REAL300018430249.mol2 40                                                        
   1       O    -0.63    -7.27    18.00     -20.23      -0.36    -7.64     16
   2       C     0.49     2.55     6.11      36.01       0.22     2.77     16
   3       O    -0.67    -4.95    16.46     -20.22      -0.33    -5.28     16
   4       C    -0.05     0.18     2.26     -68.86      -0.16     0.03     16
   5       C    -0.09     0.35     4.41     -27.88      -0.12     0.23     16
   6       C    -0.09     0.47     4.42    -104.60      -0.46     0.01     16
   7       C    -0.13     0.93     8.80     -39.59      -0.35     0.58     16
   8       C    -0.10     0.65    10.05     -39.58      -0.40     0.25     16
   9       C    -0.11     0.61    10.05     -39.59      -0.40     0.22     16
  10       C    -0.08     0.37     9.79     -39.56      -0.39    -0.02     16
  11       C    -0.09     0.33     6.22     -39.52      -0.25     0.08     16
  12       Br   -0.02     0.02    30.91     -68.01      -2.10    -2.08     16
  13       N    -0.49     4.98     1.50    -109.22      -0.16     4.81     16
  14       H     0.41    -5.52     6.94     -39.29      -0.27    -5.79     16
  15       H     0.43    -4.69     7.98     -39.29      -0.31    -5.00     16
  16       C     0.05    -0.47     5.21      -4.97      -0.03    -0.50     16
  17       C    -0.14     1.49     5.36    -104.52      -0.56     0.93     16
  18       C    -0.04     0.38     9.68     -39.63      -0.38     0.00     16
  19       C    -0.11     0.60     9.75     -39.25      -0.38     0.22     16
  20       C     0.33    -1.03     9.79     -38.73      -0.38    -1.41     16
  21       O    -0.65    -3.23    17.25     -57.73      -1.00    -4.23     16
  22       O    -0.65    -3.35    17.25     -57.73      -1.00    -4.34     16
  23       C    -0.11     0.72     9.75     -39.25      -0.38     0.34     16
  24       C    -0.06     0.58     9.68     -39.63      -0.38     0.20     16
  25       H     0.13    -0.55     7.02     -51.93      -0.36    -0.91     16
  26       H     0.10    -0.50     8.00     -51.93      -0.42    -0.92     16
  27       H     0.13    -0.07     7.13     -51.93      -0.37    -0.44     16
  28       H     0.13    -1.30     8.04     -52.49      -0.42    -1.72     16
  29       H     0.14    -1.09     8.06     -52.48      -0.42    -1.52     16
  30       H     0.14    -0.94     8.06     -52.49      -0.42    -1.37     16
  31       H     0.14    -0.67     8.06     -52.49      -0.42    -1.10     16
  32       H     0.16    -1.12     6.67     -51.93      -0.35    -1.47     16
  33       H     0.14    -1.71     8.05     -51.93      -0.42    -2.12     16
  34       H     0.18    -1.74     8.06     -52.48      -0.42    -2.16     16
  35       H     0.18    -0.87     7.77     -52.49      -0.41    -1.28     16
  36       H     0.34     0.92     8.90      45.56       0.41     1.33     16
  37       H     0.34     0.96     8.90      45.56       0.41     1.37     16
  38       H     0.18    -1.08     7.77     -52.49      -0.41    -1.49     16
  39       H     0.17    -2.31     8.06     -52.49      -0.42    -2.73     16
 Total:          0.00   -27.34   356.19                 -9.43   -36.76