3.30     7.62      -2.91      -0.02     3.28     16
 Total:         -1.00  -325.25   356.44                  1.68  -323.57