REAL300018562203.mol2 36                                                        
   1       C    -0.11    -1.23     9.10      36.00       0.33    -0.90     16
   2       C    -0.14    -2.16     5.91    -104.30      -0.62    -2.78     16
   3       C    -0.06    -1.10     6.21     -39.61      -0.25    -1.34     16
   4       Br   -0.07    -1.04    31.75     -68.01      -2.16    -3.20     16
   5       C    -0.10    -2.18     9.33     -39.09      -0.36    -2.55     16
   6       C    -0.09    -2.20     5.87    -105.03      -0.62    -2.81     16
   7       C     0.52    16.48     8.01      34.53       0.28    16.76     16
   8       O    -0.68   -23.48    17.24     -20.53      -0.35   -23.83     16
   9       O    -0.68   -23.02    17.24     -20.53      -0.35   -23.38     16
  10       C    -0.14    -2.72     8.86     -38.92      -0.34    -3.07     16
  11       C     0.20     3.02     6.63     -83.83      -0.56     2.47     16
  12       N    -0.75    -7.78     5.62     -59.85      -0.34    -8.12     16
  13       C     0.16     1.37     5.03      -5.20      -0.03     1.34     16
  14       C    -0.09    -0.50     5.25    -104.53      -0.55    -1.05     16
  15       C    -0.06    -0.28     9.68     -39.63      -0.38    -0.66     16
  16       C    -0.11    -0.73     9.75     -39.25      -0.38    -1.11     16
  17       C     0.33     3.02     9.80     -38.72      -0.38     2.64     16
  18       O    -0.68   -10.68    17.25     -57.73      -1.00   -11.68     16
  19       O    -0.68   -10.68    17.25     -57.73      -1.00   -11.68     16
  20       C    -0.11    -0.73     9.75     -39.25      -0.38    -1.11     16
  21       C    -0.06    -0.28     9.68     -39.63      -0.38    -0.66     16
  22       H     0.07     0.70     8.14     -51.93      -0.42     0.28     16
  23       H     0.07     0.85     6.62     -51.93      -0.34     0.50     16
  24       H     0.06     0.53     6.53     -51.93      -0.34     0.19     16
  25       H     0.13     3.12     7.64     -52.49      -0.40     2.72     16
  26       H     0.13     2.62     6.31     -52.49      -0.33     2.29     16
  27       H     0.40     3.33     6.44     -40.82      -0.26     3.07     16
  28       H     0.08     0.72     7.89     -51.93      -0.41     0.31     16
  29       H     0.08     0.72     7.88     -51.93      -0.41     0.31     16
  30       H     0.17     0.55     8.06     -52.48      -0.42     0.13     16
  31       H     0.17     1.15     7.77     -52.49      -0.41     0.74     16
  32       H     0.33     4.32     8.90      45.56       0.41     4.73     16
  33       H     0.33     4.32     8.90      45.56       0.41     4.73     16
  34       H     0.17     1.15     7.77     -52.49      -0.41     0.74     16
  35       H     0.17     0.55     8.06     -52.49      -0.42     0.13     16
 Total:         -1.00   -42.27   332.12                 -8.59   -50.86