REAL300010821946.mol2 34                                                        
   1       C    -0.18     6.38     8.53      71.98       0.61     7.00     16
   2       C     0.26    -8.10     0.98     -11.54      -0.01    -8.11     16
   3       O    -0.35    11.11    12.40    -130.00      -1.61     9.50     16
   4       C     0.07    -1.60     5.32      86.38       0.46    -1.14     16
   5       N    -1.08    19.50     5.40    -187.50      -1.01    18.49     16
   6       S     2.77     1.48     5.74     -56.49      -0.32     1.16     16
   7       O    -0.94    -7.07    17.28    -128.00      -2.21    -9.28     16
   8       O    -0.93    -2.85    16.76    -128.00      -2.15    -4.99     16
   9       C    -0.71   -13.27     5.95      22.27       0.13   -13.13     16
  10       C     0.04     1.05     9.52      22.27       0.21     1.26     16
  11       C    -0.18    -9.99     8.62      22.27       0.19    -9.80     16
  12       C     0.47    34.82     4.82      22.27       0.11    34.92     16
  13       F    -0.28   -33.67    16.66      44.97       0.75   -32.92     16
  14       F    -0.60   -65.64    15.31      44.97       0.69   -64.95     16
  15       F    -0.59   -64.98    15.31      44.97       0.69   -64.29     16
  16       F    -0.60   -67.52    15.31      44.97       0.69   -66.83     16
  17       F    -0.58   -62.42    15.31      44.97       0.69   -61.73     16
  18       C    -0.19   -10.83     8.62      22.27       0.19   -10.63     16
  19       C     0.04     1.22     9.52      22.27       0.21     1.43     16
  20       C     0.53   -13.20     6.78      71.24       0.48   -12.72     16
  21       O    -0.22     4.14    17.26      25.16       0.43     4.57     16
  22       O    -0.19     3.92    17.58      19.06       0.34     4.26     16
  23       H     0.15    -5.44     8.14      -2.39      -0.02    -5.45     16
  24       H     0.16    -5.76     8.09      -2.39      -0.02    -5.78     16
  25       H     0.20    -7.36     6.89      -2.39      -0.02    -7.38     16
  26       H     0.47   -16.84     8.86     -74.05      -0.66   -17.50     16
  27       H     0.19    -5.16     7.58      -2.39      -0.02    -5.18     16
  28       H     0.15    -3.75     8.14      -2.39      -0.02    -3.77     16
  29       H     0.45   -11.46     7.58     -96.74      -0.73   -12.20     16
  30       H     0.23     2.25     7.62      -2.92      -0.02     2.23     16
  31       H     0.13     8.05     7.40      -2.91      -0.02     8.03     16
  32       H     0.12     8.14     7.40      -2.91      -0.02     8.12     16
  33       H     0.22     3.68     7.62      -2.91      -0.02     3.65     16
 Total:         -1.00  -311.12   324.30                 -2.01  -313.13