REAL300019926220.mol2 34                                                        
   1       O    -0.52    -8.02    13.76       5.33       0.07    -7.95     16
   2       C     0.56     7.84     7.62     -12.24      -0.09     7.75     16
   3       N    -0.64   -10.04     4.68     -10.49      -0.05   -10.09     16
   4       C     0.15     2.65     6.30     -83.48      -0.53     2.13     16
   5       C    -0.09    -1.42     8.42     -39.40      -0.33    -1.76     16
   6       C    -0.09    -1.26     6.22     -39.49      -0.25    -1.50     16
   7       Br   -0.06    -0.73    33.69     -68.01      -2.29    -3.02     16
   8       C    -0.10    -1.42     9.76     -39.57      -0.39    -1.80     16
   9       C    -0.08    -1.38     9.69     -39.29      -0.38    -1.76     16
  10       C     0.04     0.79     5.89    -104.72      -0.62     0.17     16
  11       C     0.08     1.94     7.88    -156.41      -1.23     0.71     16
  12       N    -0.39    -9.25     9.75      32.13       0.31    -8.94     16
  13       N    -0.18    -4.73    13.45      60.35       0.81    -3.92     16
  14       N    -0.18    -4.96    13.45      60.35       0.81    -4.15     16
  15       N    -0.36    -9.39    12.15      32.13       0.39    -9.00     16
  16       C    -0.12    -1.29     5.88    -104.90      -0.62    -1.91     16
  17       C    -0.02    -0.15     9.58     -39.23      -0.38    -0.52     16
  18       C    -0.12    -1.08     9.74     -39.30      -0.38    -1.46     16
  19       C     0.34     4.04     9.79     -38.76      -0.38     3.66     16
  20       O    -0.68   -11.60    17.23     -57.73      -0.99   -12.59     16
  21       O    -0.66   -11.65    17.23     -57.73      -0.99   -12.65     16
  22       C    -0.11    -1.16     9.73     -39.31      -0.38    -1.55     16
  23       C    -0.03    -0.32     9.53     -39.22      -0.37    -0.69     16
  24       H     0.43     6.76     4.54     -40.82      -0.19     6.57     16
  25       H     0.15     2.29     6.21     -52.49      -0.33     1.96     16
  26       H     0.13     1.54     8.06     -52.49      -0.42     1.12     16
  27       H     0.14     2.41     7.88     -52.49      -0.41     1.99     16
  28       H     0.18     1.26     7.64     -52.49      -0.40     0.86     16
  29       H     0.18     1.45     7.75     -52.49      -0.41     1.05     16
  30       H     0.33     4.71     8.90      45.56       0.41     5.12     16
  31       H     0.33     4.82     8.90      45.56       0.41     5.22     16
  32       H     0.18     1.86     7.75     -52.48      -0.41     1.45     16
  33       H     0.18     1.89     6.40     -52.49      -0.34     1.55     16
 Total:         -1.00   -33.62   325.48                 -5.43   -39.06