REAL300018507852.mol2 44                                                        
   1       O    -0.63    -7.59    18.00     -20.23      -0.36    -7.96     16
   2       C     0.49     2.66     6.73      36.01       0.24     2.91     16
   3       O    -0.67    -4.96    15.19     -20.22      -0.31    -5.27     16
   4       C    -0.05     0.20     2.35     -68.86      -0.16     0.04     16
   5       C    -0.12     0.52     4.64     -26.73      -0.12     0.40     16
   6       C     0.08    -0.49     2.60     -26.68      -0.07    -0.56     16
   7       C    -0.15     0.76     5.42     -26.59      -0.14     0.62     16
   8       C    -0.13     0.65     6.03     -26.55      -0.16     0.49     16
   9       C    -0.16     0.93     6.14     -26.59      -0.16     0.76     16
  10       C     0.06    -0.48     6.84      37.20       0.25    -0.22     16
  11       O    -0.41     3.16     7.42     -35.23      -0.26     2.89     16
  12       N    -0.48     4.37     1.40    -109.22      -0.15     4.22     16
  13       H     0.41    -4.77     5.43     -39.29      -0.21    -4.98     16
  14       H     0.43    -3.84     8.11     -39.29      -0.32    -4.16     16
  15       C     0.04    -0.36     5.12      -4.98      -0.03    -0.39     16
  16       C    -0.14     1.26     5.36    -104.53      -0.56     0.70     16
  17       C    -0.06     0.54     9.68     -39.63      -0.38     0.16     16
  18       C    -0.11     0.64     9.75     -39.25      -0.38     0.25     16
  19       C     0.33    -0.73     9.80     -38.73      -0.38    -1.11     16
  20       O    -0.65    -3.87    17.25     -57.73      -1.00    -4.87     16
  21       O    -0.66    -3.74    17.25     -57.73      -1.00    -4.73     16
  22       C    -0.11     0.50     9.75     -39.25      -0.38     0.12     16
  23       C    -0.04     0.33     9.68     -39.63      -0.38    -0.05     16
  24       H     0.13    -0.76     8.07     -51.93      -0.42    -1.18     16
  25       H     0.13    -0.30     8.13     -51.93      -0.42    -0.72     16
  26       H     0.09    -0.40     8.14     -51.93      -0.42    -0.82     16
  27       H     0.07    -0.52     8.12     -51.93      -0.42    -0.94     16
  28       H     0.08    -0.39     8.14     -51.93      -0.42    -0.82     16
  29       H     0.08    -0.34     8.14     -51.93      -0.42    -0.76     16
  30       H     0.07    -0.35     8.14     -51.93      -0.42    -0.77     16
  31       H     0.07    -0.33     8.14     -51.93      -0.42    -0.75     16
  32       H     0.08    -0.47     8.14     -51.93      -0.42    -0.89     16
  33       H     0.07    -0.37     8.14     -51.93      -0.42    -0.79     16
  34       H     0.06    -0.48     8.14     -51.93      -0.42    -0.90     16
  35       H     0.10    -0.87     8.14     -51.93      -0.42    -1.29     16
  36       H     0.16    -0.92     5.92     -51.93      -0.31    -1.23     16
  37       H     0.13    -1.54     8.06     -51.93      -0.42    -1.96     16
  38       H     0.17    -2.18     8.06     -52.49      -0.42    -2.60     16
  39       H     0.18    -0.96     7.77     -52.49      -0.41    -1.36     16
  40       H     0.34     1.21     8.90      45.56       0.41     1.62     16
  41       H     0.34     1.16     8.90      45.56       0.41     1.57     16
  42       H     0.18    -0.70     7.77     -52.49      -0.41    -1.11     16
  43       H     0.18    -1.50     8.06     -52.48      -0.42    -1.92     16
 Total:          0.00   -25.34   350.98                 -7.79   -33.13