REAL300009850882.mol2 28                                                        
   1       O    -0.66   -23.26    17.99     -22.76      -0.41   -23.67     15
   2       C     0.54    17.12     4.96      34.61       0.17    17.29     15
   3       O    -0.67   -23.02    17.81     -24.69      -0.44   -23.46     15
   4       C    -0.08    -2.04     5.76    -104.53      -0.60    -2.65     15
   5       C    -0.04    -0.78     9.70     -38.83      -0.38    -1.16     15
   6       C    -0.12    -1.87     6.25     -39.29      -0.25    -2.12     15
   7       Br   -0.04    -0.46    33.73     -68.01      -2.29    -2.75     15
   8       C     0.11     1.50    10.93     -17.47      -0.19     1.31     15
   9       N    -0.46    -7.21     9.55      -9.45      -0.09    -7.30     15
  10       C     0.09     1.78     6.79     -82.60      -0.56     1.22     15
  11       C     0.57    11.49     7.79     -12.11      -0.09    11.39     15
  12       O    -0.45   -11.46    13.80     -11.23      -0.15   -11.62     15
  13       N    -0.70    -8.90     5.55     -54.60      -0.30    -9.20     15
  14       C     0.11     1.20     6.19     -67.94      -0.42     0.78     15
  15       H     0.19     2.84     7.37     -51.93      -0.38     2.45     15
  16       C    -0.16    -1.07    10.34     -26.74      -0.28    -1.35     15
  17       C     0.29     2.73     9.85     -26.73      -0.26     2.47     15
  18       H     0.19     0.95     8.14     -51.93      -0.42     0.53     15
  19       O    -0.72   -13.83    17.78     -57.73      -1.03   -14.85     15
  20       O    -0.70   -13.24    17.46     -57.73      -1.01   -14.25     15
  21       H     0.15     2.83     8.06     -52.49      -0.42     2.40     15
  22       H     0.17     1.66     8.06     -52.48      -0.42     1.23     15
  23       H     0.41     3.77     8.18     -40.82      -0.33     3.43     15
  24       H     0.15     0.39     8.14     -51.93      -0.42    -0.03     15
  25       H     0.17     1.16     8.14     -51.93      -0.42     0.74     15
  26       H     0.32     5.50     8.90      45.56       0.41     5.91     15
  27       H     0.33     5.52     8.90      45.56       0.41     5.93     15
 Total:         -1.00   -46.71   286.12                 -6.29   -53.00