REAL300007753043.mol2 34                                                        
   1       O    -0.19     4.30    17.85      19.05       0.34     4.64     16
   2       C     0.56   -16.81     7.46      71.23       0.53   -16.27     16
   3       O    -0.19     4.87    17.46      19.04       0.33     5.21     16
   4       C     0.06    -2.11     4.22     -11.02      -0.05    -2.16     16
   5       H     0.31   -13.89     8.14      -2.38      -0.02   -13.91     16
   6       C    -0.16     4.81     7.31      31.12       0.23     5.03     16
   7       C     0.12    -2.83     4.35      45.58       0.20    -2.63     16
   8       H     0.19    -4.44     7.76      -2.39      -0.02    -4.46     16
   9       N    -1.07    14.85     5.79    -166.94      -0.97    13.89     16
  10       S     2.76    12.11     5.68     -56.49      -0.32    11.79     16
  11       O    -0.96   -12.09    17.28    -128.00      -2.21   -14.31     16
  12       O    -0.94    -5.90    17.05    -128.00      -2.18    -8.08     16
  13       C    -0.71   -14.80     5.95      22.27       0.13   -14.67     16
  14       C     0.04     1.04     9.24      22.27       0.21     1.25     16
  15       C    -0.18    -9.82     8.62      22.27       0.19    -9.62     16
  16       C     0.47    35.14     4.82      22.27       0.11    35.25     16
  17       F    -0.28   -34.22    16.66      44.97       0.75   -33.47     16
  18       F    -0.58   -63.27    15.31      44.97       0.69   -62.58     16
  19       F    -0.60   -66.46    15.32      44.97       0.69   -65.78     16
  20       F    -0.61   -68.54    15.32      44.97       0.69   -67.85     16
  21       F    -0.58   -62.26    15.31      44.97       0.69   -61.58     16
  22       C    -0.19   -11.09     8.62      22.27       0.19   -10.89     16
  23       C     0.04     1.23     9.52      22.27       0.21     1.45     16
  24       C    -0.15     5.02     7.13      31.18       0.22     5.24     16
  25       H     0.17    -4.43     8.14      -2.39      -0.02    -4.45     16
  26       H     0.18    -5.93     8.09      -2.39      -0.02    -5.95     16
  27       H     0.45    -8.91     8.94     -96.74      -0.87    -9.77     16
  28       H     0.23     2.20     7.62      -2.91      -0.02     2.18     16
  29       H     0.13     8.25     7.40      -2.91      -0.02     8.23     16
  30       H     0.12     8.14     7.40      -2.91      -0.02     8.12     16
  31       H     0.21     4.33     7.62      -2.91      -0.02     4.31     16
  32       H     0.18    -6.57     8.01      -2.39      -0.02    -6.59     16
  33       H     0.19    -7.06     8.14      -2.39      -0.02    -7.08     16
 Total:         -1.00  -315.14   323.52                 -0.40  -315.54