REAL300018562202.mol2 36                                                        
   1       C    -0.12    -1.48     9.10      36.01       0.33    -1.16     16
   2       C    -0.11    -1.74     5.91    -104.30      -0.62    -2.35     16
   3       C    -0.07    -1.33     6.21     -39.61      -0.25    -1.58     16
   4       Br   -0.05    -0.80    31.75     -68.01      -2.16    -2.96     16
   5       C    -0.06    -1.24     9.33     -39.09      -0.36    -1.61     16
   6       C    -0.10    -2.36     5.87    -105.03      -0.62    -2.98     16
   7       C     0.52    16.50     8.01      34.53       0.28    16.77     16
   8       O    -0.68   -23.14    17.24     -20.53      -0.35   -23.49     16
   9       O    -0.68   -22.89    17.24     -20.54      -0.35   -23.25     16
  10       C    -0.11    -2.31     8.86     -38.92      -0.34    -2.65     16
  11       C     0.20     3.39     6.63     -83.84      -0.56     2.83     16
  12       N    -0.64    -8.61     5.62     -59.85      -0.34    -8.95     16
  13       C     0.15     1.75     4.72      -5.20      -0.02     1.72     16
  14       C    -0.12    -1.15     5.25    -104.29      -0.55    -1.70     16
  15       C    -0.07    -0.45     9.66     -39.63      -0.38    -0.84     16
  16       C    -0.13    -0.64    10.04     -39.48      -0.40    -1.04     16
  17       C    -0.08    -0.44    10.03     -39.63      -0.40    -0.84     16
  18       C    -0.13    -1.07     9.87     -39.25      -0.39    -1.46     16
  19       C     0.17     2.07     8.94     -38.73      -0.35     1.72     16
  20       O    -0.59   -13.30    16.78     -57.73      -0.97   -14.27     16
  21       O    -0.63   -13.63    17.89     -57.73      -1.03   -14.66     16
  22       H     0.08     0.79     8.14     -51.93      -0.42     0.37     16
  23       H     0.08     1.02     6.62     -51.93      -0.34     0.67     16
  24       H     0.07     0.78     6.53     -51.93      -0.34     0.44     16
  25       H     0.14     3.22     7.64     -52.49      -0.40     2.82     16
  26       H     0.14     2.93     6.31     -52.48      -0.33     2.60     16
  27       H     0.41     4.78     6.44     -40.82      -0.26     4.51     16
  28       H     0.11     1.56     4.72     -51.93      -0.25     1.32     16
  29       H     0.10     0.97     7.75     -51.93      -0.40     0.56     16
  30       H     0.15     0.67     8.00     -52.48      -0.42     0.25     16
  31       H     0.14     0.33     8.06     -52.49      -0.42    -0.09     16
  32       H     0.15     0.36     8.06     -52.49      -0.42    -0.06     16
  33       H     0.15     1.16     8.06     -52.49      -0.42     0.73     16
  34       H     0.31     5.59     6.79      45.56       0.31     5.90     16
  35       H     0.30     4.86     8.83      45.56       0.40     5.27     16
 Total:         -1.00   -43.88   326.88                 -8.63   -52.51