COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.177  -1.153  -0.114  1.00  0.00           C  
HETATM    2  C   UNL     1       3.677  -0.954  -0.212  1.00  0.00           C  
HETATM    3  C   UNL     1       4.769   1.122  -1.067  1.00  0.00           C  
HETATM    4  C   UNL     1       5.342   0.390   1.074  1.00  0.00           C  
HETATM    5  C   UNL     1       4.102  -0.511   1.191  1.00  0.00           C  
HETATM    6  C   UNL     1       5.982   2.635   0.398  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.204  -1.240   0.112  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.992  -2.168   0.188  1.00  0.00           O  
HETATM    9  N   UNL     1      -5.678   0.017   0.067  1.00  0.00           N  
HETATM   10  C   UNL     1      -7.125   0.243   0.112  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.828  -1.514   0.078  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.926  -0.491  -0.007  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.436   0.886  -0.063  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.566   1.975  -0.152  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.078   3.252  -0.202  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.450   3.461  -0.166  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.321   2.396  -0.078  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.825   1.098  -0.020  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.597  -0.740  -0.040  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.192  -2.109   0.019  1.00  0.00           C  
HETATM   21  C   UNL     1       0.312  -2.191  -0.029  1.00  0.00           C  
HETATM   22  N   UNL     1       1.056  -3.303   0.005  1.00  0.00           N  
HETATM   23  N   UNL     1       2.298  -2.975  -0.056  1.00  0.00           N  
HETATM   24  N   UNL     1       2.417  -1.696  -0.128  1.00  0.00           N  
HETATM   25  C   UNL     1       6.349  -0.312   0.134  1.00  0.00           C  
HETATM   26  C   UNL     1       5.970   0.172  -1.282  1.00  0.00           C  
HETATM   27  N   UNL     1       4.933   1.609   0.328  1.00  0.00           N1+
HETATM   28  C   UNL     1       3.661   2.130   0.846  1.00  0.00           C  
HETATM   29  C   UNL     1       3.487   0.274  -1.107  1.00  0.00           C  
HETATM   30  H   UNL     1       0.928  -0.104  -0.165  1.00  0.00           H  
HETATM   31  H   UNL     1       4.448  -1.596  -0.638  1.00  0.00           H  
HETATM   32  H   UNL     1       4.755   1.938  -1.790  1.00  0.00           H  
HETATM   33  H   UNL     1       5.777   0.617   2.047  1.00  0.00           H  
HETATM   34  H   UNL     1       3.290   0.045   1.660  1.00  0.00           H  
HETATM   35  H   UNL     1       4.342  -1.387   1.793  1.00  0.00           H  
HETATM   36  H   UNL     1       5.711   3.476  -0.240  1.00  0.00           H  
HETATM   37  H   UNL     1       6.086   2.978   1.427  1.00  0.00           H  
HETATM   38  H   UNL     1       6.927   2.211   0.059  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.640  -0.715   0.180  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.371   0.850   0.982  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.440   0.761  -0.794  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.481  -2.536   0.120  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.498   1.816  -0.180  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.408   4.096  -0.271  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.838   4.468  -0.206  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.386   2.570  -0.050  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.550  -2.555   0.947  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.612  -2.650  -0.829  1.00  0.00           H  
HETATM   49  H   UNL     1       7.368  -0.011   0.377  1.00  0.00           H  
HETATM   50  H   UNL     1       6.244  -1.394   0.205  1.00  0.00           H  
HETATM   51  H   UNL     1       5.680  -0.673  -1.906  1.00  0.00           H  
HETATM   52  H   UNL     1       6.803   0.710  -1.734  1.00  0.00           H  
HETATM   53  H   UNL     1       2.898   1.354   0.785  1.00  0.00           H  
HETATM   54  H   UNL     1       3.789   2.433   1.886  1.00  0.00           H  
HETATM   55  H   UNL     1       3.352   2.991   0.253  1.00  0.00           H  
HETATM   56  H   UNL     1       3.293  -0.046  -2.130  1.00  0.00           H  
HETATM   57  H   UNL     1       2.648   0.866  -0.741  1.00  0.00           H  
CONECT    1   21   21   24   30                                       
CONECT    2    5   24   29   31                                       
CONECT    3   26   27   29   32                                       
CONECT    4    5   25   27   33                                       
CONECT    5    2    4   34   35                                       
CONECT    6   27   36   37   38                                       
CONECT    7    8    8    9   11                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   18                                            
CONECT   10    9   39   40   41                                       
CONECT   11    7   12   12   42                                       
CONECT   12   11   11   13   19                                       
CONECT   13   12   14   14   18                                       
CONECT   14   13   13   15   43                                       
CONECT   15   14   16   16   44                                       
CONECT   16   15   15   17   45                                       
CONECT   17   16   18   18   46                                       
CONECT   18    9   13   17   17                                       
CONECT   19   12   20                                                 
CONECT   20   19   21   47   48                                       
CONECT   21    1    1   20   22                                       
CONECT   22   21   23   23                                            
CONECT   23   22   22   24                                            
CONECT   24    1    2   23                                            
CONECT   25    4   26   49   50                                       
CONECT   26    3   25   51   52                                       
CONECT   27    3    4    6   28                                       
CONECT   28   27   53   54   55                                       
CONECT   29    2    3   56   57                                       
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
