REAL300009850780.mol2 37                                                        
   1       O    -0.67   -22.11    17.33     -20.52      -0.36   -22.46     16
   2       C     0.52    15.83     7.98      34.61       0.28    16.11     16
   3       O    -0.65   -20.42    14.83     -26.51      -0.39   -20.82     16
   4       C    -0.14    -3.52     5.91    -104.53      -0.62    -4.14     16
   5       C    -0.02    -0.33     9.47     -38.83      -0.37    -0.69     16
   6       C    -0.15    -2.51     6.25     -39.29      -0.25    -2.76     16
   7       Br   -0.04    -0.61    33.73     -68.01      -2.29    -2.91     16
   8       C     0.12     1.99    10.93     -17.46      -0.19     1.80     16
   9       N    -0.46    -8.85    10.26      -9.45      -0.10    -8.95     16
  10       C     0.13     2.83     4.52     -82.60      -0.37     2.45     16
  11       C     0.62    13.81     5.07     -12.11      -0.06    13.75     16
  12       O    -0.51   -13.03    15.82     -12.89      -0.20   -13.23     16
  13       N    -0.61   -10.37     2.97    -173.44      -0.51   -10.88     16
  14       C     0.12     1.87     6.35      -3.49      -0.02     1.85     16
  15       C    -0.14    -1.88     5.23     -26.39      -0.14    -2.02     16
  16       C    -0.14    -1.29     1.86     -90.58      -0.17    -1.45     16
  17       C     0.39     3.05     9.01      37.16       0.33     3.39     16
  18       O    -0.71   -11.80    14.55     -57.73      -0.84   -12.64     16
  19       O    -0.74   -13.73    17.78     -57.73      -1.03   -14.76     16
  20       C    -0.12    -1.03     5.36     -26.61      -0.14    -1.17     16
  21       C     0.13     1.63     6.44      -3.71      -0.02     1.61     16
  22       H     0.15     3.23     7.74     -52.49      -0.41     2.82     16
  23       H     0.16     2.07     8.06     -52.48      -0.42     1.64     16
  24       H     0.07     0.93     8.14     -51.93      -0.42     0.51     16
  25       H     0.08     1.37     6.36     -51.93      -0.33     1.04     16
  26       H     0.08     1.23     8.14     -51.93      -0.42     0.81     16
  27       H     0.11     1.62     5.85     -51.93      -0.30     1.32     16
  28       H     0.12     1.08     8.03     -51.93      -0.42     0.66     16
  29       H     0.14     0.85     8.14     -51.93      -0.42     0.42     16
  30       H     0.14     0.44     8.14     -51.93      -0.42     0.01     16
  31       H     0.32     4.98     8.90      45.56       0.41     5.39     16
  32       H     0.32     5.34     8.90      45.56       0.41     5.74     16
  33       H     0.10     1.05     8.14     -51.93      -0.42     0.62     16
  34       H     0.09     0.40     8.14     -51.93      -0.42    -0.02     16
  35       H     0.11     1.52     7.00     -51.93      -0.36     1.16     16
  36       H     0.07     0.69     8.14     -51.93      -0.42     0.26     16
 Total:         -1.00   -43.68   329.48                 -6.89   -50.57