REAL300009850872.mol2 41                                                        
   1       O    -0.67   -22.65    17.33     -20.52      -0.36   -23.00     16
   2       C     0.52    16.27     7.98      34.61       0.28    16.55     16
   3       O    -0.65   -21.72    14.64     -27.03      -0.40   -22.12     16
   4       C    -0.14    -3.54     5.91    -104.54      -0.62    -4.16     16
   5       C    -0.02    -0.33     9.47     -38.82      -0.37    -0.70     16
   6       C    -0.15    -2.48     6.25     -39.29      -0.25    -2.73     16
   7       Br   -0.05    -0.61    33.73     -68.01      -2.29    -2.90     16
   8       C     0.12     1.93    10.93     -17.47      -0.19     1.73     16
   9       N    -0.46    -8.75    10.28      -9.45      -0.10    -8.85     16
  10       C     0.13     2.96     5.45     -82.60      -0.45     2.51     16
  11       C     0.63    14.68     5.39     -12.10      -0.07    14.61     16
  12       O    -0.50   -13.69    16.45     -14.85      -0.24   -13.93     16
  13       N    -0.61   -10.94     3.34    -171.71      -0.57   -11.52     16
  14       C     0.11     1.41     6.70      -2.35      -0.02     1.40     16
  15       C    -0.12    -1.07     6.44     -25.11      -0.16    -1.23     16
  16       C    -0.09    -0.78     0.92    -154.41      -0.14    -0.92     16
  17       C    -0.09    -0.35     6.89     -26.45      -0.18    -0.53     16
  18       C    -0.17    -0.95     3.17     -89.59      -0.28    -1.24     16
  19       C     0.39     1.72     9.52      37.15       0.35     2.08     16
  20       O    -0.75   -12.57    17.78     -57.73      -1.03   -13.60     16
  21       O    -0.70   -11.30    16.57     -57.73      -0.96   -12.26     16
  22       C    -0.11    -0.84     6.98     -26.38      -0.18    -1.03     16
  23       C     0.14     1.98     6.23      -3.53      -0.02     1.96     16
  24       H     0.15     3.23     7.74     -52.49      -0.41     2.83     16
  25       H     0.16     1.97     8.06     -52.49      -0.42     1.55     16
  26       H     0.07     1.09     7.70     -51.93      -0.40     0.69     16
  27       H     0.07     0.76     8.14     -51.93      -0.42     0.34     16
  28       H     0.09     0.47     7.98     -51.93      -0.41     0.06     16
  29       H     0.09     0.96     8.14     -51.93      -0.42     0.54     16
  30       H     0.10     0.40     8.03     -51.93      -0.42    -0.01     16
  31       H     0.10     0.07     7.99     -51.93      -0.41    -0.35     16
  32       H     0.15     1.14     7.78     -51.93      -0.40     0.74     16
  33       H     0.14     0.12     7.88     -51.93      -0.41    -0.29     16
  34       H     0.14     0.08     8.14     -51.93      -0.42    -0.35     16
  35       H     0.32     4.92     8.90      45.56       0.41     5.32     16
  36       H     0.33     4.86     8.90      45.56       0.41     5.27     16
  37       H     0.10     0.51     7.92     -51.93      -0.41     0.10     16
  38       H     0.09     1.00     8.01     -51.93      -0.42     0.58     16
  39       H     0.08     1.40     7.99     -51.93      -0.41     0.99     16
  40       H     0.07     0.91     7.89     -51.93      -0.41     0.50     16
 Total:         -1.00   -47.73   365.54                 -8.13   -55.86