REAL300018120313.mol2 44                                                        
   1       O    -0.67    -4.86    16.52     -20.22      -0.33    -5.19     16
   2       C     0.49     2.19     5.42      36.01       0.20     2.38     16
   3       O    -0.63    -6.83    16.92     -20.22      -0.34    -7.17     16
   4       C    -0.06     0.34     2.23     -68.86      -0.15     0.19     16
   5       C    -0.12     0.62     4.36     -26.73      -0.12     0.50     16
   6       C    -0.12     0.09     2.24     -90.47      -0.20    -0.11     16
   7       C    -0.12     0.17     5.31     -26.53      -0.14     0.03     16
   8       C    -0.16     0.05     6.14     -26.59      -0.16    -0.11     16
   9       C     0.06     0.01     6.84      37.21       0.25     0.26     16
  10       O    -0.37    -1.02    10.77     -35.23      -0.38    -1.40     16
  11       C     0.07    -0.05     5.84      37.20       0.22     0.17     16
  12       N    -0.48     5.92     1.51    -109.22      -0.16     5.75     16
  13       H     0.43    -5.14     7.95     -39.29      -0.31    -5.45     16
  14       H     0.41    -7.03     8.58     -39.29      -0.34    -7.36     16
  15       C     0.05    -0.56     5.22      -4.98      -0.03    -0.58     16
  16       C    -0.14     1.61     5.36    -104.53      -0.56     1.05     16
  17       C    -0.04     0.40     9.68     -39.63      -0.38     0.02     16
  18       C    -0.11     0.62     9.75     -39.25      -0.38     0.24     16
  19       C     0.33    -1.08     9.80     -38.72      -0.38    -1.46     16
  20       O    -0.65    -3.21    17.25     -57.73      -1.00    -4.21     16
  21       O    -0.65    -3.35    17.25     -57.73      -1.00    -4.35     16
  22       C    -0.11     0.76     9.75     -39.25      -0.38     0.38     16
  23       C    -0.06     0.62     9.68     -39.63      -0.38     0.24     16
  24       H     0.13    -0.89     6.41     -51.93      -0.33    -1.23     16
  25       H     0.09    -0.41     8.14     -51.93      -0.42    -0.83     16
  26       H     0.07    -0.69     8.13     -51.93      -0.42    -1.12     16
  27       H     0.11     0.46     6.44     -51.93      -0.33     0.12     16
  28       H     0.07    -0.09     8.14     -51.93      -0.42    -0.51     16
  29       H     0.06    -0.19     8.14     -51.93      -0.42    -0.61     16
  30       H     0.08     0.10     8.14     -51.93      -0.42    -0.32     16
  31       H     0.08    -0.12     8.14     -51.93      -0.42    -0.55     16
  32       H     0.10    -0.04     8.14     -51.93      -0.42    -0.47     16
  33       H     0.05    -0.07     8.14     -51.93      -0.42    -0.49     16
  34       H     0.04    -0.14     8.14     -51.93      -0.42    -0.57     16
  35       H     0.09    -0.08     6.64     -51.93      -0.34    -0.43     16
  36       H     0.14    -1.94     8.05     -51.92      -0.42    -2.35     16
  37       H     0.15    -1.21     6.76     -51.93      -0.35    -1.56     16
  38       H     0.18    -1.75     8.06     -52.48      -0.42    -2.18     16
  39       H     0.18    -0.88     7.77     -52.48      -0.41    -1.28     16
  40       H     0.34     0.92     8.90      45.56       0.41     1.32     16
  41       H     0.34     0.97     8.90      45.56       0.41     1.37     16
  42       H     0.18    -1.13     7.77     -52.49      -0.41    -1.54     16
  43       H     0.17    -2.50     8.06     -52.49      -0.42    -2.93     16
 Total:          0.00   -29.43   351.39                 -7.61   -37.04