COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.904   0.258  -1.921  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.121   3.456  -0.114  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.129   1.147  -2.250  1.00  0.00           C  
HETATM    4  C   UNL     1     -10.937   2.225  -1.053  1.00  0.00           C  
HETATM    5  C   UNL     1      12.088  -0.405   1.084  1.00  0.00           C  
HETATM    6  C   UNL     1       7.220   0.981  -0.128  1.00  0.00           C  
HETATM    7  C   UNL     1       7.336  -1.337  -0.786  1.00  0.00           C  
HETATM    8  C   UNL     1       5.849   0.893  -0.046  1.00  0.00           C  
HETATM    9  C   UNL     1       5.964  -1.430  -0.710  1.00  0.00           C  
HETATM   10  C   UNL     1       1.101  -2.887  -0.740  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.249  -2.951  -0.646  1.00  0.00           C  
HETATM   12  C   UNL     1      12.045   2.080   0.835  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.356  -1.672   1.364  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.826  -1.674   1.278  1.00  0.00           C  
HETATM   15  C   UNL     1       3.740  -0.413  -0.249  1.00  0.00           C  
HETATM   16  C   UNL     1      10.037   0.735   0.282  1.00  0.00           C  
HETATM   17  C   UNL     1       7.969  -0.131  -0.501  1.00  0.00           C  
HETATM   18  C   UNL     1       5.209  -0.315  -0.337  1.00  0.00           C  
HETATM   19  C   UNL     1       1.748  -1.670  -0.447  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.297  -0.691  -0.009  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.406  -0.852  -0.993  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.368   1.956   0.056  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.412  -0.232   1.621  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.113   0.193   0.327  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.907  -0.590   0.430  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.405  -1.893  -0.178  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.923   0.110   1.521  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.874   1.688   0.097  1.00  0.00           C  
HETATM   29  C   UNL     1      11.544   0.758   0.252  1.00  0.00           C  
HETATM   30  N   UNL     1      12.008   0.627  -1.135  1.00  0.00           N  
HETATM   31  N   UNL     1       1.030  -0.614  -0.093  1.00  0.00           N  
HETATM   32  N   UNL     1       9.358  -0.037  -0.589  1.00  0.00           N  
HETATM   33  N   UNL     1       3.124  -1.578  -0.530  1.00  0.00           N  
HETATM   34  N   UNL     1      -9.479   2.091  -1.180  1.00  0.00           N  
HETATM   35  N   UNL     1      -0.945  -1.839  -0.278  1.00  0.00           N  
HETATM   36  O   UNL     1       3.084   0.558   0.076  1.00  0.00           O  
HETATM   37  O   UNL     1       9.437   1.411   1.090  1.00  0.00           O  
HETATM   38  O   UNL     1      -0.936   0.296   0.315  1.00  0.00           O  
HETATM   39  O   UNL     1      13.466   2.152   0.701  1.00  0.00           O  
HETATM   40  O   UNL     1      -8.567  -1.640   1.810  1.00  0.00           O  
HETATM   41  O   UNL     1     -10.516  -0.056   0.440  1.00  0.00           O  
HETATM   42  O   UNL     1      -2.977  -0.872  -0.997  1.00  0.00           O  
HETATM   43  O   UNL     1      -6.773   1.510   1.276  1.00  0.00           O  
HETATM   44  O   UNL     1      -6.336  -0.627   0.448  1.00  0.00           O  
HETATM   45  H   UNL     1      -4.466   0.127  -2.911  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.990   0.210  -1.995  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.610   1.227  -1.519  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.052   3.638  -0.226  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.644   3.812  -1.002  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.490   3.987   0.763  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.436   1.558  -3.212  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.052   0.983  -2.251  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.640   0.199  -2.080  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.365   1.270  -0.749  1.00  0.00           H  
HETATM   55  H   UNL     1     -11.168   2.981  -0.303  1.00  0.00           H  
HETATM   56  H   UNL     1     -11.359   2.524  -2.012  1.00  0.00           H  
HETATM   57  H   UNL     1      11.731  -1.347   0.669  1.00  0.00           H  
HETATM   58  H   UNL     1      13.178  -0.389   1.062  1.00  0.00           H  
HETATM   59  H   UNL     1      11.744  -0.308   2.114  1.00  0.00           H  
HETATM   60  H   UNL     1       7.715   1.916   0.091  1.00  0.00           H  
HETATM   61  H   UNL     1       7.920  -2.198  -1.074  1.00  0.00           H  
HETATM   62  H   UNL     1       5.269   1.757   0.243  1.00  0.00           H  
HETATM   63  H   UNL     1       5.473  -2.364  -0.940  1.00  0.00           H  
HETATM   64  H   UNL     1       1.673  -3.756  -1.030  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.768  -3.873  -0.862  1.00  0.00           H  
HETATM   66  H   UNL     1      11.587   2.911   0.299  1.00  0.00           H  
HETATM   67  H   UNL     1      11.777   2.137   1.890  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.739  -2.646   1.061  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.662  -1.462   2.389  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.440  -0.716   1.628  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.427  -2.476   1.898  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.784  -1.813  -1.340  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.925   1.417  -0.783  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.852   0.300   2.465  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.708  -0.375  -0.511  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.563   0.389   0.763  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.757  -2.869  -0.515  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.427  -0.150   2.456  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.324   2.258   0.910  1.00  0.00           H  
HETATM   80  H   UNL     1      11.744  -0.267  -1.522  1.00  0.00           H  
HETATM   81  H   UNL     1      11.661   1.384  -1.705  1.00  0.00           H  
HETATM   82  H   UNL     1       9.834  -0.527  -1.277  1.00  0.00           H  
HETATM   83  H   UNL     1       3.647  -2.353  -0.789  1.00  0.00           H  
HETATM   84  H   UNL     1      13.854   2.966   1.050  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.143  -1.978   2.610  1.00  0.00           H  
HETATM   86  H   UNL     1     -10.740  -0.984   0.594  1.00  0.00           H  
CONECT    1   21   45   46   47                                       
CONECT    2   22   48   49   50                                       
CONECT    3   34   51   52   53                                       
CONECT    4   34   54   55   56                                       
CONECT    5   29   57   58   59                                       
CONECT    6    8   17   17   60                                       
CONECT    7    9    9   17   61                                       
CONECT    8   18   18    6   62                                       
CONECT    9   18    7    7   63                                       
CONECT   10   11   11   19   64                                       
CONECT   11   35   10   10   65                                       
CONECT   12   39   29   66   67                                       
CONECT   13   25   14   68   69                                       
CONECT   14   26   13   70   71                                       
CONECT   15   33   36   36   18                                       
CONECT   16   37   37   32   29                                       
CONECT   17    6    6    7   32                                       
CONECT   18    8    8   15    9                                       
CONECT   19   31   31   10   33                                       
CONECT   20   38   38   35   31                                       
CONECT   21    1   42   25   72                                       
CONECT   22   28   43    2   73                                       
CONECT   23   40   24   27   74                                       
CONECT   24   41   23   28   75                                       
CONECT   25   21   44   13   76                                       
CONECT   26   42   35   14   77                                       
CONECT   27   23   44   43   78                                       
CONECT   28   24   34   22   79                                       
CONECT   29   16   30   12    5                                       
CONECT   30   29   80   81                                            
CONECT   31   20   19   19                                            
CONECT   32   17   16   82                                            
CONECT   33   19   15   83                                            
CONECT   34    3    4   28                                            
CONECT   35   26   20   11                                            
CONECT   36   15   15                                                 
CONECT   37   16   16                                                 
CONECT   38   20   20                                                 
CONECT   39   12   84                                                 
CONECT   40   23   85                                                 
CONECT   41   24   86                                                 
CONECT   42   21   26                                                 
CONECT   43   27   22                                                 
CONECT   44   25   27                                                 
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    4                                                      
CONECT   57    5                                                      
CONECT   58    5                                                      
CONECT   59    5                                                      
CONECT   60    6                                                      
CONECT   61    7                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   12                                                      
CONECT   67   12                                                      
CONECT   68   13                                                      
CONECT   69   13                                                      
CONECT   70   14                                                      
CONECT   71   14                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   30                                                      
CONECT   81   30                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   41                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
