REAL300017805549.mol2 31                                                        
   1       C    -0.17     5.43     9.52      71.98       0.68     6.12     16
   2       C     0.19    -5.89     3.34      29.85       0.10    -5.79     16
   3       H     0.29   -13.49     7.94      -2.39      -0.02   -13.51     16
   4       O    -0.02     0.44    10.67     -19.04      -0.20     0.24     16
   5       N    -0.87    17.19     6.89      37.02       0.26    17.45     16
   6       S     2.76    -2.56     6.00     -56.49      -0.34    -2.90     16
   7       O    -0.89    -1.67    17.28    -128.00      -2.21    -3.88     16
   8       O    -0.92    -5.16    17.28    -127.31      -2.20    -7.36     16
   9       C    -0.71   -12.21     5.97      22.27       0.13   -12.08     16
  10       C     0.04     1.23     9.52      22.27       0.21     1.44     16
  11       C    -0.19   -10.39     8.62      22.27       0.19   -10.19     16
  12       C     0.47    34.56     4.82      22.27       0.11    34.67     16
  13       F    -0.28   -33.21    16.67      44.97       0.75   -32.46     16
  14       F    -0.58   -61.55    15.31      44.97       0.69   -60.86     16
  15       F    -0.60   -66.86    15.32      44.97       0.69   -66.17     16
  16       F    -0.59   -64.70    15.31      44.97       0.69   -64.01     16
  17       F    -0.60   -64.25    15.31      44.97       0.69   -63.57     16
  18       C    -0.18    -9.95     8.62      22.27       0.19    -9.76     16
  19       C     0.05     1.31     9.52      22.27       0.21     1.52     16
  20       C     0.53   -11.26     7.41      71.23       0.53   -10.74     16
  21       O    -0.21     2.27    17.41      25.14       0.44     2.70     16
  22       O    -0.24     4.28    17.95      19.04       0.34     4.62     16
  23       H     0.17    -6.37     8.14      -2.39      -0.02    -6.39     16
  24       H     0.23    -8.52     8.14      -2.39      -0.02    -8.54     16
  25       H     0.12    -2.86     8.14      -2.39      -0.02    -2.88     16
  26       H     0.47   -15.59     8.56     -96.74      -0.83   -16.41     16
  27       H     0.22     3.21     7.62      -2.91      -0.02     3.19     16
  28       H     0.12     8.08     7.40      -2.91      -0.02     8.06     16
  29       H     0.13     8.04     7.40      -2.91      -0.02     8.02     16
  30       H     0.23     2.34     7.62      -2.91      -0.02     2.31     16
 Total:         -1.00  -308.11   309.72                  0.95  -307.16