REAL300009356171.mol2 32                                                        
   1       O    -0.68   -21.92    17.23     -20.51      -0.35   -22.27     16
   2       C     0.52    15.59     8.01      34.63       0.28    15.87     16
   3       O    -0.67   -22.22    17.23     -20.51      -0.35   -22.58     16
   4       C    -0.10    -2.25     5.88    -104.94      -0.62    -2.86     16
   5       C    -0.07    -1.36     9.58     -39.20      -0.38    -1.73     16
   6       C    -0.10    -1.43     8.50     -39.25      -0.33    -1.76     16
   7       C    -0.12    -1.83     5.40    -104.86      -0.57    -2.39     16
   8       C     0.59     7.75     6.83     -12.24      -0.08     7.67     16
   9       O    -0.49    -7.92    15.82       5.34       0.08    -7.83     16
  10       N    -0.62    -5.40     3.33    -171.56      -0.57    -5.98     16
  11       C     0.10     0.53     5.68      -3.07      -0.02     0.51     16
  12       C    -0.17    -0.73     6.17     -24.91      -0.15    -0.89     16
  13       C     0.37     2.34     6.78     -24.58      -0.17     2.17     16
  14       O    -0.71   -10.88    17.76     -57.73      -1.03   -11.90     16
  15       O    -0.72   -10.38    16.58     -57.73      -0.96   -11.34     16
  16       C     0.07     0.52     6.86      -2.53      -0.02     0.50     16
  17       C    -0.06    -1.00     6.24     -39.16      -0.24    -1.24     16
  18       Br   -0.04    -0.70    31.55     -68.01      -2.15    -2.84     16
  19       C    -0.06    -1.19     9.32     -39.16      -0.37    -1.55     16
  20       H     0.14     2.59     7.63     -52.49      -0.40     2.19     16
  21       H     0.13     1.28     6.07     -52.49      -0.32     0.96     16
  22       H     0.10     0.47     8.14     -51.93      -0.42     0.05     16
  23       H     0.10     0.49     6.05     -51.93      -0.31     0.18     16
  24       H     0.14     0.78     7.57     -51.93      -0.39     0.39     16
  25       H     0.13     0.29     8.14     -51.93      -0.42    -0.13     16
  26       H     0.18     0.47     8.14     -51.93      -0.42     0.05     16
  27       H     0.33     4.39     8.90      45.56       0.41     4.80     16
  28       H     0.33     4.23     8.90      45.56       0.41     4.64     16
  29       H     0.11     0.94     8.14     -51.93      -0.42     0.51     16
  30       H     0.12     1.01     8.08     -51.93      -0.42     0.59     16
  31       H     0.15     3.11     7.63     -52.49      -0.40     2.71     16
 Total:         -1.00   -42.41   298.16                 -6.62   -49.03