REAL300007568689.mol2 27                                                        
   1       O    -0.72   -46.52    16.62      19.05       0.32   -46.20     15
   2       C     0.47    26.99     8.12      71.23       0.58    27.57     15
   3       O    -0.73   -47.83    18.00      19.04       0.34   -47.48     15
   4       C     0.06     2.39     6.78      85.63       0.58     2.97     15
   5       N    -1.10   -36.81     5.93    -190.80      -1.13   -37.94     15
   6       S     2.72    70.38     5.74     -56.49      -0.32    70.06     15
   7       O    -0.97   -31.01    17.28    -128.00      -2.21   -33.22     15
   8       O    -0.95   -25.89    16.76    -128.00      -2.15   -28.04     15
   9       C    -0.63   -10.99     5.95      22.27       0.13   -10.85     15
  10       C     0.00     0.02     9.52      22.27       0.21     0.23     15
  11       C    -0.04    -0.04    10.05      22.27       0.22     0.18     15
  12       C    -0.05    -0.44     8.62      22.27       0.19    -0.25     15
  13       C     0.33     6.80     4.82      22.27       0.11     6.91     15
  14       F    -0.06    -2.16    16.66      44.97       0.75    -1.41     15
  15       F    -0.24    -7.13    15.32      44.97       0.69    -6.44     15
  16       F    -0.24    -8.81    15.30      44.97       0.69    -8.12     15
  17       F    -0.11    -3.22    15.31      44.97       0.69    -2.53     15
  18       F    -0.21    -7.57    15.32      44.97       0.69    -6.88     15
  19       C    -0.03    -0.68     8.10      22.27       0.18    -0.50     15
  20       H     0.11     3.52     7.75      -2.39      -0.02     3.51     15
  21       H     0.11     3.08     8.14      -2.39      -0.02     3.06     15
  22       H     0.42    15.97     7.70     -96.74      -0.74    15.23     15
  23       H     0.22     0.45     7.62      -2.91      -0.02     0.43     15
  24       H     0.25    -2.66     8.06      -2.91      -0.02    -2.68     15
  25       H     0.21     0.87     7.40      -2.91      -0.02     0.85     15
  26       H     0.18     4.41     6.96      -2.91      -0.02     4.39     15
 Total:         -1.00   -96.86   273.83                 -0.31   -97.17