REAL300007645228.mol2 30                                                        
   1       C    -0.18     4.01     9.50      71.98       0.68     4.69     15
   2       C     0.27    -6.32     3.37      44.25       0.15    -6.17     15
   3       H     0.29   -10.37     7.50      -2.39      -0.02   -10.38     15
   4       N    -0.96    11.79     5.44    -172.52      -0.94    10.85     15
   5       S     2.71     8.74     5.72     -56.49      -0.32     8.42     15
   6       O    -0.93   -18.07    17.28    -128.00      -2.21   -20.28     15
   7       O    -0.87     2.29    16.63    -128.00      -2.13     0.16     15
   8       C    -0.66   -11.19     5.07      22.27       0.11   -11.08     15
   9       C    -0.01    -0.08     8.56      22.27       0.19     0.12     15
  10       C    -0.07    -1.14    10.05      22.27       0.22    -0.91     15
  11       C    -0.10    -4.67     8.62      22.27       0.19    -4.48     15
  12       C     0.39    25.92     4.82      22.27       0.11    26.03     15
  13       F    -0.28   -33.08    16.66      44.97       0.75   -32.34     15
  14       F    -0.60   -64.15    15.31      44.97       0.69   -63.46     15
  15       F    -0.58   -58.87    15.31      44.97       0.69   -58.18     15
  16       F    -0.59   -61.25    15.32      44.97       0.69   -60.56     15
  17       F    -0.59   -62.99    15.31      44.97       0.69   -62.31     15
  18       C    -0.05    -2.45     8.10      22.27       0.18    -2.27     15
  19       C     0.54   -10.95     7.23      71.23       0.52   -10.43     15
  20       O    -0.20     3.72    18.00      19.04       0.34     4.06     15
  21       O    -0.24     3.26    17.09      19.05       0.33     3.59     15
  22       H     0.13    -2.49     8.14      -2.39      -0.02    -2.51     15
  23       H     0.19    -3.00     6.15      -2.39      -0.01    -3.01     15
  24       H     0.19    -6.03     8.14      -2.39      -0.02    -6.05     15
  25       H     0.47    -6.67     8.15     -96.74      -0.79    -7.46     15
  26       H     0.27    -4.34     7.62      -2.91      -0.02    -4.36     15
  27       H     0.23     0.79     8.06      -2.91      -0.02     0.76     15
  28       H     0.12     7.12     7.40      -2.91      -0.02     7.10     15
  29       H     0.13     7.29     6.96      -2.91      -0.02     7.27     15
 Total:         -1.00  -293.17   291.50                 -0.02  -293.19