REAL300009850734.mol2 37                                                        
   1       O    -0.67   -21.41    17.33     -20.51      -0.36   -21.77     16
   2       C     0.52    15.26     7.98      34.61       0.28    15.54     16
   3       O    -0.65   -19.98    14.85     -26.46      -0.39   -20.37     16
   4       C    -0.14    -3.22     5.91    -104.54      -0.62    -3.84     16
   5       C    -0.01    -0.28     9.47     -38.83      -0.37    -0.64     16
   6       C    -0.15    -2.27     6.25     -39.29      -0.25    -2.52     16
   7       Br   -0.04    -0.53    33.73     -68.01      -2.29    -2.82     16
   8       C     0.12     1.80    10.93     -17.46      -0.19     1.61     16
   9       N    -0.46    -7.95     9.24      -9.45      -0.09    -8.04     16
  10       C     0.12     2.49     4.93     -82.60      -0.41     2.09     16
  11       C     0.62    12.53     4.96     -12.11      -0.06    12.47     16
  12       O    -0.50   -11.86    15.92     -12.68      -0.20   -12.06     16
  13       N    -0.61    -8.88     2.24    -173.44      -0.39    -9.27     16
  14       C     0.10     1.08     5.94      -2.94      -0.02     1.06     16
  15       C    -0.12    -0.77     5.71     -27.30      -0.16    -0.93     16
  16       C    -0.16    -1.46     4.61     -28.02      -0.13    -1.59     16
  17       C     0.34     3.42     4.65     -29.79      -0.14     3.28     16
  18       O    -0.75   -15.06    17.84     -57.73      -1.03   -16.09     16
  19       O    -0.65   -12.82    16.84     -57.73      -0.97   -13.79     16
  20       C    -0.21    -2.21     5.74     -28.56      -0.16    -2.37     16
  21       C     0.16     1.79     5.35      -4.06      -0.02     1.77     16
  22       H     0.16     3.04     7.74     -52.48      -0.41     2.63     16
  23       H     0.17     1.85     8.06     -52.48      -0.42     1.43     16
  24       H     0.08     0.83     8.14     -51.93      -0.42     0.40     16
  25       H     0.09     1.15     5.61     -51.93      -0.29     0.86     16
  26       H     0.08     0.31     7.32     -51.93      -0.38    -0.07     16
  27       H     0.11     0.51     8.14     -51.93      -0.42     0.08     16
  28       H     0.12     1.15     7.91     -51.93      -0.41     0.74     16
  29       H     0.11     1.30     7.48     -51.93      -0.39     0.91     16
  30       H     0.13     0.70     7.35     -51.93      -0.38     0.31     16
  31       H     0.29     4.52     9.01      45.56       0.41     4.93     16
  32       H     0.34     6.31     9.20      45.56       0.42     6.73     16
  33       H     0.11     1.59     8.14     -51.93      -0.42     1.17     16
  34       H     0.12     1.11     8.14     -51.93      -0.42     0.69     16
  35       H     0.09     0.65     8.06     -51.93      -0.42     0.23     16
  36       H     0.13     1.82     7.38     -51.93      -0.38     1.44     16
 Total:         -1.00   -43.48   328.09                 -7.36   -50.85