REAL300009850710.mol2 39                                                        
   1       O    -0.65   -21.81    17.77     -20.66      -0.37   -22.18     16
   2       C     0.55    17.53     8.03      34.07       0.27    17.80     16
   3       O    -0.66   -22.61    18.01     -23.81      -0.43   -23.04     16
   4       C     0.00    -0.12     7.17     -36.34      -0.26    -0.38     16
   5       C    -0.21    -4.38    10.64     -39.14      -0.42    -4.79     16
   6       C    -0.15    -2.65    10.88     -39.07      -0.42    -3.07     16
   7       C    -0.07    -1.21     7.02     -36.33      -0.26    -1.47     16
   8       C     0.06     0.77     9.64     -37.38      -0.36     0.40     16
   9       C    -0.25    -2.96     9.67     -37.36      -0.36    -3.32     16
  10       C     0.56     5.95     7.58     -12.95      -0.10     5.85     16
  11       O    -0.53    -6.71    13.63       5.19       0.07    -6.64     16
  12       N    -0.67    -4.99     5.30     -11.14      -0.06    -5.05     16
  13       C     0.19     1.34     6.28     -83.79      -0.53     0.82     16
  14       C    -0.14    -0.73     9.69     -38.95      -0.38    -1.11     16
  15       C    -0.03    -0.16     5.74    -106.77      -0.61    -0.77     16
  16       C    -0.06    -0.21     9.73     -39.52      -0.38    -0.59     16
  17       C    -0.11    -0.67     9.65     -39.64      -0.38    -1.05     16
  18       C     0.32     2.84     9.78     -38.67      -0.38     2.46     16
  19       O    -0.68   -10.49    17.19     -57.73      -0.99   -11.48     16
  20       O    -0.68   -10.34    17.20     -57.73      -0.99   -11.33     16
  21       C    -0.08    -0.56     9.49     -38.79      -0.37    -0.93     16
  22       C    -0.04    -0.24     5.74    -106.81      -0.61    -0.85     16
  23       C    -0.08    -0.45     9.74     -39.48      -0.38    -0.83     16
  24       C    -0.10    -0.74     8.58     -39.75      -0.34    -1.08     16
  25       O    -0.14    -3.19    10.28      -1.84      -0.02    -3.21     16
  26       H     0.15     3.11     8.06     -52.49      -0.42     2.69     16
  27       H     0.15     1.93     8.06     -52.48      -0.42     1.51     16
  28       H     0.16     1.73     7.53     -52.48      -0.39     1.34     16
  29       H     0.14     1.65     7.78     -52.48      -0.41     1.24     16
  30       H     0.42     2.03     8.79     -40.82      -0.36     1.67     16
  31       H     0.15     0.38     8.06     -52.49      -0.42    -0.05     16
  32       H     0.17     0.08     8.06     -52.49      -0.42    -0.35     16
  33       H     0.17     0.96     7.73     -52.49      -0.41     0.56     16
  34       H     0.33     4.20     8.90      45.56       0.41     4.60     16
  35       H     0.33     4.15     8.90      45.56       0.41     4.56     16
  36       H     0.18     1.17     7.73     -52.49      -0.41     0.77     16
  37       H     0.15     0.56     8.06     -52.49      -0.42     0.14     16
  38       H     0.16     1.35     6.18     -52.49      -0.32     1.02     16
 Total:         -1.00   -43.47   358.28                 -7.26   -50.73