REAL300018671842.mol2 37                                                        
   1       O    -0.70   -22.68    18.00      19.04       0.34   -22.34     16
   2       C     0.49     8.90     6.52      71.24       0.46     9.37     16
   3       O    -0.68   -12.74    15.68      19.06       0.30   -12.44     16
   4       C     0.04     0.08     2.52      43.42       0.11     0.19     16
   5       N    -0.46     4.74     1.04    -503.38      -0.52     4.21     16
   6       H     0.43    -5.51     6.49     -89.69      -0.58    -6.10     16
   7       H     0.43    -6.53     6.54     -89.70      -0.59    -7.12     16
   8       C     0.05    -0.53     4.29      85.56       0.37    -0.16     16
   9       C    -0.12     1.96     5.38     -19.65      -0.11     1.85     16
  10       C    -0.04     0.81     9.66      22.24       0.21     1.02     16
  11       C    -0.08     2.15    10.04      22.33       0.22     2.37     16
  12       C    -0.03     0.65    10.03      22.24       0.22     0.87     16
  13       C    -0.11     1.90     9.76      22.48       0.22     2.12     16
  14       C     0.33    -3.73     9.73      22.83       0.22    -3.51     16
  15       O    -0.74    -0.05    12.10    -127.47      -1.54    -1.60     16
  16       O    -0.72    -6.56    17.27    -127.47      -2.20    -8.76     16
  17       C    -0.10    -0.25     4.82     -19.87      -0.10    -0.35     16
  18       C    -0.11     0.33     9.30      22.27       0.21     0.54     16
  19       C    -0.10     0.37    10.05      22.26       0.22     0.59     16
  20       C    -0.09    -0.03     9.79      22.29       0.22     0.19     16
  21       C    -0.10    -0.50     6.22      22.31       0.14    -0.36     16
  22       Br   -0.05    -0.29    33.70     -20.37      -0.69    -0.98     16
  23       C    -0.08    -0.47     9.41      22.29       0.21    -0.26     16
  24       H     0.14     0.36     7.92      -2.39      -0.02     0.34     16
  25       H     0.15    -1.08     6.26      -2.39      -0.01    -1.10     16
  26       H     0.14    -0.87     6.08      -2.39      -0.01    -0.89     16
  27       H     0.20    -4.99     8.03      -2.91      -0.02    -5.01     16
  28       H     0.21    -6.61     8.06      -2.91      -0.02    -6.64     16
  29       H     0.21    -6.52     8.06      -2.91      -0.02    -6.54     16
  30       H     0.18    -2.50     7.80      -2.91      -0.02    -2.52     16
  31       H     0.34     0.35     8.91     -74.06      -0.66    -0.31     16
  32       H     0.34     2.29     8.91     -74.06      -0.66     1.63     16
  33       H     0.16    -1.72     6.77      -2.91      -0.02    -1.74     16
  34       H     0.17    -1.79     8.06      -2.91      -0.02    -1.81     16
  35       H     0.15    -0.46     8.06      -2.91      -0.02    -0.49     16
  36       H     0.13     0.93     8.04      -2.91      -0.02     0.91     16
 Total:          0.00   -60.63   329.29                 -4.19   -64.82