REAL300009850881.mol2 32                                                        
   1       O    -0.67   -21.38    17.33     -20.22      -0.35   -21.73     16
   2       C     0.49    13.98     8.12      36.01       0.29    14.27     16
   3       O    -0.68   -21.80    18.00     -20.22      -0.36   -22.16     16
   4       C     0.01     0.11     5.88      -5.19      -0.03     0.08     16
   5       N    -0.44    -7.81     2.07    -120.61      -0.25    -8.06     16
   6       C     0.24     3.50     9.97     -16.81      -0.17     3.33     16
   7       C    -0.24    -3.13     6.18     -39.96      -0.25    -3.38     16
   8       Br   -0.02    -0.22    33.69     -68.01      -2.29    -2.51     16
   9       C     0.10     1.33     9.44     -38.69      -0.37     0.97     16
  10       C    -0.29    -4.63     5.92    -104.51      -0.62    -5.25     16
  11       C     0.60     9.30     7.73     -12.67      -0.10     9.20     16
  12       O    -0.53    -8.96    15.97       5.24       0.08    -8.88     16
  13       N    -0.69    -8.95     5.48     -54.99      -0.30    -9.25     16
  14       C     0.10     1.08     6.20     -67.93      -0.42     0.66     16
  15       H     0.19     2.33     7.36     -51.93      -0.38     1.94     16
  16       C    -0.16    -1.09    10.35     -26.70      -0.28    -1.36     16
  17       C     0.29     3.05     9.85     -26.70      -0.26     2.79     16
  18       H     0.19     1.50     8.14     -51.93      -0.42     1.08     16
  19       O    -0.70   -13.97    17.78     -57.73      -1.03   -15.00     16
  20       O    -0.72   -13.10    17.46     -57.73      -1.01   -14.11     16
  21       C     0.54     9.89     7.43     -14.92      -0.11     9.78     16
  22       O    -0.54   -10.50    13.26       5.02       0.07   -10.43     16
  23       H     0.10     1.60     8.00     -51.93      -0.42     1.19     16
  24       H     0.11     2.15     7.38     -51.93      -0.38     1.77     16
  25       H     0.18     2.04     8.02     -52.49      -0.42     1.62     16
  26       H     0.16     1.89     7.71     -52.49      -0.40     1.48     16
  27       H     0.42     5.57     5.44     -40.82      -0.22     5.35     16
  28       H     0.15     0.54     8.14     -51.93      -0.42     0.11     16
  29       H     0.17     1.03     8.14     -51.93      -0.42     0.61     16
  30       H     0.33     5.57     8.90      45.56       0.41     5.98     16
  31       H     0.32     5.31     8.90      45.56       0.41     5.71     16
 Total:         -1.00   -43.77   314.22                 -5.70   -49.46