REAL300017549749.mol2 36                                                        
   1       C    -0.19     2.91     8.24      71.98       0.59     3.51     16
   2       C    -0.08     2.23     5.61      30.59       0.17     2.40     16
   3       C     0.10    -2.45     1.86      44.99       0.08    -2.37     16
   4       H     0.16    -3.52     7.18      -2.38      -0.02    -3.54     16
   5       C     0.01    -0.44     5.41      29.85       0.16    -0.27     16
   6       C     0.52    -5.88     7.92      71.23       0.56    -5.32     16
   7       O    -0.25    -1.15    12.46      19.04       0.24    -0.92     16
   8       O    -0.21     0.65    18.00      19.03       0.34     0.99     16
   9       N    -1.00    18.06     4.26    -169.39      -0.72    17.34     16
  10       S     2.74     2.76     5.52     -56.49      -0.31     2.45     16
  11       O    -0.94    -7.89    17.28    -128.00      -2.21   -10.10     16
  12       O    -0.91    -2.23    12.85    -128.00      -1.64    -3.87     16
  13       C    -0.71   -13.22     3.86      22.27       0.09   -13.13     16
  14       C     0.04     1.11     8.62      22.27       0.19     1.30     16
  15       C    -0.18    -9.51     8.62      22.27       0.19    -9.32     16
  16       C     0.48    34.96     4.82      22.27       0.11    35.06     16
  17       F    -0.28   -33.32    16.66      44.97       0.75   -32.57     16
  18       F    -0.60   -65.80    15.31      44.97       0.69   -65.12     16
  19       F    -0.59   -64.71    15.32      44.97       0.69   -64.02     16
  20       F    -0.61   -68.07    15.32      44.97       0.69   -67.38     16
  21       F    -0.57   -61.04    15.31      44.97       0.69   -60.35     16
  22       C    -0.19   -10.72     8.62      22.27       0.19   -10.53     16
  23       C     0.04     1.27     8.48      22.27       0.19     1.46     16
  24       H     0.07    -0.79     7.45      -2.39      -0.02    -0.80     16
  25       H     0.06    -0.71     6.15      -2.38      -0.01    -0.72     16
  26       H     0.09    -1.46     8.14      -2.39      -0.02    -1.48     16
  27       H     0.16    -5.63     8.14      -2.39      -0.02    -5.65     16
  28       H     0.15    -5.31     8.14      -2.38      -0.02    -5.33     16
  29       H     0.26   -11.40     8.14      -2.39      -0.02   -11.42     16
  30       H     0.27   -12.58     8.14      -2.38      -0.02   -12.59     16
  31       H     0.46   -12.62     8.89     -96.74      -0.86   -13.48     16
  32       H     0.23     2.01     7.62      -2.91      -0.02     1.99     16
  33       H     0.13     7.93     7.40      -2.91      -0.02     7.91     16
  34       H     0.12     7.91     7.40      -2.91      -0.02     7.88     16
  35       H     0.21     3.82     7.62      -2.91      -0.02     3.80     16
 Total:         -1.00  -314.83   320.77                  0.63  -314.20