REAL300009850668.mol2 38                                                        
   1       O    -0.68   -20.29    17.33     -20.23      -0.35   -20.64     16
   2       C     0.49    13.67     8.12      36.00       0.29    13.96     16
   3       O    -0.68   -21.49    18.00     -20.23      -0.36   -21.86     16
   4       C     0.01     0.13     5.88      -5.20      -0.03     0.10     16
   5       N    -0.44    -7.86     2.06    -120.61      -0.25    -8.11     16
   6       C     0.24     3.44     9.97     -16.81      -0.17     3.27     16
   7       C    -0.24    -3.09     6.18     -39.96      -0.25    -3.34     16
   8       Br   -0.03    -0.27    33.69     -68.01      -2.29    -2.56     16
   9       C     0.08     1.05     9.61     -38.69      -0.37     0.68     16
  10       C    -0.29    -4.49     4.76    -104.51      -0.50    -4.99     16
  11       C     0.61     8.95     6.91     -12.67      -0.09     8.86     16
  12       O    -0.53    -8.48    16.47       5.23       0.09    -8.39     16
  13       N    -0.61    -7.38     2.89    -173.89      -0.50    -7.88     16
  14       C     0.14     1.80     4.62      -3.48      -0.02     1.78     16
  15       C    -0.19    -2.18     6.10     -26.38      -0.16    -2.34     16
  16       C     0.39     4.26     5.51     -26.69      -0.15     4.11     16
  17       O    -0.73   -15.02    17.78     -57.73      -1.03   -16.05     16
  18       O    -0.74   -14.35    16.95     -57.73      -0.98   -15.33     16
  19       C    -0.18    -1.56     5.25     -26.61      -0.14    -1.70     16
  20       C     0.13     1.09     6.44      -3.71      -0.02     1.06     16
  21       C     0.54     9.68     5.95     -14.93      -0.09     9.59     16
  22       O    -0.53   -10.60    13.75       5.02       0.07   -10.53     16
  23       H     0.10     1.62     8.00     -51.93      -0.42     1.20     16
  24       H     0.11     2.20     7.37     -51.93      -0.38     1.82     16
  25       H     0.17     2.06     8.02     -52.49      -0.42     1.64     16
  26       H     0.15     1.66     8.06     -52.49      -0.42     1.24     16
  27       H     0.10     1.26     7.86     -51.93      -0.41     0.85     16
  28       H     0.13     2.04     5.12     -51.93      -0.27     1.77     16
  29       H     0.11     1.34     8.14     -51.93      -0.42     0.92     16
  30       H     0.13     1.54     8.14     -51.93      -0.42     1.12     16
  31       H     0.15     1.15     8.14     -51.93      -0.42     0.73     16
  32       H     0.32     5.87     8.90      45.56       0.41     6.28     16
  33       H     0.32     5.68     8.90      45.56       0.41     6.08     16
  34       H     0.12     1.21     7.98     -51.93      -0.41     0.80     16
  35       H     0.12     0.85     8.14     -51.93      -0.42     0.43     16
  36       H     0.13     1.09     6.99     -51.93      -0.36     0.72     16
  37       H     0.09     0.55     8.14     -51.93      -0.42     0.13     16
 Total:         -1.00   -42.89   342.12                 -6.53   -49.43