COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       9.631   0.223   0.584  1.00  0.00           N  
HETATM    2  C   UNL     1       9.510  -0.887  -0.280  1.00  0.00           C  
HETATM    3  C   UNL     1       9.160  -2.110   0.216  1.00  0.00           C  
HETATM    4  N   UNL     1       9.055  -3.173  -0.644  1.00  0.00           N  
HETATM    5  C   UNL     1       9.295  -3.000  -1.972  1.00  0.00           C  
HETATM    6  N   UNL     1       9.185  -4.072  -2.819  1.00  0.00           N  
HETATM    7  N   UNL     1       9.630  -1.825  -2.461  1.00  0.00           N  
HETATM    8  C   UNL     1       9.748  -0.751  -1.663  1.00  0.00           C  
HETATM    9  O   UNL     1      10.059   0.336  -2.132  1.00  0.00           O  
HETATM   10  N   UNL     1       8.913  -2.271   1.565  1.00  0.00           N  
HETATM   11  C   UNL     1       9.388  -1.247   2.507  1.00  0.00           C  
HETATM   12  C   UNL     1      10.903  -1.368   2.680  1.00  0.00           C  
HETATM   13  C   UNL     1       9.047   0.131   1.932  1.00  0.00           C  
HETATM   14  C   UNL     1       7.527   0.284   1.849  1.00  0.00           C  
HETATM   15  C   UNL     1       6.940   0.312   3.262  1.00  0.00           C  
HETATM   16  N   UNL     1       7.199   1.533   1.158  1.00  0.00           N  
HETATM   17  C   UNL     1       5.973   1.667   0.502  1.00  0.00           C  
HETATM   18  C   UNL     1       5.063   0.618   0.507  1.00  0.00           C  
HETATM   19  C   UNL     1       3.852   0.753  -0.143  1.00  0.00           C  
HETATM   20  C   UNL     1       5.661   2.851  -0.154  1.00  0.00           C  
HETATM   21  C   UNL     1       4.448   2.980  -0.802  1.00  0.00           C  
HETATM   22  C   UNL     1       3.546   1.931  -0.799  1.00  0.00           C  
HETATM   23  C   UNL     1       2.223   2.076  -1.508  1.00  0.00           C  
HETATM   24  C   UNL     1       1.185   2.644  -0.539  1.00  0.00           C  
HETATM   25  O   UNL     1       0.950   1.705   0.512  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.123   2.907  -1.289  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.547   1.708  -1.941  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.198   3.357  -0.298  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.324   2.385   0.742  1.00  0.00           O  
HETATM   30  C   UNL     1      -2.536   3.500  -1.027  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.513   4.031  -0.129  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.805   4.204  -0.714  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.712   4.998   0.247  1.00  0.00           C  
HETATM   34  O   UNL     1      -4.995   5.358   1.429  1.00  0.00           O  
HETATM   35  C   UNL     1      -6.858   4.015   0.586  1.00  0.00           C  
HETATM   36  O   UNL     1      -7.201   4.089   1.971  1.00  0.00           O  
HETATM   37  O   UNL     1      -5.421   2.923  -0.927  1.00  0.00           O  
HETATM   38  C   UNL     1      -6.221   2.643   0.246  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.303   1.611  -0.075  1.00  0.00           C  
HETATM   40  O   UNL     1      -6.698   0.331  -0.270  1.00  0.00           O  
HETATM   41  P   UNL     1      -7.542  -0.993  -0.625  1.00  0.00           P  
HETATM   42  O   UNL     1      -8.593  -1.197   0.397  1.00  0.00           O  
HETATM   43  O   UNL     1      -8.226  -0.822  -2.072  1.00  0.00           O  
HETATM   44  O   UNL     1      -6.558  -2.268  -0.644  1.00  0.00           O  
HETATM   45  C   UNL     1      -7.023  -3.607  -0.825  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.387  -4.196  -2.058  1.00  0.00           C  
HETATM   47  O   UNL     1      -5.548  -3.571  -2.662  1.00  0.00           O  
HETATM   48  O   UNL     1      -6.753  -5.415  -2.484  1.00  0.00           O  
HETATM   49  C   UNL     1      -6.644  -4.448   0.395  1.00  0.00           C  
HETATM   50  C   UNL     1      -7.388  -3.925   1.626  1.00  0.00           C  
HETATM   51  C   UNL     1      -7.016  -4.753   2.828  1.00  0.00           C  
HETATM   52  O   UNL     1      -7.551  -4.475   4.027  1.00  0.00           O  
HETATM   53  O   UNL     1      -6.235  -5.668   2.713  1.00  0.00           O  
HETATM   54  H   UNL     1       8.939  -4.943  -2.470  1.00  0.00           H  
HETATM   55  H   UNL     1       9.354  -3.960  -3.768  1.00  0.00           H  
HETATM   56  H   UNL     1       8.896  -1.378   3.471  1.00  0.00           H  
HETATM   57  H   UNL     1      11.392  -1.226   1.717  1.00  0.00           H  
HETATM   58  H   UNL     1      11.251  -0.608   3.379  1.00  0.00           H  
HETATM   59  H   UNL     1      11.147  -2.357   3.069  1.00  0.00           H  
HETATM   60  H   UNL     1       9.463   0.913   2.568  1.00  0.00           H  
HETATM   61  H   UNL     1       7.107  -0.558   1.298  1.00  0.00           H  
HETATM   62  H   UNL     1       7.360   1.153   3.813  1.00  0.00           H  
HETATM   63  H   UNL     1       5.857   0.421   3.203  1.00  0.00           H  
HETATM   64  H   UNL     1       7.184  -0.618   3.776  1.00  0.00           H  
HETATM   65  H   UNL     1       7.832   2.267   1.157  1.00  0.00           H  
HETATM   66  H   UNL     1       5.301  -0.303   1.019  1.00  0.00           H  
HETATM   67  H   UNL     1       3.143  -0.062  -0.139  1.00  0.00           H  
HETATM   68  H   UNL     1       6.365   3.670  -0.156  1.00  0.00           H  
HETATM   69  H   UNL     1       4.204   3.900  -1.312  1.00  0.00           H  
HETATM   70  H   UNL     1       2.337   2.751  -2.355  1.00  0.00           H  
HETATM   71  H   UNL     1       1.893   1.099  -1.863  1.00  0.00           H  
HETATM   72  H   UNL     1       1.555   3.578  -0.116  1.00  0.00           H  
HETATM   73  H   UNL     1       0.618   0.849   0.208  1.00  0.00           H  
HETATM   74  H   UNL     1       0.036   3.688  -2.032  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.708   0.969  -1.339  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.915   4.317   0.134  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.574   1.505   0.430  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.417   4.174  -1.875  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.862   2.522  -1.382  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.715   4.735  -1.662  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.103   5.888  -0.247  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.230   5.927   1.268  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.731   4.204  -0.040  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.520   4.957   2.251  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.591   2.299   1.066  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.010   1.556   0.753  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.829   1.906  -0.983  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.595  -0.684  -2.792  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.106  -3.603  -0.942  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.317  -5.751  -3.280  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.919  -5.488   0.220  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.569  -4.380   0.565  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.113  -2.885   1.802  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.463  -3.993   1.457  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.281  -5.034   4.769  1.00  0.00           H  
HETATM   96  H   UNL     1      10.093   1.026   0.298  1.00  0.00           H  
HETATM   97  H   UNL     1       8.810  -4.048  -0.305  1.00  0.00           H  
HETATM   98  H   UNL     1       8.432  -3.050   1.886  1.00  0.00           H  
CONECT    1   13    2   96                                            
CONECT    2    1    8    3    3                                       
CONECT    3    2    2   10    4                                       
CONECT    4    3    5   97                                            
CONECT    5    7    7    4    6                                       
CONECT    6    5   54   55                                            
CONECT    7    8    5    5                                            
CONECT    8    9    9    2    7                                       
CONECT    9    8    8                                                 
CONECT   10   11    3   98                                            
CONECT   11   13   12   10   56                                       
CONECT   12   11   57   58   59                                       
CONECT   13   14    1   11   60                                       
CONECT   14   16   15   13   61                                       
CONECT   15   14   62   63   64                                       
CONECT   16   17   14   65                                            
CONECT   17   18   16   20   20                                       
CONECT   18   19   19   17   66                                       
CONECT   19   18   18   22   67                                       
CONECT   20   17   17   21   68                                       
CONECT   21   22   22   20   69                                       
CONECT   22   19   23   21   21                                       
CONECT   23   24   22   70   71                                       
CONECT   24   26   25   23   72                                       
CONECT   25   24   73                                                 
CONECT   26   27   28   24   74                                       
CONECT   27   26   75                                                 
CONECT   28   30   26   29   76                                       
CONECT   29   28   77                                                 
CONECT   30   31   28   78   79                                       
CONECT   31   32   30                                                 
CONECT   32   33   37   31   80                                       
CONECT   33   35   34   32   81                                       
CONECT   34   33   82                                                 
CONECT   35   33   38   36   83                                       
CONECT   36   35   84                                                 
CONECT   37   38   32                                                 
CONECT   38   39   35   37   85                                       
CONECT   39   40   38   86   87                                       
CONECT   40   39   41                                                 
CONECT   41   44   40   42   42                                       
CONECT   41   43                                                      
CONECT   42   41   41                                                 
CONECT   43   41   88                                                 
CONECT   44   45   41                                                 
CONECT   45   46   44   49   89                                       
CONECT   46   47   47   48   45                                       
CONECT   47   46   46                                                 
CONECT   48   46   90                                                 
CONECT   49   45   50   91   92                                       
CONECT   50   51   49   93   94                                       
CONECT   51   53   53   50   52                                       
CONECT   52   51   95                                                 
CONECT   53   51   51                                                 
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   36                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   39                                                      
CONECT   88   43                                                      
CONECT   89   45                                                      
CONECT   90   48                                                      
CONECT   91   49                                                      
CONECT   92   49                                                      
CONECT   93   50                                                      
CONECT   94   50                                                      
CONECT   95   52                                                      
CONECT   96    1                                                      
CONECT   97    4                                                      
CONECT   98   10                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
