REAL300009850744.mol2 38                                                        
   1       O    -0.71   -46.86    17.33      19.04       0.33   -46.53     16
   2       C     0.47    29.33     8.12      71.24       0.58    29.91     16
   3       O    -0.73   -50.37    18.00      19.04       0.34   -50.02     16
   4       C     0.03     1.43     5.88      85.63       0.50     1.93     16
   5       N    -0.45   -18.75     2.07    -653.71      -1.35   -20.10     16
   6       C     0.21     6.36     9.97      83.57       0.83     7.20     16
   7       C    -0.22    -5.31     6.18      22.02       0.14    -5.17     16
   8       Br    0.02     0.26    33.69     -20.37      -0.69    -0.42     16
   9       C     0.08     2.01     9.65      22.85       0.22     2.23     16
  10       C    -0.28   -10.26     4.85     -19.79      -0.10   -10.36     16
  11       C     0.61    22.64     6.84      86.56       0.59    23.23     16
  12       O    -0.57   -26.05    17.41      -4.18      -0.07   -26.12     16
  13       N    -0.61   -16.33     3.33    -816.03      -2.71   -19.05     16
  14       C     0.09     1.39     6.47      86.73       0.56     1.96     16
  15       C    -0.07    -0.17     6.42      31.78       0.20     0.03     16
  16       C    -0.17    -1.83     2.84      -9.40      -0.03    -1.86     16
  17       C     0.41     1.67     8.93      71.98       0.64     2.31     16
  18       O    -0.78   -25.69    17.78    -127.47      -2.27   -27.95     16
  19       O    -0.77   -28.84    16.89    -127.47      -2.15   -31.00     16
  20       C     0.11     2.34     6.36      86.86       0.55     2.89     16
  21       C     0.52    24.13     7.43      85.16       0.63    24.77     16
  22       O    -0.59   -33.75    16.10      -4.95      -0.08   -33.83     16
  23       H     0.15     5.24     8.00      -2.39      -0.02     5.22     16
  24       H     0.10     4.69     7.38      -2.39      -0.02     4.68     16
  25       H     0.20     4.63     8.02      -2.91      -0.02     4.60     16
  26       H     0.19     2.94     8.06      -2.91      -0.02     2.91     16
  27       H     0.12     1.16     8.14      -2.39      -0.02     1.14     16
  28       H     0.05     1.16     8.14      -2.39      -0.02     1.14     16
  29       H     0.16    -1.44     8.04      -2.39      -0.02    -1.46     16
  30       H     0.14    -0.16     8.14      -2.39      -0.02    -0.18     16
  31       H     0.10     2.04     7.89      -2.39      -0.02     2.02     16
  32       H     0.20    -1.30     8.10      -2.39      -0.02    -1.32     16
  33       H     0.21    -1.61     8.14      -2.39      -0.02    -1.63     16
  34       H     0.33    10.52     8.90     -74.05      -0.66     9.87     16
  35       H     0.32    11.68     8.90     -74.05      -0.66    11.02     16
  36       H     0.04     1.47     8.09      -2.39      -0.02     1.45     16
  37       H     0.11     1.64     8.00      -2.38      -0.02     1.63     16
 Total:         -1.00  -129.98   354.48                 -4.89  -134.87