REAL300018282426.mol2 37                                                        
   1       O    -0.70    -8.20    16.46      19.04       0.31    -7.88     16
   2       C     0.48     3.14     6.08      71.24       0.43     3.57     16
   3       O    -0.70   -15.33    18.00      19.04       0.34   -14.99     16
   4       C     0.04    -0.61     2.52      43.42       0.11    -0.50     16
   5       N    -0.47    14.61     1.28    -503.35      -0.64    13.97     16
   6       H     0.43   -12.88     6.48     -89.69      -0.58   -13.46     16
   7       H     0.45   -18.84     8.59     -89.69      -0.77   -19.61     16
   8       C     0.05    -1.61     5.21      85.56       0.45    -1.16     16
   9       C    -0.10     3.15     5.36     -19.80      -0.11     3.04     16
  10       C    -0.01     0.16     9.68      22.24       0.22     0.37     16
  11       C    -0.11     1.91     9.75      22.49       0.22     2.13     16
  12       C     0.33    -2.19     9.80      22.82       0.22    -1.97     16
  13       O    -0.75   -13.70    17.25    -127.47      -2.20   -15.90     16
  14       O    -0.74   -11.95    17.25    -127.47      -2.20   -14.14     16
  15       C    -0.12     1.48     9.75      22.49       0.22     1.70     16
  16       C    -0.03     0.58     9.68      22.24       0.22     0.79     16
  17       C    -0.10     1.12     4.83     -19.86      -0.10     1.02     16
  18       C    -0.11     1.23     9.30      22.26       0.21     1.44     16
  19       C    -0.10     0.66     9.79      22.29       0.22     0.87     16
  20       C    -0.09     0.34     6.22      22.31       0.14     0.48     16
  21       Br   -0.06     0.04    33.70     -20.37      -0.69    -0.64     16
  22       C    -0.10     0.53     9.79      22.29       0.22     0.75     16
  23       C    -0.08     0.74     9.67      22.27       0.22     0.96     16
  24       H     0.18    -4.06     7.95      -2.39      -0.02    -4.07     16
  25       H     0.19    -7.59     8.05      -2.39      -0.02    -7.61     16
  26       H     0.13    -2.92     6.67      -2.39      -0.02    -2.94     16
  27       H     0.24    -9.85     8.06      -2.91      -0.02    -9.87     16
  28       H     0.18    -2.78     7.77      -2.91      -0.02    -2.80     16
  29       H     0.33     5.15     8.90     -74.05      -0.66     4.49     16
  30       H     0.34     4.65     8.90     -74.05      -0.66     3.99     16
  31       H     0.17    -1.37     7.77      -2.91      -0.02    -1.39     16
  32       H     0.20    -4.89     8.06      -2.91      -0.02    -4.91     16
  33       H     0.16    -2.87     6.75      -2.91      -0.02    -2.89     16
  34       H     0.15    -1.26     8.06      -2.91      -0.02    -1.28     16
  35       H     0.14    -0.96     8.06      -2.91      -0.02    -0.98     16
  36       H     0.16    -1.90     8.04      -2.91      -0.02    -1.92     16
 Total:          0.00   -86.29   339.49                 -5.10   -91.39