REAL300009356169.mol2 31                                                        
   1       O    -0.67   -23.18    18.00     -22.67      -0.41   -23.58     16
   2       C     0.54    17.12     4.97      34.62       0.17    17.29     16
   3       O    -0.66   -23.17    17.79     -24.83      -0.44   -23.61     16
   4       C    -0.08    -2.04     5.76    -104.53      -0.60    -2.64     16
   5       C    -0.04    -0.77     9.70     -38.83      -0.38    -1.14     16
   6       C    -0.12    -1.84     6.25     -39.29      -0.25    -2.08     16
   7       Br   -0.04    -0.46    33.73     -68.01      -2.29    -2.76     16
   8       C     0.10     1.41    10.93     -17.47      -0.19     1.22     16
   9       N    -0.46    -6.92     6.89      -9.46      -0.07    -6.99     16
  10       C     0.09     1.90     6.75     -82.60      -0.56     1.35     16
  11       C     0.59    12.04     7.82     -12.11      -0.09    11.95     16
  12       O    -0.45   -11.85    14.48     -11.41      -0.17   -12.02     16
  13       N    -0.62    -8.62     3.32    -171.32      -0.57    -9.19     16
  14       C     0.12     1.11     5.41      -3.07      -0.02     1.09     16
  15       C    -0.17    -1.22     6.21     -24.90      -0.15    -1.38     16
  16       C     0.38     3.56     6.88     -24.46      -0.17     3.39     16
  17       O    -0.70   -12.77    17.32     -57.73      -1.00   -13.77     16
  18       O    -0.73   -12.32    17.19     -57.73      -0.99   -13.31     16
  19       C     0.07     0.86     6.35      -2.41      -0.02     0.85     16
  20       H     0.15     2.80     8.06     -52.49      -0.42     2.37     16
  21       H     0.17     1.55     8.06     -52.48      -0.42     1.12     16
  22       H     0.10     0.83     7.28     -51.92      -0.38     0.45     16
  23       H     0.10     0.92     7.69     -51.93      -0.40     0.52     16
  24       H     0.12     0.56     8.14     -51.93      -0.42     0.14     16
  25       H     0.13     1.04     8.14     -51.93      -0.42     0.62     16
  26       H     0.18     0.93     8.14     -51.93      -0.42     0.51     16
  27       H     0.33     5.19     8.90      45.56       0.41     5.59     16
  28       H     0.32     4.93     8.90      45.56       0.41     5.34     16
  29       H     0.12     1.52     8.14     -51.93      -0.42     1.10     16
  30       H     0.12     1.64     8.03     -51.93      -0.42     1.22     16
 Total:         -1.00   -45.25   295.24                 -6.66   -51.91