REAL300018491458.mol2 44                                                        
   1       O    -0.67   -17.82    17.40     -26.63      -0.46   -18.28     16
   2       C     0.49    11.42     8.13      36.01       0.29    11.71     16
   3       O    -0.69   -18.45    18.00     -20.23      -0.36   -18.81     16
   4       C     0.00    -0.03     6.31      36.01       0.23     0.19     16
   5       O    -0.34    -3.08     9.52     -55.08      -0.52    -3.60     16
   6       C     0.07    -0.13     2.61     -26.73      -0.07    -0.20     16
   7       C    -0.12     0.74     5.57     -26.73      -0.15     0.59     16
   8       C    -0.13     2.03     5.42     -26.73      -0.14     1.89     16
   9       C     0.02    -0.44     2.28     -67.71      -0.15    -0.59     16
  10       N    -0.51    12.77     1.57    -107.99      -0.17    12.60     16
  11       H     0.43   -11.76     8.60     -39.29      -0.34   -12.10     16
  12       H     0.43   -11.37     8.59     -39.29      -0.34   -11.71     16
  13       C     0.04    -1.01     5.22      -4.98      -0.03    -1.03     16
  14       C    -0.16     3.18     5.36    -104.53      -0.56     2.62     16
  15       C    -0.05     0.93     9.68     -39.63      -0.38     0.55     16
  16       C    -0.11     1.31     9.75     -39.25      -0.38     0.93     16
  17       C     0.32    -2.81     9.80     -38.72      -0.38    -3.19     16
  18       O    -0.64    -0.49    17.25     -57.73      -1.00    -1.49     16
  19       O    -0.64    -0.53    17.25     -57.73      -1.00    -1.53     16
  20       C    -0.11     1.29     9.75     -39.25      -0.38     0.91     16
  21       C    -0.05     0.92     9.68     -39.63      -0.38     0.53     16
  22       C    -0.14     2.08     4.99     -26.70      -0.13     1.95     16
  23       C    -0.14     0.90     5.54     -26.70      -0.15     0.75     16
  24       H     0.05     0.52     8.08     -51.93      -0.42     0.10     16
  25       H     0.04     0.47     7.87     -51.93      -0.41     0.06     16
  26       H     0.06    -0.15     7.79     -51.93      -0.40    -0.55     16
  27       H     0.08    -0.48     8.14     -51.93      -0.42    -0.90     16
  28       H     0.09    -0.35     8.14     -51.93      -0.42    -0.77     16
  29       H     0.09    -1.56     8.14     -51.93      -0.42    -1.98     16
  30       H     0.09    -1.38     8.14     -51.93      -0.42    -1.80     16
  31       H     0.15    -2.90     8.09     -51.93      -0.42    -3.32     16
  32       H     0.15    -3.58     6.23     -51.93      -0.32    -3.91     16
  33       H     0.15    -3.69     8.05     -51.93      -0.42    -4.11     16
  34       H     0.17    -3.56     8.06     -52.48      -0.42    -3.98     16
  35       H     0.18    -1.97     7.77     -52.49      -0.41    -2.38     16
  36       H     0.35    -0.43     8.90      45.56       0.41    -0.02     16
  37       H     0.35    -0.42     8.90      45.56       0.41    -0.01     16
  38       H     0.18    -1.93     7.77     -52.49      -0.41    -2.34     16
  39       H     0.17    -3.48     8.06     -52.48      -0.42    -3.90     16
  40       H     0.09    -1.40     8.14     -51.93      -0.42    -1.82     16
  41       H     0.09    -1.54     6.40     -51.93      -0.33    -1.87     16
  42       H     0.08    -0.46     8.14     -51.93      -0.42    -0.88     16
  43       H     0.09    -0.30     7.87     -51.93      -0.41    -0.71     16
 Total:          0.00   -58.92   356.96                 -8.11   -67.03