COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.560   0.054  -0.356  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.514   1.183   0.125  1.00  0.00           C  
HETATM    3  N   UNL     1      -6.235   2.253  -0.349  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.632   1.517   1.292  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.265   2.022   0.828  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.576   0.288   2.149  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.498  -0.507   2.200  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.262  -0.279   1.388  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.389   0.876   0.459  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.616   0.912  -0.791  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.806  -0.244  -1.075  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.664   2.101  -0.746  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.276   3.314  -1.145  1.00  0.00           O  
HETATM   14  C   UNL     1       0.423   1.674  -1.712  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.027   1.866  -3.054  1.00  0.00           O  
HETATM   16  C   UNL     1       0.524   0.180  -1.439  1.00  0.00           C  
HETATM   17  C   UNL     1       1.464  -0.159  -0.290  1.00  0.00           C  
HETATM   18  O   UNL     1       1.476  -1.565  -0.115  1.00  0.00           O  
HETATM   19  P   UNL     1       2.405  -2.190   1.054  1.00  0.00           P  
HETATM   20  O   UNL     1       2.370  -3.684   1.184  1.00  0.00           O  
HETATM   21  O   UNL     1       3.868  -1.563   0.765  1.00  0.00           O  
HETATM   22  O   UNL     1       1.920  -1.388   2.371  1.00  0.00           O  
HETATM   23  P   UNL     1       2.495  -1.383   3.882  1.00  0.00           P  
HETATM   24  O   UNL     1       3.972  -0.744   3.714  1.00  0.00           O  
HETATM   25  O   UNL     1       2.474  -2.726   4.553  1.00  0.00           O  
HETATM   26  O   UNL     1       1.642  -0.235   4.638  1.00  0.00           O  
HETATM   27  C   UNL     1       1.586   1.076   4.100  1.00  0.00           C  
HETATM   28  C   UNL     1       0.725   1.943   5.001  1.00  0.00           C  
HETATM   29  C   UNL     1       0.605   3.380   4.523  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.361   3.522   3.504  1.00  0.00           O  
HETATM   31  C   UNL     1       0.248   4.116   5.801  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.154   4.057   6.057  1.00  0.00           O  
HETATM   33  C   UNL     1       0.990   3.316   6.872  1.00  0.00           C  
HETATM   34  O   UNL     1       1.320   2.029   6.307  1.00  0.00           O  
HETATM   35  N   UNL     1       2.212   3.966   7.349  1.00  0.00           N  
HETATM   36  C   UNL     1       2.336   4.786   8.436  1.00  0.00           C  
HETATM   37  N   UNL     1       1.370   5.165   9.287  1.00  0.00           N  
HETATM   38  C   UNL     1       1.874   5.981  10.238  1.00  0.00           C  
HETATM   39  N   UNL     1       3.148   6.414  10.400  1.00  0.00           N  
HETATM   40  C   UNL     1       4.070   5.990   9.503  1.00  0.00           C  
HETATM   41  N   UNL     1       5.409   6.404   9.616  1.00  0.00           N  
HETATM   42  C   UNL     1       3.674   5.144   8.473  1.00  0.00           C  
HETATM   43  N   UNL     1       4.361   4.562   7.437  1.00  0.00           N  
HETATM   44  C   UNL     1       3.456   3.863   6.783  1.00  0.00           C  
HETATM   45  H   UNL     1      -6.855   2.111  -1.140  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.172   3.180   0.060  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.347   2.682  -0.043  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.749   2.558   1.631  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.407  -0.074   2.038  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.047  -1.164   0.781  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.133   2.321   1.842  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.444   0.045   2.756  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.514  -1.378   2.850  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.353   1.015  -1.594  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.236   2.239   0.255  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.139   3.402  -2.104  1.00  0.00           H  
HETATM   57  H   UNL     1       1.361   2.222  -1.593  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.387   1.015  -3.346  1.00  0.00           H  
HETATM   59  H   UNL     1       0.821  -0.382  -2.330  1.00  0.00           H  
HETATM   60  H   UNL     1       1.117   0.314   0.630  1.00  0.00           H  
HETATM   61  H   UNL     1       2.475   0.182  -0.518  1.00  0.00           H  
HETATM   62  H   UNL     1       4.420  -1.953   0.054  1.00  0.00           H  
HETATM   63  H   UNL     1       4.584  -0.759   4.480  1.00  0.00           H  
HETATM   64  H   UNL     1       2.602   1.475   4.040  1.00  0.00           H  
HETATM   65  H   UNL     1       1.159   1.026   3.094  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.261   1.474   5.102  1.00  0.00           H  
HETATM   67  H   UNL     1       1.572   3.738   4.151  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.102   4.300   2.987  1.00  0.00           H  
HETATM   69  H   UNL     1       0.521   5.175   5.767  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.347   3.166   6.400  1.00  0.00           H  
HETATM   71  H   UNL     1       0.384   3.152   7.769  1.00  0.00           H  
HETATM   72  H   UNL     1       1.162   6.339  10.975  1.00  0.00           H  
HETATM   73  H   UNL     1       5.729   7.189   9.081  1.00  0.00           H  
HETATM   74  H   UNL     1       6.050   5.855  10.157  1.00  0.00           H  
HETATM   75  H   UNL     1       3.640   3.266   5.899  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   45   46                                            
CONECT    4    2    6    5   51                                       
CONECT    5    4    9   47   48                                       
CONECT    6    4    7    7   52                                       
CONECT    7    6    6    8   53                                       
CONECT    8    7    9   49   50                                       
CONECT    9    5    8   10                                            
CONECT   10    9   11   12   54                                       
CONECT   11   10   16                                                 
CONECT   12   10   14   13   55                                       
CONECT   13   12   56                                                 
CONECT   14   12   16   15   57                                       
CONECT   15   14   58                                                 
CONECT   16   11   14   17   59                                       
CONECT   17   16   18   60   61                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   20   21                                       
CONECT   19   22                                                      
CONECT   20   19   19                                                 
CONECT   21   19   62                                                 
CONECT   22   19   23                                                 
CONECT   23   22   25   25   26                                       
CONECT   23   24                                                      
CONECT   24   23   63                                                 
CONECT   25   23   23                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28   64   65                                       
CONECT   28   27   34   29   66                                       
CONECT   29   28   30   31   67                                       
CONECT   30   29   68                                                 
CONECT   31   29   33   32   69                                       
CONECT   32   31   70                                                 
CONECT   33   31   34   35   71                                       
CONECT   34   28   33                                                 
CONECT   35   33   36   44                                            
CONECT   36   35   37   42   42                                       
CONECT   37   36   38   38                                            
CONECT   38   37   37   39   72                                       
CONECT   39   38   40   40                                            
CONECT   40   39   39   42   41                                       
CONECT   41   40   73   74                                            
CONECT   42   36   36   40   43                                       
CONECT   43   42   44   44                                            
CONECT   44   35   43   43   75                                       
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    4                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54   10                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   21                                                      
CONECT   63   24                                                      
CONECT   64   27                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   38                                                      
CONECT   73   41                                                      
CONECT   74   41                                                      
CONECT   75   44                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
