REAL300009850782.mol2 38                                                        
   1       O    -0.68   -22.52    17.23     -20.51      -0.35   -22.87     16
   2       C     0.52    15.79     8.01      34.64       0.28    16.07     16
   3       O    -0.68   -22.13    17.23     -20.51      -0.35   -22.48     16
   4       C    -0.10    -2.32     5.88    -104.93      -0.62    -2.94     16
   5       C    -0.08    -1.48     9.58     -39.20      -0.38    -1.86     16
   6       C    -0.12    -1.65     7.38     -39.25      -0.29    -1.94     16
   7       C    -0.13    -2.01     5.47    -104.86      -0.57    -2.58     16
   8       C     0.56     7.95     7.23     -12.24      -0.09     7.86     16
   9       O    -0.51    -8.55    13.77       5.34       0.07    -8.48     16
  10       N    -0.61    -6.02     2.97    -173.80      -0.52    -6.53     16
  11       C     0.09     0.56     4.73      -3.71      -0.02     0.55     16
  12       C    -0.12    -0.36     5.36     -26.61      -0.14    -0.51     16
  13       C    -0.15    -0.61     1.90     -90.58      -0.17    -0.78     16
  14       C     0.38     1.37     8.86      37.16       0.33     1.70     16
  15       O    -0.73   -11.14    17.78     -57.73      -1.03   -12.16     16
  16       O    -0.71    -9.80    16.07     -57.73      -0.93   -10.73     16
  17       C    -0.13    -0.89     5.34     -26.61      -0.14    -1.03     16
  18       C     0.12     1.00     6.44      -3.71      -0.02     0.97     16
  19       C    -0.05    -0.99     6.24     -39.16      -0.24    -1.24     16
  20       Br   -0.04    -0.64    30.86     -68.01      -2.10    -2.74     16
  21       C    -0.06    -1.32     9.32     -39.17      -0.37    -1.68     16
  22       H     0.14     2.58     7.63     -52.49      -0.40     2.18     16
  23       H     0.14     1.41     5.43     -52.49      -0.29     1.12     16
  24       H     0.13     0.99     4.04     -51.93      -0.21     0.78     16
  25       H     0.08     0.39     8.03     -51.93      -0.42    -0.03     16
  26       H     0.09     0.27     8.14     -51.93      -0.42    -0.15     16
  27       H     0.10     0.03     8.14     -51.93      -0.42    -0.39     16
  28       H     0.13     0.67     7.71     -51.93      -0.40     0.27     16
  29       H     0.14     0.15     8.14     -51.93      -0.42    -0.27     16
  30       H     0.14    -0.07     8.14     -51.93      -0.42    -0.49     16
  31       H     0.33     4.40     8.90      45.56       0.41     4.81     16
  32       H     0.33     4.12     8.90      45.56       0.41     4.53     16
  33       H     0.10     0.85     7.50     -51.93      -0.39     0.46     16
  34       H     0.07     0.49     8.14     -51.93      -0.42     0.07     16
  35       H     0.07     0.57     8.14     -51.93      -0.42     0.15     16
  36       H     0.10     1.06     6.99     -51.93      -0.36     0.70     16
  37       H     0.14     3.18     7.63     -52.49      -0.40     2.78     16
 Total:         -1.00   -44.67   329.29                 -7.28   -51.95