REAL300009850668.mol2 38                                                        
   1       O    -0.71   -43.09    17.33      19.04       0.33   -42.76     16
   2       C     0.47    26.50     8.12      71.23       0.58    27.08     16
   3       O    -0.73   -47.05    18.00      19.05       0.34   -46.71     16
   4       C     0.03     1.31     5.88      85.63       0.50     1.82     16
   5       N    -0.45   -15.68     2.06    -653.71      -1.35   -17.03     16
   6       C     0.22     6.01     9.97      83.57       0.83     6.84     16
   7       C    -0.23    -5.35     6.18      22.02       0.14    -5.22     16
   8       Br    0.01     0.09    33.69     -20.37      -0.69    -0.59     16
   9       C     0.09     2.18     9.61      22.85       0.22     2.40     16
  10       C    -0.30    -8.93     4.76     -19.79      -0.09    -9.03     16
  11       C     0.61    16.77     6.91      86.57       0.60    17.37     16
  12       O    -0.54   -16.23    16.47      -4.20      -0.07   -16.30     16
  13       N    -0.61   -13.45     2.89    -822.30      -2.38   -15.83     16
  14       C     0.15     3.77     4.62      86.51       0.40     4.17     16
  15       C    -0.18    -4.12     6.10      30.82       0.19    -3.93     16
  16       C     0.40     7.83     5.51      30.62       0.17     8.00     16
  17       O    -0.79   -32.74    17.78    -127.47      -2.27   -35.00     16
  18       O    -0.76   -29.11    16.95    -127.47      -2.16   -31.27     16
  19       C    -0.17    -2.40     5.25      30.68       0.16    -2.24     16
  20       C     0.14     1.77     6.44      86.36       0.56     2.33     16
  21       C     0.53    18.63     5.95      85.16       0.51    19.14     16
  22       O    -0.56   -22.32    13.75      -4.97      -0.07   -22.39     16
  23       H     0.14     4.27     8.00      -2.39      -0.02     4.25     16
  24       H     0.11     4.33     7.37      -2.39      -0.02     4.31     16
  25       H     0.20     4.14     8.02      -2.91      -0.02     4.12     16
  26       H     0.17     3.32     8.06      -2.91      -0.02     3.30     16
  27       H     0.11     2.54     7.86      -2.39      -0.02     2.53     16
  28       H     0.09     3.08     5.12      -2.39      -0.01     3.06     16
  29       H     0.11     2.54     8.14      -2.39      -0.02     2.52     16
  30       H     0.12     2.93     8.14      -2.39      -0.02     2.91     16
  31       H     0.19     2.29     8.14      -2.39      -0.02     2.28     16
  32       H     0.32    12.26     8.90     -74.06      -0.66    11.60     16
  33       H     0.32    11.57     8.90     -74.06      -0.66    10.91     16
  34       H     0.10     1.88     7.98      -2.39      -0.02     1.87     16
  35       H     0.15     1.47     8.14      -2.39      -0.02     1.45     16
  36       H     0.14     1.80     6.99      -2.39      -0.02     1.79     16
  37       H     0.13     0.91     8.14      -2.39      -0.02     0.89     16
 Total:         -1.00   -96.21   342.12                 -5.12  -101.33