REAL300010613807.mol2 38                                                        
   1       C    -0.06     0.80     8.29      60.07       0.50     1.30     16
   2       N    -0.36     3.33     0.14    -239.13      -0.03     3.30     16
   3       H     0.43    -3.61     6.51     -39.29      -0.26    -3.86     16
   4       C     0.04    -0.42     4.52      -4.97      -0.02    -0.44     16
   5       C    -0.10     0.98     4.73    -104.62      -0.49     0.49     16
   6       C    -0.08     1.08     7.83     -39.58      -0.31     0.77     16
   7       C    -0.07     0.79    10.05     -39.58      -0.40     0.39     16
   8       C    -0.08     0.61     8.62     -39.59      -0.34     0.27     16
   9       C     0.35    -1.21     4.82     -39.59      -0.19    -1.40     16
  10       F     0.02     0.15    16.66       2.25       0.04     0.19     16
  11       F    -0.24    -1.10    15.31       2.25       0.03    -1.06     16
  12       F    -0.22    -1.07    15.31       2.25       0.03    -1.04     16
  13       F    -0.12    -0.40    15.32       2.25       0.03    -0.36     16
  14       F    -0.15    -0.81    15.31       2.25       0.03    -0.78     16
  15       C    -0.09     0.50     8.28     -39.58      -0.33     0.17     16
  16       C     0.01    -0.04     1.95     -70.01      -0.14    -0.18     16
  17       C     0.50     3.24     5.96      36.01       0.21     3.45     16
  18       O    -0.66    -6.06    16.25     -20.23      -0.33    -6.39     16
  19       O    -0.63    -8.06    18.00     -20.22      -0.36    -8.43     16
  20       C    -0.11     0.25     3.62    -106.25      -0.38    -0.14     16
  21       C    -0.22     0.59     9.44      29.04       0.27     0.86     16
  22       S     0.15    -0.32    23.34    -107.50      -2.51    -2.83     16
  23       C    -0.20     0.44    11.23      29.03       0.33     0.77     16
  24       C    -0.12     0.23     9.95     -41.21      -0.41    -0.18     16
  25       H     0.12    -1.92     8.11     -51.93      -0.42    -2.34     16
  26       H     0.12    -1.55     6.33     -51.93      -0.33    -1.88     16
  27       H     0.11    -1.81     5.92     -51.93      -0.31    -2.12     16
  28       H     0.16    -0.85     6.15     -51.93      -0.32    -1.17     16
  29       H     0.15    -1.96     8.03     -51.93      -0.42    -2.38     16
  30       H     0.17    -2.80     7.93     -52.49      -0.42    -3.22     16
  31       H     0.18    -2.61     8.06     -52.49      -0.42    -3.04     16
  32       H     0.18    -1.29     7.40     -52.48      -0.39    -1.68     16
  33       H     0.19    -0.70     7.40     -52.49      -0.39    -1.09     16
  34       H     0.14    -0.76     8.09     -51.93      -0.42    -1.18     16
  35       H     0.16    -0.72     7.14     -52.49      -0.37    -1.10     16
  36       H     0.17    -0.66     8.06     -52.48      -0.42    -1.08     16
  37       H     0.15    -0.42     8.06     -52.48      -0.42    -0.84     16
 Total:          0.00   -28.18   338.09                 -4.97   -33.16