REAL300009850760.mol2 39                                                        
   1       O    -0.65   -22.46    17.77     -20.67      -0.37   -22.83     16
   2       C     0.56    18.10     8.03      34.07       0.27    18.38     16
   3       O    -0.66   -23.19    18.01     -23.81      -0.43   -23.62     16
   4       C    -0.01    -0.32     7.17     -36.34      -0.26    -0.59     16
   5       C    -0.20    -4.64    10.64     -39.13      -0.42    -5.05     16
   6       C    -0.16    -3.06    10.88     -39.07      -0.42    -3.49     16
   7       C    -0.06    -1.17     7.02     -36.32      -0.25    -1.42     16
   8       C     0.04     0.67     9.64     -37.38      -0.36     0.30     16
   9       C    -0.24    -3.60     8.99     -37.35      -0.34    -3.94     16
  10       C     0.56     8.18     7.62     -12.93      -0.10     8.09     16
  11       O    -0.54    -9.71    15.67       5.20       0.08    -9.63     16
  12       N    -0.61    -6.47     2.97    -174.12      -0.52    -6.99     16
  13       C     0.10     0.71     6.34      -3.49      -0.02     0.69     16
  14       C    -0.13    -0.58     6.10     -26.38      -0.16    -0.74     16
  15       C    -0.10    -0.18     5.16     -26.69      -0.14    -0.31     16
  16       C    -0.16    -0.79     2.05     -90.51      -0.19    -0.97     16
  17       C     0.38     1.30     9.01      37.16       0.33     1.63     16
  18       O    -0.68   -10.41    14.58     -57.73      -0.84   -11.25     16
  19       O    -0.75   -11.76    17.78     -57.73      -1.03   -12.78     16
  20       C     0.11     0.97     5.54      -3.71      -0.02     0.95     16
  21       O    -0.14    -3.43    10.28      -1.82      -0.02    -3.45     16
  22       H     0.15     3.29     8.06     -52.49      -0.42     2.86     16
  23       H     0.15     2.21     8.06     -52.49      -0.42     1.78     16
  24       H     0.15     2.23     7.54     -52.49      -0.40     1.83     16
  25       H     0.14     1.97     5.62     -52.49      -0.30     1.68     16
  26       H     0.07     0.43     8.14     -51.93      -0.42     0.01     16
  27       H     0.10     0.90     5.37     -51.93      -0.28     0.62     16
  28       H     0.08     0.46     8.14     -51.93      -0.42     0.03     16
  29       H     0.09     0.28     8.14     -51.93      -0.42    -0.14     16
  30       H     0.08    -0.04     8.14     -51.93      -0.42    -0.46     16
  31       H     0.08     0.00     8.14     -51.93      -0.42    -0.42     16
  32       H     0.13     0.92     8.03     -51.93      -0.42     0.50     16
  33       H     0.14    -0.03     8.14     -51.93      -0.42    -0.46     16
  34       H     0.14    -0.09     8.14     -51.93      -0.42    -0.51     16
  35       H     0.33     4.75     8.90      45.56       0.41     5.15     16
  36       H     0.33     4.65     8.90      45.56       0.41     5.05     16
  37       H     0.13     1.76     4.79     -51.93      -0.25     1.51     16
  38       H     0.07     0.44     8.14     -51.93      -0.42     0.02     16
 Total:         -1.00   -47.73   331.66                 -5.24   -52.97