COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.179   0.116   0.759  1.00  0.00           N  
HETATM    2  C   UNL     1       0.276  -0.919   0.067  1.00  0.00           C  
HETATM    3  N   UNL     1       1.551  -1.010  -0.289  1.00  0.00           N  
HETATM    4  C   UNL     1       0.617   1.115   1.109  1.00  0.00           C  
HETATM    5  C   UNL     1       1.950   1.073   0.746  1.00  0.00           C  
HETATM    6  C   UNL     1       2.404  -0.055   0.045  1.00  0.00           C  
HETATM    7  C   UNL     1       4.296   1.766   1.349  1.00  0.00           C  
HETATM    8  C   UNL     1       2.866   2.221   1.054  1.00  0.00           C  
HETATM    9  C   UNL     1       4.726   0.750   0.331  1.00  0.00           C  
HETATM   10  C   UNL     1       3.840  -0.115  -0.274  1.00  0.00           C  
HETATM   11  N   UNL     1       4.558  -0.896  -1.106  1.00  0.00           N  
HETATM   12  N   UNL     1       5.802  -0.554  -1.058  1.00  0.00           N  
HETATM   13  C   UNL     1       5.977   0.444  -0.204  1.00  0.00           C  
HETATM   14  C   UNL     1       7.257   1.108   0.119  1.00  0.00           C  
HETATM   15  N   UNL     1       8.395   0.706  -0.479  1.00  0.00           N  
HETATM   16  O   UNL     1       7.282   2.017   0.926  1.00  0.00           O  
HETATM   17  C   UNL     1       4.010  -1.971  -1.937  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.600  -1.930  -0.292  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.970  -1.793  -0.037  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.558  -0.537  -0.057  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.916  -0.404   0.196  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.685  -1.528   0.469  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.100  -2.780   0.490  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.746  -2.918   0.232  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.173  -4.152   0.247  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.028  -5.261   0.530  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.511   0.863   0.177  1.00  0.00           N  
HETATM   28  C   UNL     1      -5.948   0.774   0.469  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.544   2.183   0.517  1.00  0.00           C  
HETATM   30  N   UNL     1      -6.312   2.854  -0.770  1.00  0.00           N  
HETATM   31  C   UNL     1      -4.875   2.943  -1.062  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.279   1.534  -1.110  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.936   4.183  -0.790  1.00  0.00           C  
HETATM   34  H   UNL     1       0.230   1.951   1.672  1.00  0.00           H  
HETATM   35  H   UNL     1       4.965   2.625   1.309  1.00  0.00           H  
HETATM   36  H   UNL     1       4.337   1.321   2.344  1.00  0.00           H  
HETATM   37  H   UNL     1       2.882   2.899   0.200  1.00  0.00           H  
HETATM   38  H   UNL     1       2.481   2.757   1.921  1.00  0.00           H  
HETATM   39  H   UNL     1       8.374  -0.020  -1.123  1.00  0.00           H  
HETATM   40  H   UNL     1       9.235   1.141  -0.267  1.00  0.00           H  
HETATM   41  H   UNL     1       3.719  -1.567  -2.907  1.00  0.00           H  
HETATM   42  H   UNL     1       4.766  -2.743  -2.078  1.00  0.00           H  
HETATM   43  H   UNL     1       3.138  -2.401  -1.446  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.265  -2.733  -0.721  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.960   0.337  -0.269  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.742  -1.423   0.666  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.700  -3.652   0.703  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.446  -6.183   0.511  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.474  -5.134   1.516  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.816  -5.314  -0.221  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.443   0.196  -0.311  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.094   0.285   1.432  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.616   2.118   0.705  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.068   2.752   1.315  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.729   3.432  -2.025  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.379   3.520  -0.282  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.207   1.598  -1.298  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.755   0.964  -1.908  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.512   4.796   0.005  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.749   4.658  -1.753  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.011   4.083  -0.637  1.00  0.00           H  
CONECT    1    2    2    4                                            
CONECT    2    1    1    3   18                                       
CONECT    3    2    6    6                                            
CONECT    4    1    5    5   34                                       
CONECT    5    4    4    6    8                                       
CONECT    6    3    3    5   10                                       
CONECT    7    8    9   35   36                                       
CONECT    8    5    7   37   38                                       
CONECT    9    7   10   10   13                                       
CONECT   10    6    9    9   11                                       
CONECT   11   10   12   17                                            
CONECT   12   11   13   13                                            
CONECT   13    9   12   12   14                                       
CONECT   14   13   15   16   16                                       
CONECT   15   14   39   40                                            
CONECT   16   14   14                                                 
CONECT   17   11   41   42   43                                       
CONECT   18    2   19   44                                            
CONECT   19   18   20   24   24                                       
CONECT   20   19   21   21   45                                       
CONECT   21   20   20   22   27                                       
CONECT   22   21   23   23   46                                       
CONECT   23   22   22   24   47                                       
CONECT   24   19   19   23   25                                       
CONECT   25   24   26                                                 
CONECT   26   25   48   49   50                                       
CONECT   27   21   28   32                                            
CONECT   28   27   29   51   52                                       
CONECT   29   28   30   53   54                                       
CONECT   30   29   31   33                                            
CONECT   31   30   32   55   56                                       
CONECT   32   27   31   57   58                                       
CONECT   33   30   59   60   61                                       
CONECT   34    4                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   20                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
CONECT   57   32                                                      
CONECT   58   32                                                      
CONECT   59   33                                                      
CONECT   60   33                                                      
CONECT   61   33                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
