REAL300017101063.mol2 37                                                        
   1       C     0.01    -0.26    10.82     113.37       1.23     0.97     16
   2       O    -0.38     6.88     9.48    -148.98      -1.41     5.46     16
   3       C     0.08    -1.99     2.55      30.59       0.08    -1.92     16
   4       H     0.18    -5.76     7.79      -2.39      -0.02    -5.78     16
   5       C    -0.17     4.93     9.31      71.98       0.67     5.60     16
   6       C     0.22    -4.31     2.68      44.24       0.12    -4.19     16
   7       H     0.31    -9.55     7.50      -2.39      -0.02    -9.57     16
   8       N    -0.88    15.02     4.20    -172.53      -0.73    14.30     16
   9       S     2.71   -12.70     5.72     -56.49      -0.32   -13.03     16
  10       O    -0.89    -1.11    17.28    -128.00      -2.21    -3.32     16
  11       O    -0.86     5.43    16.63    -128.00      -2.13     3.30     16
  12       C    -0.74   -11.18     5.94      22.27       0.13   -11.05     16
  13       C     0.03     0.76     9.52      22.27       0.21     0.97     16
  14       C    -0.18    -9.15     8.62      22.27       0.19    -8.96     16
  15       C     0.49    35.08     4.82      22.27       0.11    35.19     16
  16       F    -0.34   -41.77    16.66      44.97       0.75   -41.02     16
  17       F    -0.59   -64.46    15.31      44.97       0.69   -63.77     16
  18       F    -0.57   -61.44    15.31      44.97       0.69   -60.76     16
  19       F    -0.58   -64.58    15.31      44.97       0.69   -63.90     16
  20       F    -0.57   -61.06    15.31      44.97       0.69   -60.37     16
  21       C    -0.19   -10.29     8.62      22.27       0.19   -10.10     16
  22       C     0.05     1.36     9.52      22.27       0.21     1.57     16
  23       C     0.52    -1.81     6.77      71.23       0.48    -1.33     16
  24       O    -0.25    -1.18    17.51      19.35       0.34    -0.84     16
  25       O    -0.26    -0.98    18.00      19.04       0.34    -0.64     16
  26       H     0.07    -1.19     8.09      -2.39      -0.02    -1.21     16
  27       H     0.09    -2.16     7.87      -2.38      -0.02    -2.18     16
  28       H     0.10    -1.40     8.14      -2.39      -0.02    -1.42     16
  29       H     0.09    -2.80     7.38      -2.39      -0.02    -2.81     16
  30       H     0.13    -4.07     7.87      -2.39      -0.02    -4.09     16
  31       H     0.13    -4.39     8.14      -2.38      -0.02    -4.41     16
  32       H     0.48   -11.29     8.45     -96.74      -0.82   -12.10     16
  33       H     0.25     0.69     7.62      -2.91      -0.02     0.67     16
  34       H     0.14     8.18     7.40      -2.91      -0.02     8.16     16
  35       H     0.13     8.21     7.40      -2.91      -0.02     8.19     16
  36       H     0.22     3.09     7.62      -2.91      -0.02     3.06     16
 Total:         -1.00  -301.25   347.18                 -0.05  -301.29