REAL300018671843.mol2 37                                                        
   1       O    -0.71   -16.12    18.00      19.06       0.34   -15.78     16
   2       C     0.48     3.52     6.08      71.23       0.43     3.95     16
   3       O    -0.69    -8.29    16.46      19.04       0.31    -7.97     16
   4       C     0.04    -0.59     2.52      43.42       0.11    -0.48     16
   5       N    -0.47    14.35     1.27    -503.39      -0.64    13.71     16
   6       H     0.45   -18.64     8.59     -89.69      -0.77   -19.41     16
   7       H     0.43   -12.97     6.47     -89.70      -0.58   -13.55     16
   8       C     0.05    -1.56     5.21      85.56       0.45    -1.12     16
   9       C    -0.10     3.12     5.36     -19.80      -0.11     3.01     16
  10       C    -0.01     0.18     9.68      22.24       0.22     0.40     16
  11       C    -0.11     1.90     9.75      22.48       0.22     2.12     16
  12       C     0.33    -2.24     9.80      22.82       0.22    -2.01     16
  13       O    -0.74   -11.90    17.25    -127.47      -2.20   -14.10     16
  14       O    -0.75   -13.53    17.25    -127.47      -2.20   -15.73     16
  15       C    -0.12     1.50     9.75      22.48       0.22     1.72     16
  16       C    -0.02     0.56     9.68      22.24       0.22     0.78     16
  17       C    -0.11     1.12     4.83     -19.87      -0.10     1.03     16
  18       C    -0.10     1.24     9.30      22.27       0.21     1.44     16
  19       C    -0.11     1.07    10.05      22.26       0.22     1.29     16
  20       C    -0.09     0.51     9.79      22.28       0.22     0.73     16
  21       C    -0.10     0.33     6.22      22.31       0.14     0.47     16
  22       Br   -0.06     0.02    33.70     -20.37      -0.69    -0.67     16
  23       C    -0.07     0.41     9.41      22.29       0.21     0.62     16
  24       H     0.18    -3.54     7.95      -2.39      -0.02    -3.56     16
  25       H     0.13    -2.88     6.67      -2.39      -0.02    -2.90     16
  26       H     0.19    -7.34     8.05      -2.39      -0.02    -7.36     16
  27       H     0.24    -9.69     8.06      -2.91      -0.02    -9.71     16
  28       H     0.18    -2.76     7.77      -2.91      -0.02    -2.78     16
  29       H     0.34     4.62     8.90     -74.06      -0.66     3.96     16
  30       H     0.33     5.08     8.90     -74.05      -0.66     4.42     16
  31       H     0.17    -1.43     7.77      -2.91      -0.02    -1.46     16
  32       H     0.20    -4.95     8.06      -2.90      -0.02    -4.97     16
  33       H     0.16    -3.13     6.73      -2.91      -0.02    -3.15     16
  34       H     0.16    -2.27     8.06      -2.91      -0.02    -2.30     16
  35       H     0.14    -1.02     8.06      -2.91      -0.02    -1.04     16
  36       H     0.14    -0.92     8.04      -2.91      -0.02    -0.95     16
 Total:          0.00   -86.24   339.47                 -5.10   -91.34