COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.569  -1.350   0.196  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.400   1.273  -0.685  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.103   1.848  -0.710  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.066   3.030  -0.589  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.597   1.362   0.201  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.700   0.875   1.105  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.646  -0.651   1.201  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.192  -1.102   1.361  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.733  -1.793   0.077  1.00  0.00           C  
HETATM   10  C   UNL     1       9.366   1.872   1.945  1.00  0.00           C  
HETATM   11  N   UNL     1       8.557   0.816   1.322  1.00  0.00           N  
HETATM   12  C   UNL     1       8.775   0.772  -0.130  1.00  0.00           C  
HETATM   13  C   UNL     1       7.977  -0.389  -0.729  1.00  0.00           C  
HETATM   14  N   UNL     1       6.552  -0.213  -0.418  1.00  0.00           N  
HETATM   15  C   UNL     1       5.743  -1.269  -1.040  1.00  0.00           C  
HETATM   16  C   UNL     1       4.281  -0.924  -0.911  1.00  0.00           C  
HETATM   17  C   UNL     1       3.658  -0.184  -1.899  1.00  0.00           C  
HETATM   18  C   UNL     1       2.320   0.134  -1.786  1.00  0.00           C  
HETATM   19  C   UNL     1       1.596  -0.292  -0.673  1.00  0.00           C  
HETATM   20  C   UNL     1       2.230  -1.038   0.320  1.00  0.00           C  
HETATM   21  C   UNL     1       0.159   0.047  -0.545  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.753   1.190  -0.485  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.667   2.334  -0.510  1.00  0.00           C  
HETATM   24  N   UNL     1      -6.156   2.652   0.349  1.00  0.00           N  
HETATM   25  O   UNL     1      -6.112   0.631  -0.636  1.00  0.00           O  
HETATM   26  N   UNL     1      -4.558  -2.643   0.380  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.313  -2.025   0.185  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.223  -2.776   0.227  1.00  0.00           N  
HETATM   29  C   UNL     1      -1.026  -2.245   0.027  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.940  -0.882  -0.242  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.119  -0.108  -0.251  1.00  0.00           C  
HETATM   32  N   UNL     1      -3.280  -0.727  -0.051  1.00  0.00           N  
HETATM   33  C   UNL     1       6.334  -0.169   1.035  1.00  0.00           C  
HETATM   34  C   UNL     1       7.131   0.992   1.633  1.00  0.00           C  
HETATM   35  H   UNL     1       4.060  -1.932   0.962  1.00  0.00           H  
HETATM   36  H   UNL     1       0.141   2.179  -0.915  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.343   1.104   0.049  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.200   1.400  -1.699  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.534   3.899  -0.203  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.488   3.261  -1.567  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.572   1.306   2.098  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.664   1.179   0.698  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.226  -0.982   2.063  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.064  -1.087   0.294  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.561  -0.234   1.553  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.116  -1.798   2.197  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.540  -2.413  -0.312  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.460  -1.042  -0.664  1.00  0.00           H  
HETATM   49  H   UNL     1       9.237   1.838   3.027  1.00  0.00           H  
HETATM   50  H   UNL     1      10.417   1.717   1.699  1.00  0.00           H  
HETATM   51  H   UNL     1       9.045   2.844   1.571  1.00  0.00           H  
HETATM   52  H   UNL     1       8.442   1.709  -0.576  1.00  0.00           H  
HETATM   53  H   UNL     1       9.836   0.628  -0.335  1.00  0.00           H  
HETATM   54  H   UNL     1       8.115  -0.406  -1.810  1.00  0.00           H  
HETATM   55  H   UNL     1       8.328  -1.329  -0.303  1.00  0.00           H  
HETATM   56  H   UNL     1       6.004  -1.353  -2.095  1.00  0.00           H  
HETATM   57  H   UNL     1       5.938  -2.218  -0.541  1.00  0.00           H  
HETATM   58  H   UNL     1       4.219   0.146  -2.760  1.00  0.00           H  
HETATM   59  H   UNL     1       1.834   0.713  -2.558  1.00  0.00           H  
HETATM   60  H   UNL     1       1.673  -1.375   1.182  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.393   2.999  -1.329  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.597   2.875   0.433  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.522   3.264   1.007  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.642  -3.558   0.691  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.138  -2.858   0.059  1.00  0.00           H  
HETATM   66  H   UNL     1       5.273  -0.025   1.239  1.00  0.00           H  
HETATM   67  H   UNL     1       6.666  -1.107   1.481  1.00  0.00           H  
HETATM   68  H   UNL     1       6.994   1.009   2.714  1.00  0.00           H  
HETATM   69  H   UNL     1       6.780   1.932   1.207  1.00  0.00           H  
CONECT    1   16   20   20   35                                       
CONECT    2   21   21   22   36                                       
CONECT    3   23    4   37   38                                       
CONECT    4    3   24   39   40                                       
CONECT    5   25   25   24    6                                       
CONECT    6    5    7   41   42                                       
CONECT    7    8    6   43   44                                       
CONECT    8    9    7   45   46                                       
CONECT    9   26    8   47   48                                       
CONECT   10   11   49   50   51                                       
CONECT   11   10   34   12                                            
CONECT   12   11   13   52   53                                       
CONECT   13   12   14   54   55                                       
CONECT   14   33   13   15                                            
CONECT   15   14   16   56   57                                       
CONECT   16   15   17   17    1                                       
CONECT   17   16   16   18   58                                       
CONECT   18   17   19   19   59                                       
CONECT   19   18   18   20   21                                       
CONECT   20    1    1   19   60                                       
CONECT   21   19    2    2   30                                       
CONECT   22    2   31   23                                            
CONECT   23   22    3   61   62                                       
CONECT   24    4    5   63                                            
CONECT   25    5    5                                                 
CONECT   26   27    9   64                                            
CONECT   27   28   28   32   26                                       
CONECT   28   29   27   27                                            
CONECT   29   30   30   28   65                                       
CONECT   30   21   29   29   31                                       
CONECT   31   30   22   32   32                                       
CONECT   32   31   31   27                                            
CONECT   33   34   14   66   67                                       
CONECT   34   11   33   68   69                                       
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   20                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   26                                                      
CONECT   65   29                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
