REAL300007753042.mol2 34                                                        
   1       O    -0.75   -52.23    17.85      19.05       0.34   -51.89     16
   2       C     0.47    29.35     7.46      71.23       0.53    29.88     16
   3       O    -0.74   -51.98    17.46      19.04       0.33   -51.65     16
   4       C    -0.18    -7.47     4.22     -11.02      -0.05    -7.52     16
   5       H     0.12     4.05     8.14      -2.38      -0.02     4.03     16
   6       C    -0.12    -3.56     7.31      31.12       0.23    -3.33     16
   7       C     0.15     3.01     4.35      45.58       0.20     3.20     16
   8       H     0.17     1.43     7.76      -2.39      -0.02     1.41     16
   9       N    -1.09   -19.48     5.79    -166.94      -0.97   -20.44     16
  10       S     2.71    41.26     5.68     -56.49      -0.32    40.94     16
  11       O    -0.97   -21.90    17.28    -128.00      -2.21   -24.11     16
  12       O    -0.94   -16.40    17.05    -128.00      -2.18   -18.58     16
  13       C    -0.63    -5.43     5.95      22.27       0.13    -5.30     16
  14       C     0.00     0.00     9.24      22.27       0.21     0.20     16
  15       C    -0.04     0.17    10.05      22.27       0.22     0.39     16
  16       C    -0.05    -0.20     8.62      22.27       0.19    -0.01     16
  17       C     0.31     4.63     4.82      22.27       0.11     4.73     16
  18       F    -0.21    -8.14    16.66      44.97       0.75    -7.39     16
  19       F    -0.15    -4.12    15.32      44.97       0.69    -3.43     16
  20       F    -0.17    -5.44    15.30      44.97       0.69    -4.76     16
  21       F    -0.15    -4.30    15.31      44.97       0.69    -3.62     16
  22       F    -0.17    -5.27    15.32      44.97       0.69    -4.58     16
  23       C    -0.03    -0.38     8.10      22.27       0.18    -0.20     16
  24       C    -0.13    -4.14     7.13      31.18       0.22    -3.91     16
  25       H     0.10     2.38     8.14      -2.39      -0.02     2.36     16
  26       H     0.06     2.17     8.09      -2.39      -0.02     2.15     16
  27       H     0.43     7.78     8.94     -96.74      -0.87     6.92     16
  28       H     0.22    -1.54     7.62      -2.91      -0.02    -1.56     16
  29       H     0.25    -3.85     8.06      -2.92      -0.02    -3.88     16
  30       H     0.21     0.14     7.40      -2.91      -0.02     0.11     16
  31       H     0.18     3.01     6.96      -2.91      -0.02     2.99     16
  32       H     0.06     2.29     8.01      -2.39      -0.02     2.27     16
  33       H     0.09     2.53     8.14      -2.39      -0.02     2.51     16
 Total:         -1.00  -111.64   323.52                 -0.40  -112.03