COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.833   1.612   1.721  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.697   2.276   0.646  1.00  0.00           C  
HETATM    3  N   UNL     1      -7.852   3.133  -0.198  1.00  0.00           N  
HETATM    4  C   UNL     1      -8.659   3.847  -1.196  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.790   2.349  -0.842  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.926   1.685   0.233  1.00  0.00           C  
HETATM    7  N   UNL     1      -6.771   0.828   1.077  1.00  0.00           N  
HETATM    8  C   UNL     1      -5.964   0.113   2.075  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.052  -0.863   1.378  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.788  -0.463   0.982  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.948  -1.352   0.345  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.480  -2.158   1.143  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.649  -3.057   0.506  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.375  -2.658   0.099  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.480  -3.616  -0.584  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.853  -4.754  -0.792  1.00  0.00           O  
HETATM   17  N   UNL     1      -1.250  -3.227  -0.976  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.363  -4.177  -1.652  1.00  0.00           C  
HETATM   19  C   UNL     1       0.941  -3.498  -1.982  1.00  0.00           C  
HETATM   20  C   UNL     1       1.984  -3.526  -1.075  1.00  0.00           C  
HETATM   21  C   UNL     1       1.097  -2.852  -3.195  1.00  0.00           C  
HETATM   22  C   UNL     1       2.293  -2.230  -3.498  1.00  0.00           C  
HETATM   23  C   UNL     1       3.334  -2.253  -2.588  1.00  0.00           C  
HETATM   24  C   UNL     1       3.180  -2.903  -1.378  1.00  0.00           C  
HETATM   25  C   UNL     1       4.315  -2.928  -0.387  1.00  0.00           C  
HETATM   26  O   UNL     1       4.216  -1.796   0.480  1.00  0.00           O  
HETATM   27  C   UNL     1       5.250  -1.725   1.463  1.00  0.00           C  
HETATM   28  C   UNL     1       4.789  -2.409   2.766  1.00  0.00           C  
HETATM   29  C   UNL     1       5.393  -1.533   3.891  1.00  0.00           C  
HETATM   30  C   UNL     1       5.246  -0.099   3.323  1.00  0.00           C  
HETATM   31  C   UNL     1       5.541  -0.256   1.817  1.00  0.00           C  
HETATM   32  N   UNL     1       4.670   0.629   1.040  1.00  0.00           N  
HETATM   33  C   UNL     1       5.050   1.897   0.788  1.00  0.00           C  
HETATM   34  O   UNL     1       6.116   2.306   1.206  1.00  0.00           O  
HETATM   35  C   UNL     1       4.172   2.790   0.004  1.00  0.00           C  
HETATM   36  C   UNL     1       2.917   2.308  -0.488  1.00  0.00           C  
HETATM   37  N   UNL     1       1.921   1.925  -0.879  1.00  0.00           N  
HETATM   38  C   UNL     1       4.552   4.057  -0.248  1.00  0.00           C  
HETATM   39  C   UNL     1       3.723   4.925  -1.159  1.00  0.00           C  
HETATM   40  C   UNL     1       3.568   4.237  -2.516  1.00  0.00           C  
HETATM   41  C   UNL     1       2.343   5.145  -0.537  1.00  0.00           C  
HETATM   42  C   UNL     1       4.418   6.275  -1.348  1.00  0.00           C  
HETATM   43  H   UNL     1      -7.386   2.380   2.353  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.453   0.954   2.330  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.166   1.508   0.031  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.468   2.882   1.122  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.394   4.472  -0.689  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.009   4.474  -1.807  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.171   3.126  -1.833  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.237   1.581  -1.474  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.171   3.007  -1.452  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.155   1.079  -0.243  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.457   2.453   0.848  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.367   0.830   2.640  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.623  -0.426   2.755  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.459   0.548   1.172  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.962  -1.038   0.035  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.465  -2.465   1.459  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.984  -4.067   0.324  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.953  -2.319  -0.809  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.175  -5.028  -0.998  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.835  -4.523  -2.572  1.00  0.00           H  
HETATM   63  H   UNL     1       1.863  -4.034  -0.130  1.00  0.00           H  
HETATM   64  H   UNL     1       0.284  -2.834  -3.905  1.00  0.00           H  
HETATM   65  H   UNL     1       2.415  -1.726  -4.445  1.00  0.00           H  
HETATM   66  H   UNL     1       4.269  -1.767  -2.825  1.00  0.00           H  
HETATM   67  H   UNL     1       4.261  -3.843   0.203  1.00  0.00           H  
HETATM   68  H   UNL     1       5.265  -2.895  -0.921  1.00  0.00           H  
HETATM   69  H   UNL     1       6.155  -2.205   1.089  1.00  0.00           H  
HETATM   70  H   UNL     1       3.700  -2.414   2.830  1.00  0.00           H  
HETATM   71  H   UNL     1       5.177  -3.426   2.822  1.00  0.00           H  
HETATM   72  H   UNL     1       4.825  -1.643   4.814  1.00  0.00           H  
HETATM   73  H   UNL     1       6.443  -1.778   4.050  1.00  0.00           H  
HETATM   74  H   UNL     1       4.231   0.269   3.476  1.00  0.00           H  
HETATM   75  H   UNL     1       5.970   0.571   3.786  1.00  0.00           H  
HETATM   76  H   UNL     1       6.587  -0.023   1.615  1.00  0.00           H  
HETATM   77  H   UNL     1       3.820   0.302   0.706  1.00  0.00           H  
HETATM   78  H   UNL     1       5.451   4.451   0.203  1.00  0.00           H  
HETATM   79  H   UNL     1       3.072   3.276  -2.382  1.00  0.00           H  
HETATM   80  H   UNL     1       2.968   4.865  -3.175  1.00  0.00           H  
HETATM   81  H   UNL     1       4.551   4.081  -2.959  1.00  0.00           H  
HETATM   82  H   UNL     1       2.447   5.712   0.388  1.00  0.00           H  
HETATM   83  H   UNL     1       1.714   5.700  -1.234  1.00  0.00           H  
HETATM   84  H   UNL     1       1.883   4.181  -0.322  1.00  0.00           H  
HETATM   85  H   UNL     1       5.402   6.119  -1.791  1.00  0.00           H  
HETATM   86  H   UNL     1       3.819   6.903  -2.007  1.00  0.00           H  
HETATM   87  H   UNL     1       4.529   6.766  -0.381  1.00  0.00           H  
CONECT    1    7    2   43   44                                       
CONECT    2    1    3   45   46                                       
CONECT    3    2    5    4                                            
CONECT    4    3   47   48   49                                       
CONECT    5    6    3   50   51                                       
CONECT    6    7    5   52   53                                       
CONECT    7    8    1    6                                            
CONECT    8    9    7   54   55                                       
CONECT    9   12   12   10    8                                       
CONECT   10   11   11    9   56                                       
CONECT   11   14   10   10   57                                       
CONECT   12   13    9    9   58                                       
CONECT   13   14   14   12   59                                       
CONECT   14   15   13   13   11                                       
CONECT   15   17   16   16   14                                       
CONECT   16   15   15                                                 
CONECT   17   18   15   60                                            
CONECT   18   19   17   61   62                                       
CONECT   19   20   20   21   18                                       
CONECT   20   24   19   19   63                                       
CONECT   21   22   22   19   64                                       
CONECT   22   23   21   21   65                                       
CONECT   23   24   24   22   66                                       
CONECT   24   25   23   23   20                                       
CONECT   25   26   24   67   68                                       
CONECT   26   27   25                                                 
CONECT   27   28   31   26   69                                       
CONECT   28   29   27   70   71                                       
CONECT   29   28   30   72   73                                       
CONECT   30   29   31   74   75                                       
CONECT   31   30   27   32   76                                       
CONECT   32   31   33   77                                            
CONECT   33   32   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   36   38   38                                       
CONECT   36   37   37   37   35                                       
CONECT   37   36   36   36                                            
CONECT   38   35   35   39   78                                       
CONECT   39   38   41   42   40                                       
CONECT   40   39   79   80   81                                       
CONECT   41   39   82   83   84                                       
CONECT   42   39   85   86   87                                       
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   38                                                      
CONECT   79   40                                                      
CONECT   80   40                                                      
CONECT   81   40                                                      
CONECT   82   41                                                      
CONECT   83   41                                                      
CONECT   84   41                                                      
CONECT   85   42                                                      
CONECT   86   42                                                      
CONECT   87   42                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
