REAL300018073861.mol2 41                                                        
   1       C     0.02    -0.11     9.81     113.37       1.11     1.00     16
   2       O    -0.32     0.04     9.83     -92.62      -0.91    -0.87     16
   3       C     0.15    -0.25     6.68      22.52       0.15    -0.10     16
   4       C    -0.20     1.31     9.04      22.36       0.20     1.51     16
   5       C    -0.03     0.24     9.66      22.26       0.22     0.46     16
   6       C    -0.14     1.47     4.74     -19.85      -0.09     1.38     16
   7       C     0.04    -0.71     2.53      43.42       0.11    -0.60     16
   8       N    -0.47    14.00     1.25    -503.39      -0.63    13.37     16
   9       H     0.45   -18.09     8.59     -89.69      -0.77   -18.86     16
  10       H     0.43   -12.04     6.72     -89.70      -0.60   -12.64     16
  11       C     0.04    -1.27     5.11      85.56       0.44    -0.83     16
  12       C    -0.10     2.91     5.36     -19.80      -0.11     2.80     16
  13       C    -0.01     0.22     9.68      22.24       0.22     0.43     16
  14       C    -0.11     1.78     9.75      22.48       0.22     2.00     16
  15       C     0.33    -1.74     9.80      22.82       0.22    -1.51     16
  16       O    -0.74   -12.66    17.25    -127.47      -2.20   -14.86     16
  17       O    -0.75   -14.55    17.25    -127.47      -2.20   -16.75     16
  18       C    -0.12     1.31     9.75      22.48       0.22     1.53     16
  19       C    -0.03     0.54     9.68      22.24       0.22     0.76     16
  20       C     0.48     3.07     7.00      71.23       0.50     3.57     16
  21       O    -0.69    -6.94    14.79      19.04       0.28    -6.66     16
  22       O    -0.70   -15.57    17.87      19.06       0.34   -15.23     16
  23       C    -0.06     0.46     9.04      22.27       0.20     0.66     16
  24       C    -0.14     0.27     6.24      22.40       0.14     0.41     16
  25       Br   -0.04    -0.05    33.16     -20.37      -0.68    -0.72     16
  26       H     0.08    -0.88     7.66      -2.39      -0.02    -0.90     16
  27       H     0.11    -1.07     8.14      -2.39      -0.02    -1.09     16
  28       H     0.07    -0.56     7.66      -2.39      -0.02    -0.58     16
  29       H     0.16    -1.69     6.30      -2.91      -0.02    -1.71     16
  30       H     0.16    -2.29     8.03      -2.91      -0.02    -2.31     16
  31       H     0.19    -4.49     7.94      -2.39      -0.02    -4.51     16
  32       H     0.14    -2.87     5.59      -2.39      -0.01    -2.88     16
  33       H     0.19    -7.32     8.05      -2.39      -0.02    -7.34     16
  34       H     0.24    -9.62     8.06      -2.91      -0.02    -9.65     16
  35       H     0.18    -2.59     7.77      -2.91      -0.02    -2.61     16
  36       H     0.34     4.94     8.90     -74.06      -0.66     4.28     16
  37       H     0.33     5.47     8.90     -74.05      -0.66     4.82     16
  38       H     0.17    -1.10     7.77      -2.91      -0.02    -1.13     16
  39       H     0.20    -4.40     8.06      -2.90      -0.02    -4.42     16
  40       H     0.16    -2.15     6.73      -2.91      -0.02    -2.17     16
 Total:          0.00   -86.98   366.16                 -4.99   -91.97