REAL300010613824.mol2 38                                                        
   1       C    -0.07     1.11     8.32      60.07       0.50     1.61     16
   2       N    -0.39     7.47     0.47    -245.82      -0.12     7.36     16
   3       H     0.43    -8.60     8.30     -39.29      -0.33    -8.93     16
   4       C     0.09    -1.43     5.11      -4.98      -0.03    -1.46     16
   5       C    -0.33     2.36     5.01     -36.20      -0.18     2.18     16
   6       C    -0.01     0.01     9.95     -38.99      -0.39    -0.38     16
   7       C    -0.16    -1.29     5.98    -104.68      -0.63    -1.91     16
   8       C     0.53     9.59     8.02      34.16       0.27     9.86     16
   9       O    -0.68   -14.12    17.70     -20.63      -0.37   -14.49     16
  10       O    -0.67   -15.12    17.62     -20.63      -0.36   -15.49     16
  11       C    -0.17    -0.80    10.54      30.04       0.32    -0.48     16
  12       S     0.14    -0.51    21.36    -107.50      -2.30    -2.81     16
  13       C     0.04    -0.94     4.81      -4.97      -0.02    -0.96     16
  14       C    -0.11     1.98     4.72    -104.62      -0.49     1.48     16
  15       C    -0.07     1.30     9.70     -39.59      -0.38     0.91     16
  16       C    -0.06     0.90    10.05     -39.59      -0.40     0.50     16
  17       C    -0.08     0.90     8.62     -39.58      -0.34     0.56     16
  18       C     0.35    -3.05     4.82     -39.58      -0.19    -3.24     16
  19       F     0.04     0.10    16.66       2.25       0.04     0.14     16
  20       F    -0.11     0.05    15.31       2.25       0.03     0.08     16
  21       F    -0.18     0.18    15.31       2.25       0.03     0.21     16
  22       F    -0.22    -0.10    15.31       2.25       0.03    -0.06     16
  23       F    -0.23     0.09    15.31       2.25       0.03     0.12     16
  24       C    -0.09     1.26     6.41     -39.58      -0.25     1.00     16
  25       H     0.13    -1.88     5.82     -51.93      -0.30    -2.18     16
  26       H     0.13    -2.36     8.08     -51.93      -0.42    -2.78     16
  27       H     0.12    -2.03     5.94     -51.93      -0.31    -2.34     16
  28       H     0.14    -2.59     8.02     -51.93      -0.42    -3.01     16
  29       H     0.14    -2.40     8.09     -51.93      -0.42    -2.82     16
  30       H     0.15    -0.23     8.06     -52.49      -0.42    -0.66     16
  31       H     0.18     1.11     8.02     -52.49      -0.42     0.69     16
  32       H     0.15    -3.33     8.03     -51.93      -0.42    -3.74     16
  33       H     0.16    -3.69     7.97     -51.93      -0.41    -4.11     16
  34       H     0.17    -3.50     8.06     -52.49      -0.42    -3.92     16
  35       H     0.19    -3.10     8.06     -52.48      -0.42    -3.52     16
  36       H     0.18    -1.92     7.40     -52.49      -0.39    -2.30     16
  37       H     0.18    -2.56     7.30     -52.48      -0.38    -2.94     16
 Total:          0.00   -47.16   344.26                 -5.48   -52.64