REAL300007974550.mol2 35                                                        
   1       O    -0.23     0.10    17.11      19.05       0.33     0.43     16
   2       C     0.53    -7.00     6.89      71.23       0.49    -6.51     16
   3       O    -0.20     2.46    17.38      24.99       0.43     2.89     16
   4       C     0.26    -5.59     1.19     -10.35      -0.01    -5.60     16
   5       O    -0.30     9.39    12.73    -130.67      -1.66     7.73     16
   6       C    -0.11     3.16     6.23      31.99       0.20     3.36     16
   7       C     0.10    -2.03     6.98      86.85       0.61    -1.43     16
   8       N    -1.00     2.83     3.70    -506.42      -1.87     0.95     16
   9       S     2.76    43.36     5.93     -56.49      -0.34    43.03     16
  10       O    -0.97   -28.05    16.86    -128.00      -2.16   -30.21     16
  11       O    -0.91   -10.63    16.87    -128.00      -2.16   -12.79     16
  12       C    -0.66   -20.42     5.97      22.27       0.13   -20.28     16
  13       C    -0.02    -0.36     9.52      22.27       0.21    -0.14     16
  14       C    -0.08    -2.34    10.05      22.27       0.22    -2.12     16
  15       C    -0.11    -6.55     8.62      22.27       0.19    -6.36     16
  16       C     0.39    29.95     4.82      22.27       0.11    30.06     16
  17       F    -0.29   -34.77    16.66      44.97       0.75   -34.02     16
  18       F    -0.60   -67.82    15.31      44.97       0.69   -67.14     16
  19       F    -0.59   -62.24    15.31      44.97       0.69   -61.55     16
  20       F    -0.59   -64.15    15.32      44.97       0.69   -63.46     16
  21       F    -0.60   -66.69    15.31      44.97       0.69   -66.00     16
  22       C    -0.06    -3.52     8.10      22.27       0.18    -3.33     16
  23       C     0.08    -0.44     6.32      86.73       0.55     0.11     16
  24       H     0.48   -21.41     8.97     -74.06      -0.66   -22.08     16
  25       H     0.23    -9.59     8.14      -2.39      -0.02    -9.61     16
  26       H     0.15    -3.71     7.65      -2.39      -0.02    -3.73     16
  27       H     0.16    -4.30     8.14      -2.39      -0.02    -4.32     16
  28       H     0.16    -3.69     8.14      -2.38      -0.02    -3.71     16
  29       H     0.24     0.65     7.62      -2.91      -0.02     0.63     16
  30       H     0.22     3.70     8.06      -2.91      -0.02     3.68     16
  31       H     0.12     8.16     7.40      -2.91      -0.02     8.14     16
  32       H     0.13     8.44     6.96      -2.91      -0.02     8.42     16
  33       H     0.11     0.41     7.56      -2.39      -0.02     0.40     16
  34       H     0.16    -1.27     8.07      -2.38      -0.02    -1.29     16
 Total:         -1.00  -313.96   329.90                 -1.91  -315.87