REAL300007716392.mol2 34                                                        
   1       C     0.02    -0.36    11.01     113.37       1.25     0.88     16
   2       O    -0.39     7.42     9.89    -148.98      -1.47     5.94     16
   3       C     0.03    -0.73     5.72      71.98       0.41    -0.32     16
   4       C     0.25    -5.47     3.05      44.24       0.14    -5.33     16
   5       N    -0.89    16.74     4.97    -172.51      -0.86    15.88     16
   6       S     2.70   -13.64     5.65     -56.49      -0.32   -13.96     16
   7       O    -0.89    -0.97    17.28    -128.00      -2.21    -3.18     16
   8       O    -0.89     1.80    17.05    -128.00      -2.18    -0.38     16
   9       C    -0.71    -7.12     5.82      22.27       0.13    -6.99     16
  10       C     0.04     0.65     8.88      22.27       0.20     0.85     16
  11       C    -0.17    -8.16     8.62      22.27       0.19    -7.97     16
  12       C     0.48    31.83     4.82      22.27       0.11    31.94     16
  13       F    -0.28   -32.03    16.65      44.97       0.75   -31.28     16
  14       F    -0.58   -60.11    15.32      44.97       0.69   -59.42     16
  15       F    -0.60   -63.08    15.31      44.97       0.69   -62.39     16
  16       F    -0.60   -63.61    15.31      44.97       0.69   -62.93     16
  17       F    -0.58   -59.50    15.32      44.97       0.69   -58.81     16
  18       C    -0.18    -9.02     8.62      22.27       0.19    -8.83     16
  19       C     0.05     1.15     9.52      22.27       0.21     1.36     16
  20       C     0.54    -8.16     6.88      71.24       0.49    -7.67     16
  21       O    -0.24     2.74    18.00      19.07       0.34     3.08     16
  22       O    -0.25     2.51    17.36      19.04       0.33     2.84     16
  23       H     0.07    -1.26     8.14      -2.39      -0.02    -1.28     16
  24       H     0.07    -1.16     8.14      -2.38      -0.02    -1.18     16
  25       H     0.10    -1.52     8.14      -2.39      -0.02    -1.54     16
  26       H     0.17    -4.77     8.14      -2.39      -0.02    -4.79     16
  27       H     0.22    -6.27     8.14      -2.39      -0.02    -6.28     16
  28       H     0.30    -8.74     7.21      -2.39      -0.02    -8.76     16
  29       H     0.48   -12.30     8.58     -96.74      -0.83   -13.13     16
  30       H     0.24    -0.09     7.62      -2.91      -0.02    -0.11     16
  31       H     0.14     7.54     7.40      -2.91      -0.02     7.52     16
  32       H     0.13     7.48     7.40      -2.91      -0.02     7.46     16
  33       H     0.23     1.77     7.62      -2.91      -0.02     1.75     16
 Total:         -1.00  -286.46   327.59                 -0.58  -287.04