REAL300007953040.mol2 34                                                        
   1       O    -0.11     2.26    17.40      25.17       0.44     2.70     16
   2       C     0.53   -17.87     8.13      71.23       0.58   -17.29     16
   3       O    -0.17     4.92    18.00      19.04       0.34     5.26     16
   4       C     0.24   -10.92     6.50      71.23       0.46   -10.46     16
   5       O    -0.40    12.35     9.68    -130.00      -1.26    11.10     16
   6       C     0.08    -2.41     6.13      71.98       0.44    -1.96     16
   7       C     0.07    -0.78     6.61      86.38       0.57    -0.21     16
   8       N    -1.09     4.84     5.96    -187.49      -1.12     3.72     16
   9       S     2.75    35.78     5.74     -56.49      -0.32    35.45     16
  10       O    -0.97   -17.86    17.28    -128.00      -2.21   -20.07     16
  11       O    -0.96   -15.55    16.76    -128.00      -2.15   -17.69     16
  12       C    -0.71   -20.99     5.95      22.27       0.13   -20.86     16
  13       C     0.04     1.35     9.52      22.27       0.21     1.57     16
  14       C    -0.18   -11.52     8.62      22.27       0.19   -11.33     16
  15       C     0.47    37.93     4.82      22.27       0.11    38.04     16
  16       F    -0.28   -34.70    16.67      44.97       0.75   -33.95     16
  17       F    -0.59   -66.31    15.32      44.97       0.69   -65.63     16
  18       F    -0.59   -68.30    15.31      44.97       0.69   -67.62     16
  19       F    -0.60   -69.28    15.32      44.97       0.69   -68.59     16
  20       F    -0.59   -65.98    15.31      44.97       0.69   -65.29     16
  21       C    -0.19   -11.96     8.62      22.27       0.19   -11.76     16
  22       C     0.04     1.42     9.52      22.27       0.21     1.63     16
  23       H     0.31   -18.15     8.14      -2.39      -0.02   -18.17     16
  24       H     0.27   -14.98     8.14      -2.39      -0.02   -15.00     16
  25       H     0.15    -5.70     8.14      -2.39      -0.02    -5.72     16
  26       H     0.15    -5.35     8.14      -2.39      -0.02    -5.37     16
  27       H     0.13    -1.60     7.75      -2.39      -0.02    -1.61     16
  28       H     0.07    -0.35     8.14      -2.39      -0.02    -0.37     16
  29       H     0.44    -5.45     8.51     -96.74      -0.82    -6.27     16
  30       H     0.22     4.88     7.62      -2.91      -0.02     4.85     16
  31       H     0.13     9.13     7.40      -2.91      -0.02     9.11     16
  32       H     0.12     8.95     7.40      -2.91      -0.02     8.93     16
  33       H     0.21     5.51     7.62      -2.91      -0.02     5.48     16
 Total:         -1.00  -336.69   330.16                 -0.70  -337.39