REAL300019840829.mol2 34                                                        
   1       O    -0.52    -7.71    13.76       5.34       0.07    -7.63     16
   2       C     0.56     7.63     7.62     -12.23      -0.09     7.53     16
   3       N    -0.64    -9.88     4.68     -10.48      -0.05    -9.93     16
   4       C     0.17     2.82     6.31     -83.46      -0.53     2.29     16
   5       C    -0.11    -1.69     8.69     -39.43      -0.34    -2.04     16
   6       C    -0.09    -1.18     9.77     -39.53      -0.39    -1.57     16
   7       C    -0.10    -1.49     6.22     -39.54      -0.25    -1.74     16
   8       Br   -0.06    -0.78    33.69     -68.01      -2.29    -3.07     16
   9       C    -0.06    -1.01     9.43     -39.26      -0.37    -1.38     16
  10       C     0.03     0.55     5.89    -104.72      -0.62    -0.07     16
  11       C     0.08     2.04     7.87    -156.43      -1.23     0.81     16
  12       N    -0.39    -9.33     9.75      32.13       0.31    -9.02     16
  13       N    -0.18    -4.77    13.45      60.35       0.81    -3.95     16
  14       N    -0.18    -5.01    13.45      60.35       0.81    -4.20     16
  15       N    -0.36    -9.56    12.15      32.13       0.39    -9.17     16
  16       C    -0.12    -1.27     5.88    -104.89      -0.62    -1.88     16
  17       C    -0.02    -0.14     9.58     -39.23      -0.38    -0.52     16
  18       C    -0.12    -1.05     9.74     -39.30      -0.38    -1.43     16
  19       C     0.34     3.98     9.79     -38.76      -0.38     3.60     16
  20       O    -0.66   -11.58    17.23     -57.73      -0.99   -12.57     16
  21       O    -0.68   -11.51    17.23     -57.73      -0.99   -12.50     16
  22       C    -0.11    -1.15     9.74     -39.30      -0.38    -1.53     16
  23       C    -0.03    -0.31     9.53     -39.22      -0.37    -0.68     16
  24       H     0.43     6.69     4.54     -40.82      -0.19     6.50     16
  25       H     0.15     2.02     6.21     -52.49      -0.33     1.70     16
  26       H     0.13     1.47     8.06     -52.49      -0.42     1.04     16
  27       H     0.14     2.67     7.88     -52.49      -0.41     2.25     16
  28       H     0.18     1.19     7.64     -52.49      -0.40     0.79     16
  29       H     0.18     1.41     7.75     -52.48      -0.41     1.01     16
  30       H     0.33     4.78     8.90      45.56       0.41     5.19     16
  31       H     0.33     4.67     8.90      45.56       0.41     5.08     16
  32       H     0.18     1.84     7.75     -52.49      -0.41     1.43     16
  33       H     0.18     1.87     6.40     -52.49      -0.34     1.53     16
 Total:         -1.00   -33.77   325.48                 -5.43   -39.20