REAL300007568690.mol2 27                                                        
   1       O    -0.23     5.10    16.62      19.05       0.32     5.41     15
   2       C     0.53   -14.90     8.12      71.23       0.58   -14.32     15
   3       O    -0.22     4.48    18.00      19.04       0.34     4.82     15
   4       C     0.24    -8.40     6.78      85.63       0.58    -7.82     15
   5       N    -0.94    25.99     5.93    -190.80      -1.13    24.86     15
   6       S     2.74   -30.70     5.74     -56.49      -0.32   -31.02     15
   7       O    -0.90     2.19    17.28    -128.00      -2.21    -0.03     15
   8       O    -0.89     8.41    16.76    -128.00      -2.15     6.27     15
   9       C    -0.72    -4.98     5.95      22.27       0.13    -4.84     15
  10       C     0.05     0.68     9.52      22.27       0.21     0.89     15
  11       C    -0.18    -8.24     8.62      22.27       0.19    -8.05     15
  12       C     0.47    31.79     4.82      22.27       0.11    31.90     15
  13       F    -0.28   -32.61    16.66      44.97       0.75   -31.86     15
  14       F    -0.60   -63.51    15.31      44.97       0.69   -62.82     15
  15       F    -0.58   -61.66    15.31      44.97       0.69   -60.97     15
  16       F    -0.60   -65.10    15.31      44.97       0.69   -64.41     15
  17       F    -0.58   -59.21    15.32      44.97       0.69   -58.52     15
  18       C    -0.19    -9.65     8.62      22.27       0.19    -9.46     15
  19       C     0.05     1.01     9.52      22.27       0.21     1.22     15
  20       H     0.26   -11.88     7.75      -2.39      -0.02   -11.90     15
  21       H     0.36   -15.48     8.14      -2.39      -0.02   -15.50     15
  22       H     0.48   -14.98     7.70     -96.74      -0.74   -15.73     15
  23       H     0.25    -1.31     7.62      -2.91      -0.02    -1.34     15
  24       H     0.13     7.23     7.40      -2.91      -0.02     7.21     15
  25       H     0.12     7.35     7.40      -2.91      -0.02     7.33     15
  26       H     0.22     1.78     7.61      -2.91      -0.02     1.75     15
 Total:         -1.00  -306.61   273.82                 -0.31  -306.92