COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.235  -0.448  -0.568  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.052  -0.858  -0.221  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.134   0.148  -0.087  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.912   2.404  -0.177  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.873   1.505  -0.313  1.00  0.00           C  
HETATM    6  C   UNL     1       5.735   5.515   1.827  1.00  0.00           C  
HETATM    7  C   UNL     1       5.411   4.226   1.117  1.00  0.00           C  
HETATM    8  C   UNL     1       4.429   3.121  -0.711  1.00  0.00           C  
HETATM    9  C   UNL     1       5.800   3.047   1.657  1.00  0.00           C  
HETATM   10  C   UNL     1       5.929   0.527   1.595  1.00  0.00           C  
HETATM   11  C   UNL     1       5.501   1.845   1.002  1.00  0.00           C  
HETATM   12  C   UNL     1       2.614  -0.953  -1.069  1.00  0.00           C  
HETATM   13  C   UNL     1       1.253  -1.384  -0.701  1.00  0.00           C  
HETATM   14  C   UNL     1       4.818   1.880  -0.178  1.00  0.00           C  
HETATM   15  C   UNL     1       4.483   0.602  -0.903  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.372  -6.891   2.125  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.135  -6.109   1.681  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.441  -5.367   0.378  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.701  -6.381  -0.738  1.00  0.00           C  
HETATM   20  C   UNL     1       0.971  -4.969  -0.232  1.00  0.00           C  
HETATM   21  C   UNL     1       1.764  -3.927  -0.535  1.00  0.00           C  
HETATM   22  C   UNL     1       3.231  -3.997  -0.872  1.00  0.00           C  
HETATM   23  C   UNL     1       0.976  -2.751  -0.482  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.174   1.936   0.177  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.414   3.616  -0.916  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.525   4.647  -0.697  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.576   3.172   0.909  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.465   2.142   0.691  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.423  -0.245   0.260  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.329  -2.204   0.002  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.326  -3.153  -0.132  1.00  0.00           C  
HETATM   32  N   UNL     1      -0.298  -4.525   0.016  1.00  0.00           N  
HETATM   33  N   UNL     1       3.130   0.174  -0.538  1.00  0.00           N  
HETATM   34  N   UNL     1       4.726   4.259  -0.054  1.00  0.00           N  
HETATM   35  N   UNL     1      -5.225   2.835   0.314  1.00  0.00           N  
HETATM   36  N   UNL     1      -7.765   3.954  -0.321  1.00  0.00           N  
HETATM   37  N   UNL     1      -4.388   0.645   0.379  1.00  0.00           N  
HETATM   38  O   UNL     1       3.271  -1.613  -1.850  1.00  0.00           O  
HETATM   39  O   UNL     1       3.817   3.168  -1.766  1.00  0.00           O  
HETATM   40  H   UNL     1       0.439   0.599  -0.739  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.747   3.458  -0.343  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.884   1.839  -0.587  1.00  0.00           H  
HETATM   43  H   UNL     1       5.343   6.355   1.254  1.00  0.00           H  
HETATM   44  H   UNL     1       5.281   5.508   2.818  1.00  0.00           H  
HETATM   45  H   UNL     1       6.817   5.614   1.924  1.00  0.00           H  
HETATM   46  H   UNL     1       6.340   3.034   2.592  1.00  0.00           H  
HETATM   47  H   UNL     1       6.457   0.705   2.531  1.00  0.00           H  
HETATM   48  H   UNL     1       5.050  -0.089   1.785  1.00  0.00           H  
HETATM   49  H   UNL     1       6.590   0.012   0.897  1.00  0.00           H  
HETATM   50  H   UNL     1       4.533   0.771  -1.979  1.00  0.00           H  
HETATM   51  H   UNL     1       5.197  -0.172  -0.623  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.155  -7.419   3.053  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.200  -6.200   2.286  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.645  -7.610   1.352  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.863  -5.390   2.453  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.307  -6.800   1.519  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.323  -4.742   0.515  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.818  -7.005  -0.874  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.551  -7.007  -0.468  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.919  -5.852  -1.666  1.00  0.00           H  
HETATM   61  H   UNL     1       1.288  -6.001  -0.191  1.00  0.00           H  
HETATM   62  H   UNL     1       3.355  -4.017  -1.955  1.00  0.00           H  
HETATM   63  H   UNL     1       3.739  -3.122  -0.465  1.00  0.00           H  
HETATM   64  H   UNL     1       3.661  -4.900  -0.440  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.693   2.949  -1.731  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.486   4.130  -1.167  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.234   5.331   0.100  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.686   5.208  -1.617  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.504   2.658   1.160  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.298   3.840   1.725  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.304   1.581   1.611  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.756   1.458  -0.107  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.635  -1.290   0.432  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.329  -2.510   0.271  1.00  0.00           H  
HETATM   75  H   UNL     1       2.606   0.700   0.085  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.095   3.368  -1.074  1.00  0.00           H  
HETATM   77  H   UNL     1       4.451   5.112  -0.425  1.00  0.00           H  
CONECT    1   13    2    2   40                                       
CONECT    2    1    1   30    3                                       
CONECT    3    2   29   29    5                                       
CONECT    4    5    5   24   41                                       
CONECT    5    3    4    4   42                                       
CONECT    6    7   43   44   45                                       
CONECT    7    9    9    6   34                                       
CONECT    8   14   34   39   39                                       
CONECT    9   11    7    7   46                                       
CONECT   10   11   47   48   49                                       
CONECT   11   10    9   14   14                                       
CONECT   12   38   38   33   13                                       
CONECT   13   12   23   23    1                                       
CONECT   14   11   11   15    8                                       
CONECT   15   14   33   50   51                                       
CONECT   16   17   52   53   54                                       
CONECT   17   16   18   55   56                                       
CONECT   18   32   19   17   57                                       
CONECT   19   18   58   59   60                                       
CONECT   20   21   21   32   61                                       
CONECT   21   22   20   20   23                                       
CONECT   22   21   62   63   64                                       
CONECT   23   21   13   13   31                                       
CONECT   24   37   37    4   35                                       
CONECT   25   35   26   65   66                                       
CONECT   26   25   36   67   68                                       
CONECT   27   28   36   69   70                                       
CONECT   28   35   27   71   72                                       
CONECT   29    3    3   37   73                                       
CONECT   30   31   31    2   74                                       
CONECT   31   23   32   30   30                                       
CONECT   32   20   31   18                                            
CONECT   33   15   12   75                                            
CONECT   34    7    8   77                                            
CONECT   35   24   28   25                                            
CONECT   36   27   26   76                                            
CONECT   37   29   24   24                                            
CONECT   38   12   12                                                 
CONECT   39    8    8                                                 
CONECT   40    1                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   33                                                      
CONECT   76   36                                                      
CONECT   77   34                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
