REAL300008363340.mol2 34                                                        
   1       O    -0.27    -1.23    14.98      19.06       0.29    -0.95     16
   2       C     0.50     3.54     5.23      71.24       0.37     3.92     16
   3       O    -0.35   -10.13    18.00      19.05       0.34    -9.78     16
   4       C    -0.04     0.52     5.23      29.85       0.16     0.68     16
   5       C     0.03    -0.69     1.95       3.60       0.01    -0.68     16
   6       N    -0.90    13.81     3.92    -152.22      -0.60    13.22     16
   7       S     2.72    -0.71     5.73     -56.49      -0.32    -1.03     16
   8       O    -0.92    -7.31    17.46    -128.00      -2.23    -9.55     16
   9       O    -0.89     2.23    16.40    -128.00      -2.10     0.13     16
  10       C    -0.74   -13.30     3.57      22.27       0.08   -13.22     16
  11       C     0.03     0.62     7.15      22.27       0.16     0.78     16
  12       C    -0.17    -8.58     8.62      22.27       0.19    -8.38     16
  13       C     0.49    35.13     4.82      22.27       0.11    35.23     16
  14       F    -0.27   -32.31    16.66      44.97       0.75   -31.56     16
  15       F    -0.60   -64.68    15.31      44.97       0.69   -63.99     16
  16       F    -0.59   -64.20    15.32      44.97       0.69   -63.51     16
  17       F    -0.62   -68.96    15.32      44.97       0.69   -68.27     16
  18       F    -0.54   -56.30    15.31      44.97       0.69   -55.61     16
  19       C    -0.18   -10.64     8.62      22.27       0.19   -10.44     16
  20       C     0.03     0.99     8.47      22.27       0.19     1.18     16
  21       C    -0.08     2.63    10.10      30.59       0.31     2.94     16
  22       C     0.00     0.04     9.69      30.60       0.30     0.33     16
  23       H     0.25    -6.99     7.92      -2.39      -0.02    -7.01     16
  24       H     0.19    -2.46     5.71      -2.39      -0.01    -2.47     16
  25       H     0.47    -9.93     8.77     -96.75      -0.85   -10.78     16
  26       H     0.25     0.82     7.31      -2.91      -0.02     0.80     16
  27       H     0.14     8.11     7.40      -2.91      -0.02     8.09     16
  28       H     0.11     7.94     7.40      -2.91      -0.02     7.92     16
  29       H     0.21     4.09     7.77      -2.91      -0.02     4.07     16
  30       H     0.17    -6.24     8.14      -2.39      -0.02    -6.26     16
  31       H     0.19    -7.56     8.06      -2.39      -0.02    -7.58     16
  32       H     0.20    -7.66     8.14      -2.39      -0.02    -7.68     16
  33       H     0.18    -6.04     8.14      -2.39      -0.02    -6.06     16
 Total:         -1.00  -305.45   312.60                 -0.11  -305.56