REAL300007985029.mol2 34                                                        
   1       C    -0.06     1.97    10.78     113.37       1.22     3.19     16
   2       O    -0.14     4.17     9.75    -130.00      -1.27     2.91     16
   3       C     0.16    -4.85     2.69      29.85       0.08    -4.77     16
   4       H     0.31   -12.58     7.79      -2.39      -0.02   -12.60     16
   5       C     0.07    -1.41     5.83      86.38       0.50    -0.91     16
   6       N    -1.08     8.14     5.86    -187.49      -1.10     7.04     16
   7       S     2.75    35.93     5.74     -56.49      -0.32    35.60     16
   8       O    -0.97   -27.02    17.28    -128.00      -2.21   -29.23     16
   9       O    -0.92    -8.51    16.76    -128.00      -2.15   -10.65     16
  10       C    -0.66   -18.89     5.95      22.27       0.13   -18.76     16
  11       C    -0.02    -0.39     9.52      22.27       0.21    -0.17     16
  12       C    -0.07    -2.22    10.05      22.27       0.22    -1.99     16
  13       C    -0.11    -6.46     8.62      22.27       0.19    -6.26     16
  14       C     0.39    29.69     4.82      22.27       0.11    29.80     16
  15       F    -0.29   -34.77    16.66      44.97       0.75   -34.02     16
  16       F    -0.61   -68.80    15.31      44.97       0.69   -68.11     16
  17       F    -0.58   -61.51    15.31      44.97       0.69   -60.82     16
  18       F    -0.59   -64.87    15.32      44.97       0.69   -64.19     16
  19       F    -0.60   -67.21    15.31      44.97       0.69   -66.52     16
  20       C    -0.06    -3.24     8.10      22.27       0.18    -3.06     16
  21       C     0.54   -12.67     7.42      71.24       0.53   -12.14     16
  22       O    -0.24     4.67    17.37      25.17       0.44     5.11     16
  23       O    -0.25     3.98    17.83      19.05       0.34     4.32     16
  24       H     0.16    -6.31     8.14      -2.39      -0.02    -6.33     16
  25       H     0.16    -5.36     8.14      -2.38      -0.02    -5.38     16
  26       H     0.17    -6.56     8.08      -2.39      -0.02    -6.58     16
  27       H     0.18    -4.26     7.75      -2.39      -0.02    -4.28     16
  28       H     0.18    -3.74     8.08      -2.39      -0.02    -3.76     16
  29       H     0.45    -6.25     8.65     -96.75      -0.84    -7.09     16
  30       H     0.25    -0.06     7.62      -2.91      -0.02    -0.08     16
  31       H     0.22     3.38     8.06      -2.91      -0.02     3.36     16
  32       H     0.12     8.13     7.40      -2.91      -0.02     8.10     16
  33       H     0.13     8.35     6.96      -2.91      -0.02     8.33     16
 Total:         -1.00  -319.53   328.96                 -0.42  -319.95