REAL300018507852.mol2 44                                                        
   1       O    -0.71   -17.60    18.00      19.03       0.34   -17.25     16
   2       C     0.48     4.59     6.73      71.24       0.48     5.07     16
   3       O    -0.70    -9.84    15.19      19.07       0.29    -9.55     16
   4       C    -0.01     0.06     2.35      44.17       0.10     0.17     16
   5       C    -0.12     1.35     4.64      30.59       0.14     1.49     16
   6       C     0.09    -1.56     2.60      30.62       0.08    -1.48     16
   7       C    -0.15     1.82     5.42      30.68       0.17     1.98     16
   8       C    -0.13     1.52     6.03      30.71       0.19     1.71     16
   9       C    -0.16     2.31     6.14      30.68       0.19     2.50     16
  10       C     0.06    -1.28     6.84      72.01       0.49    -0.78     16
  11       O    -0.40     8.36     7.42    -148.98      -1.11     7.25     16
  12       N    -0.47    11.25     1.40    -499.46      -0.70    10.55     16
  13       H     0.44   -13.36     5.43     -89.69      -0.49   -13.85     16
  14       H     0.43    -9.82     8.11     -89.70      -0.73   -10.55     16
  15       C     0.04    -1.06     5.12      85.56       0.44    -0.62     16
  16       C    -0.10     2.56     5.36     -19.80      -0.11     2.46     16
  17       C    -0.01     0.27     9.68      22.24       0.22     0.48     16
  18       C    -0.10     1.60     9.75      22.49       0.22     1.82     16
  19       C     0.33    -1.44     9.80      22.82       0.22    -1.21     16
  20       O    -0.75   -14.63    17.25    -127.47      -2.20   -16.83     16
  21       O    -0.74   -12.55    17.25    -127.47      -2.20   -14.75     16
  22       C    -0.11     1.13     9.75      22.48       0.22     1.35     16
  23       C    -0.03     0.50     9.68      22.24       0.22     0.71     16
  24       H     0.17    -3.03     8.07      -2.39      -0.02    -3.05     16
  25       H     0.10    -0.56     8.13      -2.39      -0.02    -0.58     16
  26       H     0.09    -0.93     8.14      -2.39      -0.02    -0.95     16
  27       H     0.10    -2.01     8.12      -2.39      -0.02    -2.03     16
  28       H     0.07    -0.77     8.14      -2.39      -0.02    -0.79     16
  29       H     0.06    -0.58     8.14      -2.39      -0.02    -0.60     16
  30       H     0.07    -0.99     8.14      -2.38      -0.02    -1.01     16
  31       H     0.06    -0.52     8.14      -2.39      -0.02    -0.54     16
  32       H     0.08    -1.12     8.14      -2.39      -0.02    -1.14     16
  33       H     0.06    -0.67     8.14      -2.38      -0.02    -0.69     16
  34       H     0.08    -1.85     8.14      -2.39      -0.02    -1.87     16
  35       H     0.12    -2.74     8.14      -2.39      -0.02    -2.76     16
  36       H     0.13    -2.13     5.92      -2.39      -0.01    -2.14     16
  37       H     0.18    -6.03     8.06      -2.38      -0.02    -6.05     16
  38       H     0.23    -8.75     8.06      -2.91      -0.02    -8.77     16
  39       H     0.18    -2.56     7.77      -2.91      -0.02    -2.58     16
  40       H     0.33     5.46     8.90     -74.06      -0.66     4.81     16
  41       H     0.34     4.87     8.90     -74.06      -0.66     4.21     16
  42       H     0.17    -0.96     7.77      -2.91      -0.02    -0.99     16
  43       H     0.20    -3.86     8.06      -2.91      -0.02    -3.89     16
 Total:          0.00   -75.52   350.98                 -5.20   -80.73