REAL300017331901.mol2 39                                                        
   1       C    -0.16    -0.98     9.91      71.98       0.71    -0.27     16
   2       C    -0.15    -0.18     5.82      30.59       0.18    -0.01     16
   3       C    -0.14     2.47     4.62      30.60       0.14     2.61     16
   4       C     0.09    -1.98     1.89      44.99       0.09    -1.90     16
   5       H     0.14    -2.47     6.79      -2.39      -0.02    -2.49     16
   6       C     0.04    -1.47     5.56      29.85       0.17    -1.30     16
   7       C     0.53   -15.33     7.61      71.24       0.54   -14.79     16
   8       O    -0.15     2.89    15.21      19.06       0.29     3.18     16
   9       O    -0.13     3.42    18.00      19.07       0.34     3.76     16
  10       N    -1.01    18.17     4.92    -169.38      -0.83    17.34     16
  11       S     2.75    -3.32     5.64     -56.49      -0.32    -3.63     16
  12       O    -0.94    -5.91    17.28    -128.00      -2.21    -8.12     16
  13       O    -0.92     2.50    16.62    -128.00      -2.13     0.38     16
  14       C    -0.71   -13.49     5.77      22.27       0.13   -13.36     16
  15       C     0.04     1.00     8.83      22.27       0.20     1.20     16
  16       C    -0.18    -9.97     8.62      22.27       0.19    -9.78     16
  17       C     0.47    35.46     4.82      22.27       0.11    35.57     16
  18       F    -0.28   -33.69    16.67      44.97       0.75   -32.94     16
  19       F    -0.60   -65.94    15.31      44.97       0.69   -65.25     16
  20       F    -0.59   -66.03    15.32      44.97       0.69   -65.34     16
  21       F    -0.60   -68.04    15.32      44.97       0.69   -67.35     16
  22       F    -0.57   -62.17    15.30      44.97       0.69   -61.48     16
  23       C    -0.19   -11.06     8.62      22.27       0.19   -10.87     16
  24       C     0.04     1.25     9.52      22.27       0.21     1.46     16
  25       H     0.02     0.27     8.14      -2.39      -0.02     0.25     16
  26       H     0.06     0.30     8.14      -2.38      -0.02     0.28     16
  27       H     0.09    -0.07     8.14      -2.38      -0.02    -0.09     16
  28       H     0.04     0.42     8.14      -2.39      -0.02     0.40     16
  29       H     0.08     0.05     7.75      -2.38      -0.02     0.04     16
  30       H     0.15    -4.28     8.14      -2.39      -0.02    -4.30     16
  31       H     0.11    -2.24     6.20      -2.39      -0.01    -2.26     16
  32       H     0.25   -10.26     7.68      -2.38      -0.02   -10.28     16
  33       H     0.28   -13.96     8.14      -2.39      -0.02   -13.98     16
  34       H     0.46   -11.82     8.85     -96.74      -0.86   -12.68     16
  35       H     0.24     1.79     7.62      -2.91      -0.02     1.76     16
  36       H     0.13     8.11     7.40      -2.91      -0.02     8.09     16
  37       H     0.12     8.24     7.40      -2.91      -0.02     8.22     16
  38       H     0.21     3.96     7.62      -2.91      -0.02     3.94     16
 Total:         -1.00  -314.36   353.36                  0.37  -313.99