REAL300007972629.mol2 33                                                        
   1       C    -0.17     2.77     9.52      71.98       0.69     3.46     16
   2       C     0.09    -2.07     2.47      44.99       0.11    -1.96     16
   3       H     0.19    -5.47     7.31      -2.39      -0.02    -5.49     16
   4       C     0.04    -1.71     5.38      29.85       0.16    -1.55     16
   5       C     0.53   -15.20     7.92      71.24       0.56   -14.63     16
   6       O    -0.18     3.27    16.01      19.16       0.31     3.58     16
   7       O    -0.17     4.08    18.00      19.04       0.34     4.43     16
   8       N    -1.06     8.18     4.61    -169.39      -0.78     7.40     16
   9       S     2.73    35.26     5.72     -56.49      -0.32    34.94     16
  10       O    -0.98   -28.55    17.28    -128.00      -2.21   -30.76     16
  11       O    -0.91    -6.69    16.39    -127.83      -2.09    -8.78     16
  12       C    -0.66   -18.33     5.07      22.27       0.11   -18.22     16
  13       C    -0.02    -0.32     8.56      22.27       0.19    -0.13     16
  14       C    -0.07    -1.92    10.05      22.27       0.22    -1.70     16
  15       C    -0.11    -6.11     8.62      22.27       0.19    -5.92     16
  16       C     0.39    29.40     4.82      22.27       0.11    29.51     16
  17       F    -0.28   -34.33    16.66      44.97       0.75   -33.58     16
  18       F    -0.60   -66.98    15.31      44.97       0.69   -66.29     16
  19       F    -0.59   -63.59    15.31      44.97       0.69   -62.90     16
  20       F    -0.58   -63.55    15.32      44.97       0.69   -62.86     16
  21       F    -0.60   -68.01    15.31      44.97       0.69   -67.32     16
  22       C    -0.06    -3.28     8.10      22.27       0.18    -3.10     16
  23       H     0.10    -1.51     8.14      -2.39      -0.02    -1.53     16
  24       H     0.08    -0.21     6.15      -2.39      -0.01    -0.22     16
  25       H     0.16    -4.45     8.14      -2.39      -0.02    -4.47     16
  26       H     0.26   -11.72     8.14      -2.39      -0.02   -11.74     16
  27       H     0.29   -15.01     8.14      -2.38      -0.02   -15.03     16
  28       H     0.45    -5.82     8.84     -96.74      -0.85    -6.68     16
  29       H     0.25    -0.83     7.62      -2.91      -0.02    -0.85     16
  30       H     0.23     2.79     8.06      -2.91      -0.02     2.76     16
  31       H     0.12     7.86     7.40      -2.91      -0.02     7.84     16
  32       H     0.12     8.14     6.96      -2.91      -0.02     8.12     16
 Total:         -1.00  -323.91   311.31                  0.22  -323.70