REAL300007754593.mol2 36                                                        
   1       C    -0.02     0.56     9.51     127.77       1.22     1.77     16
   2       N    -0.74    11.58     2.76    -498.59      -1.38    10.20     16
   3       C     0.22    -4.13     0.95       2.86       0.00    -4.12     16
   4       C    -0.18     5.48     7.07      71.98       0.51     5.99     16
   5       C    -0.21     3.40     7.44      71.98       0.54     3.93     16
   6       C     0.56    -5.11     5.91      71.24       0.42    -4.69     16
   7       O    -0.36     0.69    15.38      25.46       0.39     1.09     16
   8       O    -0.31     1.79    17.71      19.03       0.34     2.13     16
   9       S     2.68     0.15     4.42     -56.49      -0.25    -0.10     16
  10       O    -0.88    -3.45    16.75    -128.00      -2.14    -5.59     16
  11       O    -0.90    -3.43    12.43    -119.70      -1.49    -4.92     16
  12       C    -0.71    -9.95     5.94      22.27       0.13    -9.82     16
  13       C     0.04     0.94     8.68      22.27       0.19     1.13     16
  14       C    -0.17    -8.77     8.62      22.27       0.19    -8.58     16
  15       C     0.48    32.76     4.82      22.27       0.11    32.86     16
  16       F    -0.27   -31.36    16.67      44.97       0.75   -30.61     16
  17       F    -0.57   -59.30    15.30      44.97       0.69   -58.61     16
  18       F    -0.60   -64.32    15.32      44.97       0.69   -63.63     16
  19       F    -0.60   -64.79    15.32      44.97       0.69   -64.10     16
  20       F    -0.58   -59.71    15.30      44.97       0.69   -59.02     16
  21       C    -0.18    -8.86     8.62      22.27       0.19    -8.67     16
  22       C     0.05     1.11     9.52      22.27       0.21     1.33     16
  23       H     0.20    -6.02     8.14      -2.39      -0.02    -6.04     16
  24       H     0.16    -3.78     7.95      -2.39      -0.02    -3.80     16
  25       H     0.20    -6.94     5.68      -2.39      -0.01    -6.95     16
  26       H     0.21    -7.62     7.21      -2.39      -0.02    -7.63     16
  27       H     0.15    -4.74     8.09      -2.38      -0.02    -4.76     16
  28       H     0.15    -5.32     7.54      -2.39      -0.02    -5.34     16
  29       H     0.11    -1.18     4.47      -2.39      -0.01    -1.19     16
  30       H     0.19    -4.16     8.14      -2.39      -0.02    -4.18     16
  31       H     0.18    -3.38     8.11      -2.39      -0.02    -3.39     16
  32       H     0.22     1.84     6.13      -2.91      -0.02     1.82     16
  33       H     0.13     7.90     7.40      -2.91      -0.02     7.88     16
  34       H     0.13     7.83     7.40      -2.91      -0.02     7.81     16
  35       H     0.23     1.45     7.76      -2.91      -0.02     1.43     16
 Total:         -1.00  -288.84   318.47                  2.45  -286.39