REAL300007635377.mol2 30                                                        
   1       C    -0.18     4.13     9.50      71.98       0.68     4.82     15
   2       C     0.27    -6.88     3.38      44.25       0.15    -6.73     15
   3       N    -0.94    20.66     5.44    -172.51      -0.94    19.72     15
   4       S     2.73   -20.48     5.72     -56.49      -0.32   -20.81     15
   5       O    -0.90     0.17    17.28    -128.00      -2.21    -2.05     15
   6       O    -0.89     4.88    16.63    -128.00      -2.13     2.75     15
   7       C    -0.72    -6.15     5.07      22.27       0.11    -6.03     15
   8       C     0.04     0.66     8.56      22.27       0.19     0.85     15
   9       C    -0.17    -7.88     8.62      22.27       0.19    -7.68     15
  10       C     0.48    31.37     4.82      22.27       0.11    31.47     15
  11       F    -0.28   -32.31    16.66      44.97       0.75   -31.56     15
  12       F    -0.59   -60.74    15.31      44.97       0.69   -60.05     15
  13       F    -0.59   -61.58    15.32      44.97       0.69   -60.89     15
  14       F    -0.61   -65.86    15.32      44.97       0.69   -65.17     15
  15       F    -0.56   -56.50    15.31      44.97       0.69   -55.81     15
  16       C    -0.19    -9.16     8.62      22.27       0.19    -8.97     15
  17       C     0.05     1.08     9.52      22.27       0.21     1.29     15
  18       C     0.54   -12.15     7.23      71.24       0.52   -11.64     15
  19       O    -0.22     3.80    18.00      19.05       0.34     4.14     15
  20       O    -0.24     4.39    17.09      19.02       0.33     4.72     15
  21       H     0.18    -2.72     6.15      -2.39      -0.01    -2.74     15
  22       H     0.17    -4.51     8.14      -2.39      -0.02    -4.53     15
  23       H     0.15    -3.97     8.14      -2.39      -0.02    -3.99     15
  24       H     0.27    -8.99     7.50      -2.39      -0.02    -9.01     15
  25       H     0.48   -13.16     8.15     -96.74      -0.79   -13.95     15
  26       H     0.25    -0.68     7.62      -2.91      -0.02    -0.70     15
  27       H     0.14     7.22     7.40      -2.91      -0.02     7.20     15
  28       H     0.12     7.36     7.40      -2.91      -0.02     7.34     15
  29       H     0.22     1.77     7.61      -2.91      -0.02     1.74     15
 Total:         -1.00  -286.23   291.50                 -0.02  -286.26