REAL300009850839.mol2 35                                                        
   1       O    -0.71   -46.99    17.23      17.92       0.31   -46.68     16
   2       C     0.50    30.75     8.01      70.35       0.56    31.31     16
   3       O    -0.72   -49.33    17.23      17.91       0.31   -49.03     16
   4       C    -0.14    -6.15     5.88     -20.07      -0.12    -6.27     16
   5       C    -0.06    -2.09     9.58      22.52       0.22    -1.87     16
   6       C    -0.07    -1.46     7.42      22.48       0.17    -1.30     16
   7       C    -0.10    -2.49     4.87     -20.02      -0.10    -2.59     16
   8       C     0.58    12.13     6.51      86.84       0.57    12.70     16
   9       O    -0.53   -15.12    15.34      -3.81      -0.06   -15.18     16
  10       N    -0.58    -6.38     2.97    -822.10      -2.44    -8.82     16
  11       C     0.06     0.16     5.55      86.36       0.48     0.64     16
  12       C    -0.11     0.16     6.08      30.67       0.19     0.35     16
  13       C    -0.17    -0.17     4.84      30.62       0.15    -0.02     16
  14       C     0.35     3.74     5.69      30.67       0.17     3.92     16
  15       O    -0.71   -25.69    17.78    -127.47      -2.27   -27.96     16
  16       O    -0.76   -23.71    17.65    -127.47      -2.25   -25.96     16
  17       C     0.07     0.79     6.42      86.36       0.55     1.34     16
  18       C    -0.07    -2.06     6.24      22.54       0.14    -1.92     16
  19       Br   -0.03    -0.93    31.79     -20.37      -0.65    -1.58     16
  20       C    -0.06    -2.46     9.32      22.54       0.21    -2.25     16
  21       H     0.15     4.74     7.63      -2.91      -0.02     4.72     16
  22       H     0.19     2.00     7.41      -2.91      -0.02     1.98     16
  23       H     0.11     0.65     4.76      -2.39      -0.01     0.63     16
  24       H     0.13    -0.51     8.14      -2.39      -0.02    -0.53     16
  25       H     0.09     0.03     8.14      -2.39      -0.02     0.02     16
  26       H     0.16    -1.09     8.14      -2.39      -0.02    -1.11     16
  27       H     0.13     0.06     8.14      -2.38      -0.02     0.04     16
  28       H     0.13    -0.29     6.83      -2.39      -0.02    -0.31     16
  29       H     0.16     1.44     8.14      -2.39      -0.02     1.42     16
  30       H     0.34    11.69     9.20     -74.05      -0.68    11.01     16
  31       H     0.32     6.24     7.00     -74.06      -0.52     5.73     16
  32       H     0.13     1.03     8.14      -2.38      -0.02     1.01     16
  33       H     0.11     1.92     7.03      -2.39      -0.02     1.90     16
  34       H     0.12     5.40     7.63      -2.91      -0.02     5.38     16
 Total:         -1.00  -103.98   312.78                 -5.29  -109.26