REAL300018279600.mol2 40                                                        
   1       O    -0.68   -10.37    13.73     -20.22      -0.28   -10.64     16
   2       C     0.50     6.68     7.74      36.00       0.28     6.96     16
   3       O    -0.67   -13.19    18.00     -20.23      -0.36   -13.55     16
   4       C    -0.21    -0.36     5.17     -27.88      -0.14    -0.51     16
   5       C     0.10    -0.33     1.82     -68.87      -0.13    -0.45     16
   6       N    -0.50     5.19     1.12    -109.22      -0.12     5.07     16
   7       H     0.41    -5.79     7.15     -39.29      -0.28    -6.07     16
   8       H     0.43    -4.60     7.05     -39.29      -0.28    -4.88     16
   9       C     0.04    -0.43     4.28      -4.97      -0.02    -0.46     16
  10       C    -0.13     1.51     5.38    -104.29      -0.56     0.95     16
  11       C    -0.06     0.78     9.66     -39.63      -0.38     0.40     16
  12       C    -0.10     1.37    10.04     -39.48      -0.40     0.97     16
  13       C    -0.05     0.58    10.03     -39.63      -0.40     0.18     16
  14       C    -0.11     1.04     9.75     -39.25      -0.38     0.66     16
  15       C     0.31    -2.55     9.71     -38.72      -0.38    -2.93     16
  16       O    -0.70     2.43    12.47     -57.73      -0.72     1.71     16
  17       O    -0.60     0.15    17.25     -57.73      -1.00    -0.84     16
  18       C    -0.11     0.06     4.40    -104.63      -0.46    -0.40     16
  19       C    -0.12     0.37     9.29     -39.58      -0.37     0.01     16
  20       C    -0.12     0.19    10.05     -39.59      -0.40    -0.21     16
  21       C    -0.08    -0.07     9.79     -39.55      -0.39    -0.45     16
  22       C    -0.09    -0.30     6.22     -39.52      -0.25    -0.55     16
  23       Br   -0.04    -0.16    33.70     -68.01      -2.29    -2.45     16
  24       C    -0.01    -0.04     7.92     -39.56      -0.31    -0.35     16
  25       H     0.08     0.02     8.12     -51.93      -0.42    -0.40     16
  26       H     0.08    -0.11     6.24     -51.93      -0.32    -0.43     16
  27       H     0.15    -0.17     7.51     -51.93      -0.39    -0.56     16
  28       H     0.17    -1.27     5.64     -51.93      -0.29    -1.57     16
  29       H     0.14    -1.75     6.29     -51.93      -0.33    -2.08     16
  30       H     0.18    -2.74     8.03     -52.49      -0.42    -3.16     16
  31       H     0.17    -2.44     8.06     -52.49      -0.42    -2.86     16
  32       H     0.17    -2.41     8.06     -52.49      -0.42    -2.84     16
  33       H     0.18    -1.56     7.77     -52.48      -0.41    -1.97     16
  34       H     0.35    -1.10     8.90      45.56       0.41    -0.69     16
  35       H     0.35    -0.73     8.90      45.56       0.41    -0.32     16
  36       H     0.12    -0.96     6.76     -52.48      -0.35    -1.32     16
  37       H     0.14    -0.56     8.06     -52.49      -0.42    -0.98     16
  38       H     0.14    -0.06     8.06     -52.49      -0.42    -0.48     16
  39       H     0.16     0.95     6.82     -52.49      -0.36     0.59     16
 Total:          0.00   -32.74   344.95                 -8.99   -41.73