REAL300009850881.mol2 32                                                        
   1       O    -0.72   -45.67    17.33      19.06       0.33   -45.34     16
   2       C     0.47    26.55     8.12      71.24       0.58    27.13     16
   3       O    -0.73   -47.10    18.00      19.06       0.34   -46.76     16
   4       C     0.03     1.29     5.88      85.63       0.50     1.80     16
   5       N    -0.45   -15.09     2.07    -653.69      -1.35   -16.44     16
   6       C     0.23     6.05     9.97      83.57       0.83     6.88     16
   7       C    -0.23    -5.33     6.18      22.02       0.14    -5.19     16
   8       Br    0.01     0.18    33.69     -20.37      -0.69    -0.50     16
   9       C     0.11     2.72     9.44      22.85       0.22     2.93     16
  10       C    -0.31    -9.16     5.92     -19.79      -0.12    -9.28     16
  11       C     0.60    17.63     7.73      86.56       0.67    18.30     16
  12       O    -0.55   -18.01    15.97      -4.17      -0.07   -18.08     16
  13       N    -0.69   -16.40     5.48    -446.12      -2.44   -18.85     16
  14       C     0.08     1.61     6.20      44.99       0.28     1.89     16
  15       H     0.17     4.07     7.36      -2.39      -0.02     4.05     16
  16       C    -0.11    -0.92    10.35      30.62       0.32    -0.61     16
  17       C     0.29     5.50     9.85      30.62       0.30     5.80     16
  18       H     0.22     2.88     8.14      -2.39      -0.02     2.86     16
  19       O    -0.78   -33.04    17.78    -127.47      -2.27   -35.30     16
  20       O    -0.74   -27.52    17.46    -127.47      -2.23   -29.75     16
  21       C     0.53    18.46     7.43      85.16       0.63    19.09     16
  22       O    -0.57   -21.14    13.26      -4.96      -0.07   -21.20     16
  23       H     0.15     4.14     8.00      -2.39      -0.02     4.12     16
  24       H     0.12     4.32     7.38      -2.39      -0.02     4.31     16
  25       H     0.20     3.93     8.02      -2.91      -0.02     3.91     16
  26       H     0.18     3.71     7.71      -2.91      -0.02     3.68     16
  27       H     0.43    10.27     5.44     -92.75      -0.50     9.77     16
  28       H     0.21     0.00     8.14      -2.39      -0.02    -0.02     16
  29       H     0.19     1.35     8.14      -2.39      -0.02     1.33     16
  30       H     0.32    12.29     8.90     -74.06      -0.66    11.63     16
  31       H     0.33    11.26     8.90     -74.06      -0.66    10.60     16
 Total:         -1.00  -101.16   314.22                 -6.06  -107.22