REAL300009850672.mol2 35                                                        
   1       O    -0.72   -50.59    17.23      17.90       0.31   -50.28     16
   2       C     0.50    31.48     8.01      70.35       0.56    32.04     16
   3       O    -0.71   -47.95    17.23      17.91       0.31   -47.64     16
   4       C    -0.14    -6.47     5.87     -20.07      -0.12    -6.59     16
   5       C    -0.07    -2.25     9.58      22.52       0.22    -2.03     16
   6       C    -0.07    -1.45     7.51      22.49       0.17    -1.28     16
   7       C    -0.11    -2.74     4.85     -20.02      -0.10    -2.84     16
   8       C     0.58    11.08     6.69      86.85       0.58    11.66     16
   9       O    -0.52   -13.21    14.89      -3.81      -0.06   -13.26     16
  10       N    -0.61    -5.17     2.97    -822.08      -2.44    -7.62     16
  11       C     0.12     0.44     5.25      86.36       0.45     0.89     16
  12       C    -0.18    -1.53     5.29      30.67       0.16    -1.36     16
  13       C     0.39     3.36     5.89      30.62       0.18     3.54     16
  14       O    -0.77   -26.10    16.88    -127.47      -2.15   -28.25     16
  15       O    -0.78   -25.40    16.88    -127.47      -2.15   -27.56     16
  16       C    -0.18    -1.25     5.29      30.67       0.16    -1.09     16
  17       C     0.14     0.41     6.44      86.36       0.56     0.96     16
  18       C    -0.07    -2.19     6.24      22.54       0.14    -2.05     16
  19       Br   -0.03    -0.96    31.52     -20.37      -0.64    -1.60     16
  20       C    -0.07    -2.77     9.32      22.54       0.21    -2.56     16
  21       H     0.15     4.83     7.63      -2.91      -0.02     4.81     16
  22       H     0.20     1.68     7.30      -2.91      -0.02     1.66     16
  23       H     0.12     0.95     5.09      -2.39      -0.01     0.93     16
  24       H     0.16    -1.08     8.14      -2.39      -0.02    -1.10     16
  25       H     0.09     1.26     8.14      -2.39      -0.02     1.24     16
  26       H     0.13     1.22     7.88      -2.38      -0.02     1.20     16
  27       H     0.21    -0.67     8.14      -2.39      -0.02    -0.69     16
  28       H     0.32    10.32     8.90     -74.06      -0.66     9.66     16
  29       H     0.32    10.07     8.90     -74.05      -0.66     9.41     16
  30       H     0.13     0.93     7.88      -2.39      -0.02     0.92     16
  31       H     0.09     1.13     8.14      -2.39      -0.02     1.11     16
  32       H     0.15    -0.95     8.14      -2.38      -0.02    -0.96     16
  33       H     0.12     0.80     6.99      -2.39      -0.02     0.79     16
  34       H     0.12     5.51     7.63      -2.91      -0.02     5.49     16
 Total:         -1.00  -107.25   312.78                 -5.20  -112.45