COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.600   1.097  -1.276  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.001   0.850   1.061  1.00  0.00           C  
HETATM    3  C   UNL     1       3.529   0.372   1.584  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.889   0.673  -0.240  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.779   1.439  -0.402  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.904   2.560   0.351  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.133   2.502   1.011  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.742   1.315   0.633  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.893   3.673   0.457  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.177   4.725  -0.617  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.166   5.837  -0.511  1.00  0.00           C  
HETATM   12  O   UNL     1       0.694   5.793   0.337  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.221   6.877  -1.358  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.692   3.535   1.955  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.189  -0.734  -0.819  1.00  0.00           N  
HETATM   16  C   UNL     1      -5.639  -0.161   0.365  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.844  -0.773   0.739  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.140  -1.730  -0.221  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.061  -1.684  -1.209  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.667  -0.450   1.959  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.314  -2.621  -0.241  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.467  -3.496  -1.230  1.00  0.00           C  
HETATM   23  N   UNL     1       5.433  -1.052   0.641  1.00  0.00           N  
HETATM   24  C   UNL     1       6.450  -0.931  -0.259  1.00  0.00           C  
HETATM   25  C   UNL     1       6.416   0.312  -0.789  1.00  0.00           C  
HETATM   26  C   UNL     1       5.286   1.003  -0.161  1.00  0.00           C  
HETATM   27  C   UNL     1       4.726   0.113   0.705  1.00  0.00           C  
HETATM   28  C   UNL     1       7.355   0.877  -1.824  1.00  0.00           C  
HETATM   29  C   UNL     1       4.844   2.390  -0.416  1.00  0.00           C  
HETATM   30  C   UNL     1       5.722   3.383  -0.382  1.00  0.00           C  
HETATM   31  N   UNL     1       1.530   1.044   0.138  1.00  0.00           N  
HETATM   32  C   UNL     1       2.267   0.110   0.804  1.00  0.00           C  
HETATM   33  C   UNL     1       1.671  -1.089   0.644  1.00  0.00           C  
HETATM   34  C   UNL     1       0.525  -0.888  -0.150  1.00  0.00           C  
HETATM   35  C   UNL     1       0.463   0.427  -0.445  1.00  0.00           C  
HETATM   36  C   UNL     1       2.144  -2.403   1.210  1.00  0.00           C  
HETATM   37  O   UNL     1       7.350  -1.900  -0.571  1.00  0.00           O  
HETATM   38  C   UNL     1      -0.454  -1.947  -0.589  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.568  -2.074   0.451  1.00  0.00           C  
HETATM   40  C   UNL     1       7.353  -2.804   1.670  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.546  -3.133   0.012  1.00  0.00           C  
HETATM   42  O   UNL     1      -2.370  -3.725  -1.026  1.00  0.00           O  
HETATM   43  O   UNL     1      -3.613  -3.419   0.775  1.00  0.00           O  
HETATM   44  C   UNL     1       5.957  -3.825  -0.133  1.00  0.00           C  
HETATM   45  C   UNL     1       7.278  -3.117   0.174  1.00  0.00           C  
HETATM   46  O   UNL     1      -5.968  -2.380  -2.206  1.00  0.00           O  
HETATM   47  C   UNL     1       8.446  -4.024  -0.217  1.00  0.00           C  
HETATM   48  H   UNL     1      -0.920   0.423  -2.070  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.197   2.010  -1.714  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.468   1.282   1.934  1.00  0.00           H  
HETATM   51  H   UNL     1       3.565  -0.289   2.450  1.00  0.00           H  
HETATM   52  H   UNL     1       3.541   1.410   1.918  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.961   4.133   1.443  1.00  0.00           H  
HETATM   54  H   UNL     1       0.109   3.268   0.313  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.274   4.265   1.393  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.333   3.047   2.689  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.873   4.040   2.468  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.109   4.265  -1.603  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.179   5.129  -0.473  1.00  0.00           H  
HETATM   60  H   UNL     1       0.449   7.566  -1.251  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.379  -0.487  -1.291  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.389   0.330   1.715  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.196  -1.344   2.288  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.011  -0.101   2.758  1.00  0.00           H  
HETATM   65  H   UNL     1       5.238  -1.850   1.157  1.00  0.00           H  
HETATM   66  H   UNL     1       6.960   0.677  -2.820  1.00  0.00           H  
HETATM   67  H   UNL     1       7.450   1.953  -1.679  1.00  0.00           H  
HETATM   68  H   UNL     1       8.334   0.408  -1.720  1.00  0.00           H  
HETATM   69  H   UNL     1       3.805   2.595  -0.630  1.00  0.00           H  
HETATM   70  H   UNL     1       6.760   3.178  -0.168  1.00  0.00           H  
HETATM   71  H   UNL     1       5.398   4.397  -0.569  1.00  0.00           H  
HETATM   72  H   UNL     1       1.730   1.992   0.090  1.00  0.00           H  
HETATM   73  H   UNL     1       1.700  -2.556   2.194  1.00  0.00           H  
HETATM   74  H   UNL     1       1.845  -3.214   0.546  1.00  0.00           H  
HETATM   75  H   UNL     1       3.230  -2.390   1.300  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.884  -1.667  -1.551  1.00  0.00           H  
HETATM   77  H   UNL     1       0.064  -2.901  -0.687  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.138  -2.354   1.413  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.085  -1.120   0.549  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.213  -4.106   0.452  1.00  0.00           H  
HETATM   81  H   UNL     1       5.969  -4.187  -1.161  1.00  0.00           H  
HETATM   82  H   UNL     1       5.829  -4.667   0.547  1.00  0.00           H  
HETATM   83  H   UNL     1       5.131  -3.125  -0.005  1.00  0.00           H  
HETATM   84  H   UNL     1       6.479  -2.222   1.964  1.00  0.00           H  
HETATM   85  H   UNL     1       7.375  -3.736   2.235  1.00  0.00           H  
HETATM   86  H   UNL     1       8.257  -2.232   1.877  1.00  0.00           H  
HETATM   87  H   UNL     1       9.387  -3.520   0.002  1.00  0.00           H  
HETATM   88  H   UNL     1       8.391  -4.953   0.352  1.00  0.00           H  
HETATM   89  H   UNL     1       8.392  -4.247  -1.282  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.049  -2.564   0.548  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.327  -4.149  -1.245  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.732  -3.553  -2.019  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.056  -0.180  -0.670  1.00  0.00           H  
CONECT    1    5   35   48   49                                       
CONECT    2    8   16   16   50                                       
CONECT    3   27   32   51   52                                       
CONECT    4    5    8   93                                            
CONECT    5    1    4    6    6                                       
CONECT    6    5    5    7    9                                       
CONECT    7    6    8    8   14                                       
CONECT    8    2    4    7    7                                       
CONECT    9    6   10   53   54                                       
CONECT   10    9   11   58   59                                       
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   60                                                 
CONECT   14    7   55   56   57                                       
CONECT   15   16   19   61                                            
CONECT   16    2    2   15   17                                       
CONECT   17   16   20   18   18                                       
CONECT   18   17   17   21   19                                       
CONECT   19   15   18   46   46                                       
CONECT   20   17   62   63   64                                       
CONECT   21   18   22   22   90                                       
CONECT   22   21   21   91   92                                       
CONECT   23   24   27   65                                            
CONECT   24   23   25   25   37                                       
CONECT   25   24   24   26   28                                       
CONECT   26   25   27   27   29                                       
CONECT   27    3   23   26   26                                       
CONECT   28   25   66   67   68                                       
CONECT   29   26   30   30   69                                       
CONECT   30   29   29   70   71                                       
CONECT   31   32   35   72                                            
CONECT   32    3   31   33   33                                       
CONECT   33   32   32   34   36                                       
CONECT   34   33   35   35   38                                       
CONECT   35    1   31   34   34                                       
CONECT   36   33   73   74   75                                       
CONECT   37   24   45                                                 
CONECT   38   34   39   76   77                                       
CONECT   39   38   41   78   79                                       
CONECT   40   45   84   85   86                                       
CONECT   41   39   43   42   42                                       
CONECT   42   41   41                                                 
CONECT   43   41   80                                                 
CONECT   44   45   81   82   83                                       
CONECT   45   37   44   40   47                                       
CONECT   46   19   19                                                 
CONECT   47   45   87   88   89                                       
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   13                                                      
CONECT   61   15                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   23                                                      
CONECT   66   28                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   36                                                      
CONECT   74   36                                                      
CONECT   75   36                                                      
CONECT   76   38                                                      
CONECT   77   38                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
CONECT   80   43                                                      
CONECT   81   44                                                      
CONECT   82   44                                                      
CONECT   83   44                                                      
CONECT   84   40                                                      
CONECT   85   40                                                      
CONECT   86   40                                                      
CONECT   87   47                                                      
CONECT   88   47                                                      
CONECT   89   47                                                      
CONECT   90   21                                                      
CONECT   91   22                                                      
CONECT   92   22                                                      
CONECT   93    4                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
