REAL300008143600.mol2 39                                                        
   1       C    -0.15     1.61     9.91      71.98       0.71     2.33     16
   2       C    -0.15     2.00     4.37      30.59       0.13     2.14     16
   3       C    -0.08     2.24     4.88      30.59       0.15     2.39     16
   4       C     0.10    -2.41     1.83      44.99       0.08    -2.33     16
   5       H     0.15    -3.22     6.43      -2.38      -0.02    -3.24     16
   6       C     0.02    -0.57     5.43      29.85       0.16    -0.41     16
   7       C     0.52    -5.83     7.87      71.24       0.56    -5.27     16
   8       O    -0.24    -1.31    12.16      19.08       0.23    -1.08     16
   9       O    -0.19     0.74    18.00      19.02       0.34     1.08     16
  10       N    -1.01    17.88     4.38    -169.38      -0.74    17.14     16
  11       S     2.74     3.96     5.55     -56.49      -0.31     3.65     16
  12       O    -0.95    -8.14    17.21    -128.00      -2.20   -10.34     16
  13       O    -0.92    -3.11    13.29    -128.00      -1.70    -4.81     16
  14       C    -0.70   -13.17     3.68      22.27       0.08   -13.09     16
  15       C     0.04     1.08     7.95      22.27       0.18     1.25     16
  16       C    -0.18    -9.36     8.62      22.27       0.19    -9.17     16
  17       C     0.48    34.84     4.82      22.27       0.11    34.95     16
  18       F    -0.28   -33.45    16.66      44.97       0.75   -32.70     16
  19       F    -0.60   -64.47    15.31      44.97       0.69   -63.78     16
  20       F    -0.59   -65.45    15.31      44.97       0.69   -64.77     16
  21       F    -0.59   -66.26    15.31      44.97       0.69   -65.57     16
  22       F    -0.59   -62.46    15.32      44.97       0.69   -61.77     16
  23       C    -0.18   -10.49     8.62      22.27       0.19   -10.30     16
  24       C     0.04     1.24     8.56      22.27       0.19     1.43     16
  25       H     0.04    -0.17     8.14      -2.39      -0.02    -0.19     16
  26       H     0.07    -0.92     8.14      -2.39      -0.02    -0.94     16
  27       H     0.07    -0.85     8.14      -2.39      -0.02    -0.87     16
  28       H     0.07    -0.75     6.04      -2.39      -0.01    -0.76     16
  29       H     0.08    -0.76     7.71      -2.39      -0.02    -0.77     16
  30       H     0.16    -5.34     8.14      -2.39      -0.02    -5.35     16
  31       H     0.15    -5.18     8.14      -2.39      -0.02    -5.20     16
  32       H     0.27   -11.52     8.14      -2.39      -0.02   -11.54     16
  33       H     0.27   -12.56     8.14      -2.39      -0.02   -12.57     16
  34       H     0.46   -12.53     8.91     -96.74      -0.86   -13.39     16
  35       H     0.23     1.91     7.48      -2.91      -0.02     1.89     16
  36       H     0.13     7.98     7.40      -2.91      -0.02     7.96     16
  37       H     0.12     7.78     7.40      -2.91      -0.02     7.76     16
  38       H     0.21     3.86     7.55      -2.91      -0.02     3.84     16
 Total:         -1.00  -313.12   340.97                  0.73  -312.40