REAL300017548552.mol2 37                                                        
   1       O    -0.10     2.90    17.40      25.17       0.44     3.34     16
   2       C     0.53   -20.35     8.13      71.23       0.58   -19.77     16
   3       O    -0.17     5.50    18.00      19.04       0.34     5.85     16
   4       C     0.24   -11.20     6.50      71.23       0.46   -10.73     16
   5       O    -0.39    13.15     9.88    -130.00      -1.28    11.87     16
   6       C     0.08    -2.15     5.94      71.98       0.43    -1.72     16
   7       C    -0.13     2.10     5.73      30.59       0.18     2.27     16
   8       C     0.09    -0.43     6.22      86.38       0.54     0.10     16
   9       N    -1.09    -3.27     6.00    -187.50      -1.12    -4.39     16
  10       S     2.75    46.65     5.74     -56.49      -0.32    46.32     16
  11       O    -0.97   -22.49    17.28    -128.00      -2.21   -24.70     16
  12       O    -0.96   -17.98    16.76    -128.00      -2.15   -20.12     16
  13       C    -0.71   -22.08     5.95      22.27       0.13   -21.95     16
  14       C     0.04     1.54     9.52      22.27       0.21     1.75     16
  15       C    -0.18   -10.96     8.62      22.27       0.19   -10.77     16
  16       C     0.48    38.60     4.82      22.27       0.11    38.71     16
  17       F    -0.36   -44.43    16.66      44.97       0.75   -43.68     16
  18       F    -0.58   -65.27    15.31      44.97       0.69   -64.58     16
  19       F    -0.58   -66.63    15.32      44.97       0.69   -65.94     16
  20       F    -0.59   -68.46    15.31      44.97       0.69   -67.77     16
  21       F    -0.57   -63.13    15.32      44.97       0.69   -62.44     16
  22       C    -0.19   -12.15     8.62      22.27       0.19   -11.96     16
  23       C     0.04     1.47     9.52      22.27       0.21     1.68     16
  24       H     0.30   -17.23     8.14      -2.39      -0.02   -17.25     16
  25       H     0.26   -14.05     8.14      -2.39      -0.02   -14.07     16
  26       H     0.13    -4.57     8.14      -2.39      -0.02    -4.59     16
  27       H     0.11    -3.19     8.14      -2.39      -0.02    -3.21     16
  28       H     0.09    -1.18     8.14      -2.39      -0.02    -1.20     16
  29       H     0.10    -1.68     8.14      -2.38      -0.02    -1.70     16
  30       H     0.11    -0.87     7.75      -2.39      -0.02    -0.89     16
  31       H     0.08    -0.20     8.14      -2.38      -0.02    -0.22     16
  32       H     0.43    -0.85     8.65     -96.74      -0.84    -1.68     16
  33       H     0.23     4.69     7.62      -2.91      -0.02     4.67     16
  34       H     0.14     9.16     7.40      -2.91      -0.02     9.14     16
  35       H     0.12     9.12     7.40      -2.91      -0.02     9.10     16
  36       H     0.21     6.05     7.62      -2.91      -0.02     6.03     16
 Total:         -1.00  -333.86   351.96                 -0.65  -334.51