COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.338  -1.164   2.602  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.743  -2.646   2.687  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.817  -2.872   1.602  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.558  -1.746   0.571  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.179  -0.542   1.469  1.00  0.00           C  
HETATM    6  N   UNL     1      -5.383   0.430   0.714  1.00  0.00           N  
HETATM    7  C   UNL     1      -5.778   1.761   0.639  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.906   2.514   1.798  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.260   3.846   1.723  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.489   4.440   0.493  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.381   3.704  -0.667  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.042   2.348  -0.607  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.018   1.549  -1.838  1.00  0.00           C  
HETATM   14  O   UNL     1      -6.865   1.797  -2.674  1.00  0.00           O  
HETATM   15  N   UNL     1      -5.157   0.582  -2.120  1.00  0.00           N  
HETATM   16  C   UNL     1      -5.336  -0.105  -3.401  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.097   0.151  -1.322  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.884  -0.188  -1.905  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.903  -0.641  -1.137  1.00  0.00           N  
HETATM   20  C   UNL     1      -4.220   0.038   0.068  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.202  -0.440   0.776  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.067  -0.776   0.169  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.024  -1.280   0.933  1.00  0.00           N  
HETATM   24  C   UNL     1       0.218  -1.516   0.346  1.00  0.00           C  
HETATM   25  C   UNL     1       1.020  -2.562   0.808  1.00  0.00           C  
HETATM   26  C   UNL     1       2.250  -2.797   0.228  1.00  0.00           C  
HETATM   27  O   UNL     1       0.588  -3.350   1.829  1.00  0.00           O  
HETATM   28  C   UNL     1       1.459  -4.401   2.250  1.00  0.00           C  
HETATM   29  C   UNL     1       0.655  -0.713  -0.701  1.00  0.00           C  
HETATM   30  C   UNL     1       1.882  -0.943  -1.284  1.00  0.00           C  
HETATM   31  C   UNL     1       2.690  -1.985  -0.822  1.00  0.00           C  
HETATM   32  C   UNL     1       4.005  -2.232  -1.446  1.00  0.00           C  
HETATM   33  O   UNL     1       4.330  -3.364  -1.750  1.00  0.00           O  
HETATM   34  N   UNL     1       4.844  -1.204  -1.678  1.00  0.00           N  
HETATM   35  C   UNL     1       6.193  -1.444  -2.209  1.00  0.00           C  
HETATM   36  C   UNL     1       7.213  -0.769  -1.287  1.00  0.00           C  
HETATM   37  C   UNL     1       4.426   0.179  -1.411  1.00  0.00           C  
HETATM   38  C   UNL     1       5.462   0.840  -0.496  1.00  0.00           C  
HETATM   39  C   UNL     1       6.853   0.710  -1.131  1.00  0.00           C  
HETATM   40  N   UNL     1       7.849   1.368  -0.274  1.00  0.00           N  
HETATM   41  C   UNL     1       7.603   2.815  -0.197  1.00  0.00           C  
HETATM   42  C   UNL     1       8.704   3.473   0.638  1.00  0.00           C  
HETATM   43  N   UNL     1       8.723   2.873   1.979  1.00  0.00           N  
HETATM   44  C   UNL     1       7.476   3.158   2.701  1.00  0.00           C  
HETATM   45  C   UNL     1       8.969   1.426   1.902  1.00  0.00           C  
HETATM   46  C   UNL     1       7.868   0.768   1.068  1.00  0.00           C  
HETATM   47  H   UNL     1      -5.554  -0.664   3.546  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.276  -1.081   2.369  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.879  -3.282   2.495  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.156  -2.865   3.672  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.075  -0.070   1.873  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.690  -3.851   1.138  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.815  -2.777   2.028  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.733  -2.010  -0.090  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.460  -1.532  -0.002  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.727   2.057   2.760  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.361   4.427   2.628  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.752   5.486   0.442  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.560   4.174  -1.623  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.191   0.322  -3.926  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.439   0.018  -4.008  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.512  -1.166  -3.223  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.742  -0.084  -2.970  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.159  -1.467   1.875  1.00  0.00           H  
HETATM   65  H   UNL     1       0.031   0.092  -1.059  1.00  0.00           H  
HETATM   66  H   UNL     1       2.871  -3.605   0.584  1.00  0.00           H  
HETATM   67  H   UNL     1       1.641  -5.078   1.416  1.00  0.00           H  
HETATM   68  H   UNL     1       2.405  -3.977   2.587  1.00  0.00           H  
HETATM   69  H   UNL     1       0.996  -4.951   3.070  1.00  0.00           H  
HETATM   70  H   UNL     1       2.219  -0.318  -2.097  1.00  0.00           H  
HETATM   71  H   UNL     1       6.386  -2.516  -2.245  1.00  0.00           H  
HETATM   72  H   UNL     1       6.272  -1.023  -3.211  1.00  0.00           H  
HETATM   73  H   UNL     1       4.364   0.729  -2.350  1.00  0.00           H  
HETATM   74  H   UNL     1       3.453   0.178  -0.920  1.00  0.00           H  
HETATM   75  H   UNL     1       7.197  -1.253  -0.310  1.00  0.00           H  
HETATM   76  H   UNL     1       8.210  -0.857  -1.720  1.00  0.00           H  
HETATM   77  H   UNL     1       6.846   1.187  -2.111  1.00  0.00           H  
HETATM   78  H   UNL     1       5.215   1.893  -0.368  1.00  0.00           H  
HETATM   79  H   UNL     1       5.459   0.344   0.475  1.00  0.00           H  
HETATM   80  H   UNL     1       7.606   3.238  -1.201  1.00  0.00           H  
HETATM   81  H   UNL     1       6.635   2.995   0.271  1.00  0.00           H  
HETATM   82  H   UNL     1       6.903   0.925   1.550  1.00  0.00           H  
HETATM   83  H   UNL     1       8.064  -0.301   0.985  1.00  0.00           H  
HETATM   84  H   UNL     1       9.669   3.316   0.156  1.00  0.00           H  
HETATM   85  H   UNL     1       8.509   4.542   0.720  1.00  0.00           H  
HETATM   86  H   UNL     1       6.633   2.746   2.146  1.00  0.00           H  
HETATM   87  H   UNL     1       7.517   2.702   3.690  1.00  0.00           H  
HETATM   88  H   UNL     1       7.353   4.236   2.802  1.00  0.00           H  
HETATM   89  H   UNL     1       9.937   1.246   1.434  1.00  0.00           H  
HETATM   90  H   UNL     1       8.966   1.003   2.907  1.00  0.00           H  
CONECT    1    2    5   47   48                                       
CONECT    2    1    3   49   50                                       
CONECT    3    2    4   52   53                                       
CONECT    4    3    5   54   55                                       
CONECT    5    1    4    6   51                                       
CONECT    6    5    7   20                                            
CONECT    7    6    8   12   12                                       
CONECT    8    7    9    9   56                                       
CONECT    9    8    8   10   57                                       
CONECT   10    9   11   11   58                                       
CONECT   11   10   10   12   59                                       
CONECT   12    7    7   11   13                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   17                                            
CONECT   16   15   60   61   62                                       
CONECT   17   15   18   18   20                                       
CONECT   18   17   17   19   63                                       
CONECT   19   18   22   22                                            
CONECT   20    6   17   21   21                                       
CONECT   21   20   20   22                                            
CONECT   22   19   19   21   23                                       
CONECT   23   22   24   64                                            
CONECT   24   23   25   29   29                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25   31   66                                       
CONECT   27   25   28                                                 
CONECT   28   27   67   68   69                                       
CONECT   29   24   24   30   65                                       
CONECT   30   29   31   31   70                                       
CONECT   31   26   30   30   32                                       
CONECT   32   31   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   35   37                                            
CONECT   35   34   36   71   72                                       
CONECT   36   35   39   75   76                                       
CONECT   37   34   38   73   74                                       
CONECT   38   37   39   78   79                                       
CONECT   39   36   38   40   77                                       
CONECT   40   39   41   46                                            
CONECT   41   40   42   80   81                                       
CONECT   42   41   43   84   85                                       
CONECT   43   42   44   45                                            
CONECT   44   43   86   87   88                                       
CONECT   45   43   46   89   90                                       
CONECT   46   40   45   82   83                                       
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    5                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   18                                                      
CONECT   64   23                                                      
CONECT   65   29                                                      
CONECT   66   26                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   30                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
CONECT   73   37                                                      
CONECT   74   37                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   39                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
CONECT   80   41                                                      
CONECT   81   41                                                      
CONECT   82   46                                                      
CONECT   83   46                                                      
CONECT   84   42                                                      
CONECT   85   42                                                      
CONECT   86   44                                                      
CONECT   87   44                                                      
CONECT   88   44                                                      
CONECT   89   45                                                      
CONECT   90   45                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
