REAL300018507853.mol2 44                                                        
   1       O    -0.71   -15.00    15.24      19.06       0.29   -14.71     16
   2       C     0.47     6.71     6.73      71.23       0.48     7.19     16
   3       O    -0.71   -20.12    18.00      19.05       0.34   -19.78     16
   4       C     0.00     0.03     2.35      44.17       0.10     0.14     16
   5       C    -0.12     1.10     4.64      30.59       0.14     1.24     16
   6       C     0.09    -1.54     2.60      30.62       0.08    -1.46     16
   7       C    -0.16     1.74     5.42      30.68       0.17     1.91     16
   8       C    -0.13     1.56     6.03      30.71       0.19     1.75     16
   9       C    -0.16     2.47     6.14      30.69       0.19     2.66     16
  10       C     0.06    -1.37     6.84      72.01       0.49    -0.88     16
  11       O    -0.40     8.38     7.41    -148.98      -1.10     7.28     16
  12       N    -0.47     9.60     1.41    -499.43      -0.71     8.89     16
  13       H     0.42    -7.10     8.09     -89.70      -0.73    -7.82     16
  14       H     0.44   -12.80     5.39     -89.70      -0.48   -13.29     16
  15       C     0.04    -0.88     5.13      85.56       0.44    -0.44     16
  16       C    -0.07     1.58     5.35     -19.89      -0.11     1.48     16
  17       C    -0.04     1.25     9.70      22.33       0.22     1.46     16
  18       C    -0.04     1.02    10.03      22.24       0.22     1.25     16
  19       C    -0.09     1.15     9.75      22.49       0.22     1.37     16
  20       C     0.31    -0.52     9.80      22.82       0.22    -0.30     16
  21       O    -0.75   -18.34    17.25    -127.47      -2.20   -20.54     16
  22       O    -0.74   -15.23    17.25    -127.47      -2.20   -17.43     16
  23       C    -0.10     0.78     9.40      22.48       0.21     0.99     16
  24       H     0.17    -2.93     8.07      -2.39      -0.02    -2.95     16
  25       H     0.10    -0.35     8.13      -2.39      -0.02    -0.37     16
  26       H     0.08    -0.59     8.14      -2.39      -0.02    -0.61     16
  27       H     0.10    -2.14     8.13      -2.39      -0.02    -2.16     16
  28       H     0.07    -0.71     8.14      -2.39      -0.02    -0.73     16
  29       H     0.06    -0.48     8.14      -2.39      -0.02    -0.50     16
  30       H     0.08    -1.09     8.14      -2.39      -0.02    -1.11     16
  31       H     0.06    -0.53     8.14      -2.39      -0.02    -0.54     16
  32       H     0.08    -1.29     8.14      -2.39      -0.02    -1.30     16
  33       H     0.06    -0.66     8.14      -2.39      -0.02    -0.68     16
  34       H     0.08    -2.12     8.14      -2.39      -0.02    -2.14     16
  35       H     0.12    -3.16     8.14      -2.38      -0.02    -3.18     16
  36       H     0.12    -1.06     5.99      -2.39      -0.01    -1.08     16
  37       H     0.20    -6.41     8.05      -2.38      -0.02    -6.43     16
  38       H     0.23    -9.91     8.06      -2.91      -0.02    -9.94     16
  39       H     0.23    -7.97     8.06      -2.91      -0.02    -7.99     16
  40       H     0.18    -1.82     7.77      -2.91      -0.02    -1.85     16
  41       H     0.33     7.01     8.90     -74.06      -0.66     6.35     16
  42       H     0.33     6.04     8.90     -74.06      -0.66     5.38     16
  43       H     0.16     0.06     7.77      -2.91      -0.02     0.04     16
 Total:          0.00   -85.66   351.02                 -5.20   -90.85