COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.061  -0.760   1.063  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.180  -1.094   2.134  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.172  -0.218   2.403  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.941  -0.371   1.758  1.00  0.00           C  
HETATM    5  C   UNL     1       0.121   0.497   1.998  1.00  0.00           C  
HETATM    6  N   UNL     1       1.298   0.334   1.369  1.00  0.00           N  
HETATM    7  C   UNL     1       2.270   1.221   1.662  1.00  0.00           C  
HETATM    8  N   UNL     1       2.194   2.253   2.517  1.00  0.00           N  
HETATM    9  C   UNL     1       1.003   2.388   3.130  1.00  0.00           C  
HETATM   10  N   UNL     1       0.875   3.465   4.041  1.00  0.00           N  
HETATM   11  C   UNL     1       1.800   4.122   4.868  1.00  0.00           C  
HETATM   12  C   UNL     1       2.898   3.416   5.372  1.00  0.00           C  
HETATM   13  C   UNL     1       3.827   4.054   6.194  1.00  0.00           C  
HETATM   14  N   UNL     1       4.920   3.344   6.694  1.00  0.00           N  
HETATM   15  C   UNL     1       5.257   1.992   6.485  1.00  0.00           C  
HETATM   16  O   UNL     1       4.594   1.219   5.796  1.00  0.00           O  
HETATM   17  C   UNL     1       6.464   1.532   7.193  1.00  0.00           C  
HETATM   18  C   UNL     1       7.197   0.483   6.673  1.00  0.00           C  
HETATM   19  C   UNL     1       8.324   0.088   7.376  1.00  0.00           C  
HETATM   20  N   UNL     1       8.738   0.663   8.527  1.00  0.00           N  
HETATM   21  C   UNL     1       7.985   1.684   8.993  1.00  0.00           C  
HETATM   22  C   UNL     1       6.843   2.155   8.365  1.00  0.00           C  
HETATM   23  N   UNL     1       8.369   2.315  10.180  1.00  0.00           N  
HETATM   24  C   UNL     1       9.083   1.520  11.189  1.00  0.00           C  
HETATM   25  C   UNL     1       8.959   2.188  12.554  1.00  0.00           C  
HETATM   26  O   UNL     1       9.404   3.543  12.487  1.00  0.00           O  
HETATM   27  C   UNL     1       8.582   4.299  11.598  1.00  0.00           C  
HETATM   28  C   UNL     1       8.683   3.748  10.179  1.00  0.00           C  
HETATM   29  C   UNL     1       3.664   5.401   6.517  1.00  0.00           C  
HETATM   30  C   UNL     1       2.572   6.110   6.019  1.00  0.00           C  
HETATM   31  C   UNL     1       1.642   5.473   5.196  1.00  0.00           C  
HETATM   32  C   UNL     1       0.482   6.257   4.676  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.081   1.541   2.916  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.315   1.702   3.568  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.352   0.819   3.305  1.00  0.00           C  
HETATM   36  O   UNL     1      -3.553   0.981   3.944  1.00  0.00           O  
HETATM   37  C   UNL     1      -4.230   2.213   3.732  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.727   1.990   3.841  1.00  0.00           C  
HETATM   39  N   UNL     1      -6.429   3.266   3.660  1.00  0.00           N  
HETATM   40  C   UNL     1      -7.876   3.088   3.795  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.435   4.343   3.143  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.360   4.794   2.158  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.238   3.776   2.301  1.00  0.00           C  
HETATM   44  H   UNL     1      -3.952   0.300   0.818  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.091  -0.973   1.357  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.802  -1.362   0.189  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.812  -1.191   1.052  1.00  0.00           H  
HETATM   48  H   UNL     1       3.216   1.083   1.151  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.070   3.827   4.103  1.00  0.00           H  
HETATM   50  H   UNL     1       3.025   2.366   5.120  1.00  0.00           H  
HETATM   51  H   UNL     1       5.562   3.877   7.292  1.00  0.00           H  
HETATM   52  H   UNL     1       6.917  -0.020   5.753  1.00  0.00           H  
HETATM   53  H   UNL     1       8.943  -0.729   7.019  1.00  0.00           H  
HETATM   54  H   UNL     1       6.271   2.980   8.780  1.00  0.00           H  
HETATM   55  H   UNL     1      10.138   1.449  10.900  1.00  0.00           H  
HETATM   56  H   UNL     1       8.674   0.504  11.245  1.00  0.00           H  
HETATM   57  H   UNL     1       7.925   2.162  12.919  1.00  0.00           H  
HETATM   58  H   UNL     1       9.582   1.664  13.285  1.00  0.00           H  
HETATM   59  H   UNL     1       8.928   5.337  11.620  1.00  0.00           H  
HETATM   60  H   UNL     1       7.546   4.285  11.958  1.00  0.00           H  
HETATM   61  H   UNL     1       7.993   4.296   9.527  1.00  0.00           H  
HETATM   62  H   UNL     1       9.700   3.887   9.794  1.00  0.00           H  
HETATM   63  H   UNL     1       4.382   5.907   7.157  1.00  0.00           H  
HETATM   64  H   UNL     1       2.453   7.160   6.276  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.457   5.851   5.068  1.00  0.00           H  
HETATM   66  H   UNL     1       0.555   7.312   4.966  1.00  0.00           H  
HETATM   67  H   UNL     1       0.445   6.229   3.580  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.480   2.508   4.280  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.899   2.917   4.502  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.952   2.603   2.748  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.082   1.292   3.076  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.983   1.598   4.830  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.184   3.003   4.842  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.227   2.200   3.253  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.605   5.127   3.890  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.388   4.145   2.641  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.741   4.831   1.132  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.012   5.799   2.424  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.358   2.984   1.550  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.254   4.237   2.168  1.00  0.00           H  
CONECT    1    2   44   45   46                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4   35                                       
CONECT    4    3    3    5   47                                       
CONECT    5    4    6    6   33                                       
CONECT    6    5    5    7                                            
CONECT    7    6    8    8   48                                       
CONECT    8    7    7    9                                            
CONECT    9    8   10   33   33                                       
CONECT   10    9   11   49                                            
CONECT   11   10   12   12   31                                       
CONECT   12   11   11   13   50                                       
CONECT   13   12   14   29   29                                       
CONECT   14   13   15   51                                            
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   18   22                                       
CONECT   18   17   17   19   52                                       
CONECT   19   18   20   20   53                                       
CONECT   20   19   19   21                                            
CONECT   21   20   22   22   23                                       
CONECT   22   17   21   21   54                                       
CONECT   23   21   24   28                                            
CONECT   24   23   25   55   56                                       
CONECT   25   24   26   57   58                                       
CONECT   26   25   27                                                 
CONECT   27   26   28   59   60                                       
CONECT   28   23   27   61   62                                       
CONECT   29   13   13   30   63                                       
CONECT   30   29   31   31   64                                       
CONECT   31   11   30   30   32                                       
CONECT   32   31   65   66   67                                       
CONECT   33    5    9    9   34                                       
CONECT   34   33   35   35   68                                       
CONECT   35    3   34   34   36                                       
CONECT   36   35   37                                                 
CONECT   37   36   38   69   70                                       
CONECT   38   37   39   71   72                                       
CONECT   39   38   40   43                                            
CONECT   40   39   41   73   74                                       
CONECT   41   40   42   75   76                                       
CONECT   42   41   43   77   78                                       
CONECT   43   39   42   79   80                                       
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    4                                                      
CONECT   48    7                                                      
CONECT   49   10                                                      
CONECT   50   12                                                      
CONECT   51   14                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   22                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   25                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   34                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   38                                                      
CONECT   73   40                                                      
CONECT   74   40                                                      
CONECT   75   41                                                      
CONECT   76   41                                                      
CONECT   77   42                                                      
CONECT   78   42                                                      
CONECT   79   43                                                      
CONECT   80   43                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
