REAL300017933277.mol2 31                                                        
   1       O    -0.29     5.43    17.12      17.49       0.30     5.73     16
   2       C     0.50   -11.94     7.99      70.03       0.56   -11.38     16
   3       O    -0.30     3.72    18.01      17.54       0.32     4.03     16
   4       C     0.10    -3.68     9.72      23.35       0.23    -3.45     16
   5       C     0.15    -6.07     9.24      24.56       0.23    -5.85     16
   6       C     0.09    -2.87     6.67      85.63       0.57    -2.30     16
   7       N    -1.07    23.66     5.99    -190.79      -1.14    22.51     16
   8       S     2.76    -5.04     5.74     -56.49      -0.32    -5.37     16
   9       O    -0.95    -6.77    17.28    -128.00      -2.21    -8.98     16
  10       O    -0.94    -0.50    16.76    -128.00      -2.15    -2.64     16
  11       C    -0.71   -11.18     5.95      22.27       0.13   -11.05     16
  12       C     0.04     0.97     9.52      22.27       0.21     1.18     16
  13       C    -0.18    -9.46     8.62      22.27       0.19    -9.27     16
  14       C     0.47    33.96     4.82      22.27       0.11    34.07     16
  15       F    -0.28   -33.52    16.65      44.97       0.75   -32.77     16
  16       F    -0.59   -63.30    15.30      44.97       0.69   -62.61     16
  17       F    -0.60   -65.73    15.32      44.97       0.69   -65.04     16
  18       F    -0.60   -66.38    15.31      44.97       0.69   -65.69     16
  19       F    -0.59   -62.46    15.32      44.97       0.69   -61.77     16
  20       C    -0.19   -10.60     8.62      22.27       0.19   -10.41     16
  21       C     0.04     1.15     9.52      22.27       0.21     1.36     16
  22       H     0.30   -12.87     7.88      -2.91      -0.02   -12.89     16
  23       H     0.24   -10.72     7.49      -2.91      -0.02   -10.74     16
  24       H     0.27   -10.57     7.75      -2.39      -0.02   -10.59     16
  25       H     0.18    -6.21     7.82      -2.39      -0.02    -6.23     16
  26       H     0.45   -12.74     8.64     -96.74      -0.84   -13.57     16
  27       H     0.24     1.15     7.62      -2.91      -0.02     1.12     16
  28       H     0.13     7.84     7.40      -2.91      -0.02     7.82     16
  29       H     0.12     7.74     7.40      -2.91      -0.02     7.72     16
  30       H     0.21     3.41     7.62      -2.91      -0.02     3.39     16
 Total:         -1.00  -323.57   309.08                 -0.08  -323.65