REAL300009850744.mol2 38                                                        
   1       O    -0.68   -21.96    17.33     -20.23      -0.35   -22.31     16
   2       C     0.49    14.90     8.12      36.01       0.29    15.19     16
   3       O    -0.68   -22.94    18.00     -20.23      -0.36   -23.30     16
   4       C     0.01     0.17     5.88      -5.19      -0.03     0.14     16
   5       N    -0.44    -9.12     2.07    -120.61      -0.25    -9.37     16
   6       C     0.23     3.73     9.97     -16.81      -0.17     3.56     16
   7       C    -0.24    -3.29     6.18     -39.97      -0.25    -3.54     16
   8       Br   -0.03    -0.35    33.69     -68.01      -2.29    -2.64     16
   9       C     0.05     0.67     9.65     -38.69      -0.37     0.30     16
  10       C    -0.26    -4.74     4.85    -104.51      -0.51    -5.25     16
  11       C     0.62    11.17     6.84     -12.67      -0.09    11.08     16
  12       O    -0.52   -11.10    17.41       5.23       0.09   -11.01     16
  13       N    -0.62    -8.35     3.33    -171.91      -0.57    -8.92     16
  14       C     0.10     0.97     6.47      -3.06      -0.02     0.95     16
  15       C    -0.10    -0.41     6.42     -24.90      -0.16    -0.57     16
  16       C    -0.17    -1.17     2.84     -88.46      -0.25    -1.42     16
  17       C     0.39     1.82     8.93      37.16       0.33     2.15     16
  18       O    -0.74   -12.29    17.78     -57.73      -1.03   -13.31     16
  19       O    -0.70   -11.83    16.89     -57.73      -0.98   -12.81     16
  20       C     0.12     1.31     6.36      -2.53      -0.02     1.30     16
  21       C     0.54    12.02     7.43     -14.93      -0.11    11.90     16
  22       O    -0.52   -13.80    16.10       5.02       0.08   -13.72     16
  23       H     0.10     1.82     8.00     -51.93      -0.42     1.40     16
  24       H     0.11     2.53     7.38     -51.93      -0.38     2.15     16
  25       H     0.17     2.27     8.02     -52.48      -0.42     1.85     16
  26       H     0.14     1.50     8.06     -52.48      -0.42     1.08     16
  27       H     0.08     0.64     8.14     -51.93      -0.42     0.21     16
  28       H     0.09     1.12     8.14     -51.93      -0.42     0.70     16
  29       H     0.09     0.05     8.04     -51.93      -0.42    -0.37     16
  30       H     0.11     0.29     8.14     -51.93      -0.42    -0.13     16
  31       H     0.14     1.32     7.89     -51.93      -0.41     0.91     16
  32       H     0.14     0.15     8.10     -51.93      -0.42    -0.27     16
  33       H     0.14     0.02     8.14     -51.93      -0.42    -0.40     16
  34       H     0.33     4.95     8.90      45.56       0.41     5.36     16
  35       H     0.33     5.14     8.90      45.56       0.41     5.54     16
  36       H     0.10     1.52     8.09     -51.93      -0.42     1.10     16
  37       H     0.08     0.68     8.00     -51.93      -0.42     0.26     16
 Total:         -1.00   -50.61   354.48                 -6.27   -56.88