REAL300009850782.mol2 38                                                        
   1       O    -0.72   -50.44    17.23      17.90       0.31   -50.13     16
   2       C     0.50    31.60     8.01      70.35       0.56    32.17     16
   3       O    -0.71   -47.78    17.23      17.91       0.31   -47.48     16
   4       C    -0.14    -6.51     5.88     -20.07      -0.12    -6.63     16
   5       C    -0.07    -2.41     9.58      22.51       0.22    -2.20     16
   6       C    -0.08    -1.89     7.38      22.48       0.17    -1.72     16
   7       C    -0.11    -3.08     5.47     -20.02      -0.11    -3.19     16
   8       C     0.56    13.80     7.23      86.84       0.63    14.43     16
   9       O    -0.54   -16.99    13.77      -3.80      -0.05   -17.05     16
  10       N    -0.60    -8.80     2.97    -822.08      -2.44   -11.25     16
  11       C     0.07     0.41     4.73      86.36       0.41     0.82     16
  12       C    -0.11     0.17     5.36      30.67       0.16     0.33     16
  13       C    -0.14    -0.31     1.90     -10.76      -0.02    -0.33     16
  14       C     0.40     0.48     8.86      71.98       0.64     1.11     16
  15       O    -0.80   -24.67    17.78    -127.47      -2.27   -26.94     16
  16       O    -0.74   -19.11    16.07    -127.47      -2.05   -21.16     16
  17       C    -0.13    -1.25     5.34      30.67       0.16    -1.09     16
  18       C     0.12     1.61     6.44      86.36       0.56     2.17     16
  19       C    -0.06    -2.20     6.24      22.54       0.14    -2.06     16
  20       Br   -0.03    -0.83    30.86     -20.37      -0.63    -1.45     16
  21       C    -0.07    -2.93     9.32      22.54       0.21    -2.72     16
  22       H     0.15     4.97     7.63      -2.91      -0.02     4.94     16
  23       H     0.20     2.50     5.43      -2.91      -0.02     2.48     16
  24       H     0.12     0.98     4.04      -2.38      -0.01     0.97     16
  25       H     0.11     0.11     8.03      -2.39      -0.02     0.09     16
  26       H     0.09    -0.14     8.14      -2.39      -0.02    -0.16     16
  27       H     0.14    -1.33     8.14      -2.39      -0.02    -1.35     16
  28       H     0.13     0.53     7.71      -2.39      -0.02     0.51     16
  29       H     0.17    -0.70     8.14      -2.39      -0.02    -0.72     16
  30       H     0.20    -1.83     8.14      -2.39      -0.02    -1.85     16
  31       H     0.32     9.30     8.90     -74.06      -0.66     8.64     16
  32       H     0.33     8.28     8.90     -74.06      -0.66     7.62     16
  33       H     0.08     1.19     7.50      -2.39      -0.02     1.17     16
  34       H     0.08     0.73     8.14      -2.38      -0.02     0.71     16
  35       H     0.08     1.01     8.14      -2.38      -0.02     0.99     16
  36       H     0.08     1.49     6.99      -2.39      -0.02     1.47     16
  37       H     0.12     5.65     7.63      -2.91      -0.02     5.62     16
 Total:         -1.00  -108.41   329.29                 -4.79  -113.21