REAL300017613118.mol2 34                                                        
   1       O    -0.15     3.87    16.32      23.87       0.39     4.26     16
   2       C     0.53   -18.27     7.93      71.23       0.57   -17.70     16
   3       O    -0.15     4.22    18.00      19.04       0.34     4.56     16
   4       C     0.01    -0.61     5.46      29.85       0.16    -0.45     16
   5       C     0.07    -2.41     2.60      30.59       0.08    -2.34     16
   6       H     0.17    -5.58     7.95      -2.39      -0.02    -5.59     16
   7       O    -0.51    14.96    12.43    -135.21      -1.68    13.28     16
   8       C     0.07    -1.68     5.89      86.38       0.51    -1.18     16
   9       N    -1.09    11.24     5.86    -187.49      -1.10    10.14     16
  10       S     2.76    19.20     5.74     -56.49      -0.32    18.87     16
  11       O    -0.97   -15.03    17.28    -128.00      -2.21   -17.24     16
  12       O    -0.95    -7.72    16.76    -128.00      -2.15    -9.86     16
  13       C    -0.71   -16.25     5.95      22.27       0.13   -16.11     16
  14       C     0.04     1.24     9.52      22.27       0.21     1.45     16
  15       C    -0.18    -9.97     8.62      22.27       0.19    -9.78     16
  16       C     0.47    35.59     4.82      22.27       0.11    35.70     16
  17       F    -0.28   -34.07    16.66      44.97       0.75   -33.32     16
  18       F    -0.59   -65.51    15.31      44.97       0.69   -64.82     16
  19       F    -0.59   -65.88    15.32      44.97       0.69   -65.19     16
  20       F    -0.60   -68.75    15.30      44.97       0.69   -68.06     16
  21       F    -0.58   -61.86    15.32      44.97       0.69   -61.18     16
  22       C    -0.19   -11.53     8.62      22.27       0.19   -11.33     16
  23       C     0.04     1.21     9.52      22.27       0.21     1.43     16
  24       H     0.27   -14.33     8.14      -2.39      -0.02   -14.35     16
  25       H     0.26   -12.36     8.14      -2.39      -0.02   -12.38     16
  26       H     0.42   -15.60     9.05     -74.05      -0.67   -16.27     16
  27       H     0.15    -4.36     7.75      -2.39      -0.02    -4.38     16
  28       H     0.13    -3.01     8.14      -2.38      -0.02    -3.03     16
  29       H     0.44    -6.07     8.65     -96.74      -0.84    -6.91     16
  30       H     0.24     2.55     7.62      -2.91      -0.02     2.53     16
  31       H     0.13     8.31     7.40      -2.91      -0.02     8.28     16
  32       H     0.12     8.39     7.40      -2.91      -0.02     8.37     16
  33       H     0.21     4.79     7.62      -2.91      -0.02     4.77     16
 Total:         -1.00  -325.29   327.10                 -2.55  -327.85