REAL300019972900.mol2 34                                                        
   1       O    -0.48    -7.31    14.02       5.34       0.07    -7.23     16
   2       C     0.56     5.64     7.51     -12.24      -0.09     5.55     16
   3       N    -0.66    -5.90     5.28     -10.69      -0.06    -5.96     16
   4       C     0.14     1.88     6.27     -83.77      -0.53     1.35     16
   5       C    -0.13    -1.59     9.69     -39.31      -0.38    -1.97     16
   6       C    -0.07    -1.03     6.22     -39.59      -0.25    -1.28     16
   7       Br   -0.05    -0.68    33.69     -68.01      -2.29    -2.97     16
   8       C    -0.08    -1.52     9.43     -39.20      -0.37    -1.89     16
   9       C     0.08     1.62     5.87    -104.92      -0.62     1.00     16
  10       C     0.07     2.04     7.93    -156.43      -1.24     0.80     16
  11       N    -0.36   -10.58    12.15      32.14       0.39   -10.19     16
  12       N    -0.19    -5.77    13.46      60.35       0.81    -4.96     16
  13       N    -0.19    -5.74    13.45      60.35       0.81    -4.92     16
  14       N    -0.37   -10.64    12.15      32.14       0.39   -10.24     16
  15       C    -0.09    -1.59     8.30     -39.06      -0.32    -1.92     16
  16       C    -0.12    -0.74     5.88    -104.89      -0.62    -1.36     16
  17       C    -0.05    -0.16     9.53     -39.23      -0.37    -0.53     16
  18       C    -0.11    -0.57     9.74     -39.30      -0.38    -0.96     16
  19       C     0.34     2.74     9.79     -38.75      -0.38     2.36     16
  20       O    -0.66    -9.63    17.23     -57.73      -0.99   -10.63     16
  21       O    -0.67    -9.53    17.23     -57.73      -0.99   -10.52     16
  22       C    -0.11    -0.71     9.74     -39.31      -0.38    -1.09     16
  23       C    -0.01    -0.08     9.58     -39.23      -0.38    -0.46     16
  24       H     0.41     1.71     6.86     -40.82      -0.28     1.43     16
  25       H     0.13     1.16     8.06     -52.49      -0.42     0.73     16
  26       H     0.14     2.75     7.88     -52.49      -0.41     2.34     16
  27       H     0.15     3.03     6.23     -52.49      -0.33     2.70     16
  28       H     0.17    -0.01     6.40     -52.49      -0.34    -0.35     16
  29       H     0.18     0.79     7.75     -52.49      -0.41     0.38     16
  30       H     0.34     3.93     8.90      45.56       0.41     4.33     16
  31       H     0.33     3.86     8.90      45.56       0.41     4.27     16
  32       H     0.18     1.10     7.75     -52.49      -0.41     0.69     16
  33       H     0.18     1.05     7.64     -52.49      -0.40     0.65     16
 Total:         -1.00   -40.48   330.52                 -5.37   -45.84