REAL300018073860.mol2 41                                                        
   1       C     0.02    -0.04     9.81     101.05       0.99     0.95     16
   2       O    -0.30    -0.56     9.83     -19.49      -0.19    -0.76     16
   3       C     0.17     0.35     6.68     -39.20      -0.26     0.09     16
   4       C    -0.20    -0.14     9.04     -39.44      -0.36    -0.50     16
   5       C    -0.03    -0.03     9.66     -39.60      -0.38    -0.41     16
   6       C    -0.13    -0.14     4.82    -104.61      -0.50    -0.64     16
   7       C     0.01     0.00     2.45     -70.02      -0.17    -0.17     16
   8       N    -0.47     2.26     1.00    -110.46      -0.11     2.15     16
   9       H     0.42    -2.61     6.62     -39.29      -0.26    -2.88     16
  10       H     0.42    -2.51     6.56     -39.29      -0.26    -2.76     16
  11       C     0.05    -0.25     4.24      -4.97      -0.02    -0.27     16
  12       C    -0.13     0.91     5.38    -104.29      -0.56     0.35     16
  13       C    -0.05     0.46     9.66     -39.63      -0.38     0.08     16
  14       C    -0.10     1.05    10.04     -39.48      -0.40     0.66     16
  15       C    -0.05     0.49    10.03     -39.63      -0.40     0.10     16
  16       C    -0.11     0.81     9.76     -39.25      -0.38     0.43     16
  17       C     0.32    -1.73     9.69     -38.72      -0.38    -2.11     16
  18       O    -0.72     1.22    12.18     -57.73      -0.70     0.52     16
  19       O    -0.61    -0.91    17.29     -57.73      -1.00    -1.91     16
  20       C     0.50     4.28     6.52      36.01       0.23     4.52     16
  21       O    -0.63    -9.27    18.00     -20.23      -0.36    -9.63     16
  22       O    -0.67    -6.59    15.77     -20.23      -0.32    -6.91     16
  23       C    -0.05    -0.04     9.04     -39.58      -0.36    -0.40     16
  24       C    -0.12    -0.27     6.24     -39.38      -0.25    -0.52     16
  25       Br   -0.03    -0.06    33.16     -68.01      -2.26    -2.31     16
  26       H     0.11    -0.34     8.14     -51.93      -0.42    -0.76     16
  27       H     0.06    -0.18     7.66     -51.93      -0.40    -0.58     16
  28       H     0.06    -0.14     7.66     -51.93      -0.40    -0.54     16
  29       H     0.15    -0.23     6.30     -52.49      -0.33    -0.56     16
  30       H     0.14    -0.05     8.03     -52.48      -0.42    -0.47     16
  31       H     0.14    -0.02     7.86     -51.93      -0.41    -0.43     16
  32       H     0.15    -0.56     6.44     -51.93      -0.33    -0.89     16
  33       H     0.16    -0.59     6.00     -51.92      -0.31    -0.90     16
  34       H     0.18    -1.83     8.04     -52.49      -0.42    -2.25     16
  35       H     0.17    -2.01     8.06     -52.49      -0.42    -2.43     16
  36       H     0.17    -2.09     8.06     -52.49      -0.42    -2.52     16
  37       H     0.18    -1.24     7.81     -52.48      -0.41    -1.65     16
  38       H     0.34    -0.71     8.91      45.56       0.41    -0.30     16
  39       H     0.35    -0.22     8.91      45.56       0.41     0.18     16
  40       H     0.13    -0.21     6.76     -52.49      -0.35    -0.57     16
 Total:          0.00   -23.71   358.11                 -7.88   -31.59