REAL300009850835.mol2 38                                                        
   1       O    -0.69   -47.98    17.33      19.07       0.33   -47.65     16
   2       C     0.47    29.97     8.12      71.24       0.58    30.55     16
   3       O    -0.74   -53.45    18.00      19.02       0.34   -53.11     16
   4       C     0.03     1.53     5.87      85.63       0.50     2.03     16
   5       N    -0.45   -18.10     2.07    -653.69      -1.35   -19.45     16
   6       C     0.22     6.79     9.97      83.57       0.83     7.62     16
   7       C    -0.23    -5.81     6.18      22.02       0.14    -5.67     16
   8       Br    0.01     0.22    33.69     -20.37      -0.69    -0.47     16
   9       C     0.10     2.54     9.58      22.85       0.22     2.76     16
  10       C    -0.31   -10.16     5.19     -19.79      -0.10   -10.27     16
  11       C     0.61    17.84     7.05      86.57       0.61    18.45     16
  12       O    -0.53   -15.71    16.45      -4.20      -0.07   -15.78     16
  13       N    -0.58   -14.56     2.97    -822.43      -2.44   -17.00     16
  14       C     0.08     1.06     6.41      86.37       0.55     1.62     16
  15       C    -0.09    -0.61     6.08      30.67       0.19    -0.42     16
  16       C    -0.16    -2.68     5.10      30.62       0.16    -2.53     16
  17       C     0.38    11.17     6.08      30.67       0.19    11.36     16
  18       O    -0.70   -42.46    17.05    -127.47      -2.17   -44.63     16
  19       O    -0.80   -38.83    16.89    -127.47      -2.15   -40.98     16
  20       C     0.08     2.57     3.57      86.31       0.31     2.88     16
  21       C     0.52    21.30     5.90      85.16       0.50    21.80     16
  22       O    -0.56   -26.79    12.51      -4.94      -0.06   -26.85     16
  23       H     0.10     4.76     7.39      -2.39      -0.02     4.75     16
  24       H     0.14     5.11     8.00      -2.39      -0.02     5.09     16
  25       H     0.20     4.84     8.02      -2.91      -0.02     4.81     16
  26       H     0.18     3.34     8.06      -2.91      -0.02     3.32     16
  27       H     0.10     1.16     8.14      -2.39      -0.02     1.14     16
  28       H     0.13     1.54     7.03      -2.39      -0.02     1.52     16
  29       H     0.11     0.43     8.14      -2.39      -0.02     0.41     16
  30       H     0.17    -0.18     8.14      -2.39      -0.02    -0.20     16
  31       H     0.12     2.09     7.88      -2.39      -0.02     2.07     16
  32       H     0.11     1.94     8.14      -2.39      -0.02     1.92     16
  33       H     0.17     3.80     8.14      -2.39      -0.02     3.78     16
  34       H     0.32    18.83     8.90     -74.06      -0.66    18.17     16
  35       H     0.31    14.98     8.90     -74.05      -0.66    14.32     16
  36       H     0.10     4.68     3.93      -2.40      -0.01     4.67     16
  37       H     0.09     3.47     7.85      -2.39      -0.02     3.45     16
 Total:         -1.00  -111.38   338.71                 -5.16  -116.53