REAL300009850776.mol2 39                                                        
   1       O    -0.69   -24.20    17.00     -20.80      -0.35   -24.56     16
   2       C     0.50    16.37     7.79      31.73       0.25    16.61     16
   3       O    -0.69   -25.15    17.99     -20.80      -0.37   -25.52     16
   4       C    -0.13    -3.32     9.49     -39.40      -0.37    -3.70     16
   5       C    -0.12    -2.50     9.37     -39.16      -0.37    -2.86     16
   6       C     0.06     1.10     6.77     -38.92      -0.26     0.84     16
   7       C    -0.20    -2.82     8.37     -38.89      -0.33    -3.14     16
   8       C    -0.24    -3.13     5.60    -104.96      -0.59    -3.72     16
   9       C     0.60     7.25     7.64     -12.48      -0.10     7.16     16
  10       O    -0.54    -7.85    16.44       5.28       0.09    -7.76     16
  11       N    -0.61    -5.19     2.97    -173.74      -0.52    -5.70     16
  12       C     0.09     0.70     5.28      -3.48      -0.02     0.68     16
  13       C    -0.13    -0.84     5.38     -26.38      -0.14    -0.99     16
  14       C    -0.15    -0.51     1.95     -90.58      -0.18    -0.69     16
  15       C     0.38     1.13     8.82      37.16       0.33     1.46     16
  16       O    -0.73   -11.16    17.78     -57.73      -1.03   -12.19     16
  17       O    -0.71    -9.93    16.37     -57.73      -0.94   -10.88     16
  18       C    -0.11    -0.19     5.36     -26.61      -0.14    -0.33     16
  19       C     0.12     0.62     6.44      -3.71      -0.02     0.60     16
  20       C     0.03     0.38    12.04      30.62       0.37     0.75     16
  21       O    -0.16    -2.61    10.10       5.90       0.06    -2.55     16
  22       H     0.11     2.51     7.70     -52.48      -0.40     2.11     16
  23       H     0.16     3.37     7.45     -52.49      -0.39     2.98     16
  24       H     0.16     1.91     6.42     -52.49      -0.34     1.58     16
  25       H     0.08     0.57     8.14     -51.93      -0.42     0.15     16
  26       H     0.12     1.12     4.08     -51.93      -0.21     0.91     16
  27       H     0.07     0.44     8.14     -51.93      -0.42     0.02     16
  28       H     0.10     0.89     7.71     -51.93      -0.40     0.49     16
  29       H     0.13     0.61     7.73     -51.93      -0.40     0.20     16
  30       H     0.14     0.06     8.14     -51.93      -0.42    -0.37     16
  31       H     0.14    -0.18     8.14     -51.93      -0.42    -0.60     16
  32       H     0.33     4.53     8.90      45.56       0.41     4.94     16
  33       H     0.33     4.32     8.90      45.56       0.41     4.72     16
  34       H     0.09     0.12     8.14     -51.93      -0.42    -0.30     16
  35       H     0.09    -0.12     8.14     -51.93      -0.42    -0.54     16
  36       H     0.11     0.67     7.00     -51.93      -0.36     0.31     16
  37       H     0.08     0.33     8.14     -51.93      -0.42    -0.10     16
  38       H     0.21     2.07     8.06     -52.49      -0.42     1.65     16
 Total:         -1.00   -48.62   329.90                 -4.75   -53.37