COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.224   1.411  -1.700  1.00  0.00           O  
HETATM    2  C   UNL     1       3.937   1.184  -0.542  1.00  0.00           C  
HETATM    3  O   UNL     1       4.312   2.042   0.425  1.00  0.00           O  
HETATM    4  C   UNL     1       5.058   3.217   0.011  1.00  0.00           C  
HETATM    5  C   UNL     1       4.766   4.371   0.972  1.00  0.00           C  
HETATM    6  C   UNL     1       6.555   2.904   0.030  1.00  0.00           C  
HETATM    7  N   UNL     1       3.237   0.076  -0.226  1.00  0.00           N  
HETATM    8  C   UNL     1       3.789  -1.153   0.088  1.00  0.00           C  
HETATM    9  C   UNL     1       5.238  -1.452   0.129  1.00  0.00           C  
HETATM   10  C   UNL     1       6.284  -0.546  -0.142  1.00  0.00           C  
HETATM   11  N   UNL     1       7.417  -1.182  -0.002  1.00  0.00           N  
HETATM   12  N   UNL     1       7.143  -2.506   0.361  1.00  0.00           N  
HETATM   13  C   UNL     1       8.140  -3.550   0.614  1.00  0.00           C  
HETATM   14  C   UNL     1       5.806  -2.655   0.442  1.00  0.00           C  
HETATM   15  C   UNL     1       2.801  -2.039   0.353  1.00  0.00           C  
HETATM   16  C   UNL     1       1.531  -1.328   0.197  1.00  0.00           C  
HETATM   17  C   UNL     1       1.862  -0.003  -0.161  1.00  0.00           C  
HETATM   18  C   UNL     1       0.827   0.899  -0.368  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.482   0.465  -0.211  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.756  -0.788   0.131  1.00  0.00           N  
HETATM   21  C   UNL     1       0.191  -1.683   0.329  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.527   1.362  -0.415  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.850   0.914  -0.372  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.852   1.755   0.098  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.158   1.316   0.141  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.473   0.025  -0.287  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.465  -0.817  -0.758  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.162  -0.370  -0.804  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.873  -0.449  -0.242  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.404  -1.490  -0.939  1.00  0.00           C  
HETATM   31  N   UNL     1      -8.698  -1.587  -0.613  1.00  0.00           N  
HETATM   32  C   UNL     1      -9.001  -0.658   0.254  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.362  -0.440   0.863  1.00  0.00           C  
HETATM   34  N   UNL     1      -7.895   0.072   0.520  1.00  0.00           N  
HETATM   35  C   UNL     1      -7.802   1.206   1.442  1.00  0.00           C  
HETATM   36  H   UNL     1       4.759   3.500  -0.999  1.00  0.00           H  
HETATM   37  H   UNL     1       5.065   4.088   1.981  1.00  0.00           H  
HETATM   38  H   UNL     1       5.326   5.253   0.661  1.00  0.00           H  
HETATM   39  H   UNL     1       3.699   4.594   0.958  1.00  0.00           H  
HETATM   40  H   UNL     1       6.854   2.621   1.039  1.00  0.00           H  
HETATM   41  H   UNL     1       6.763   2.081  -0.655  1.00  0.00           H  
HETATM   42  H   UNL     1       7.115   3.786  -0.281  1.00  0.00           H  
HETATM   43  H   UNL     1       2.926  -3.076   0.627  1.00  0.00           H  
HETATM   44  H   UNL     1       6.169   0.492  -0.417  1.00  0.00           H  
HETATM   45  H   UNL     1       5.279  -3.560   0.704  1.00  0.00           H  
HETATM   46  H   UNL     1       8.414  -3.543   1.669  1.00  0.00           H  
HETATM   47  H   UNL     1       7.721  -4.523   0.354  1.00  0.00           H  
HETATM   48  H   UNL     1       9.026  -3.362   0.007  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.073  -2.692   0.608  1.00  0.00           H  
HETATM   50  H   UNL     1       1.037   1.921  -0.646  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.337   2.298  -0.586  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.608   2.753   0.429  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.382  -1.019  -1.173  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.936   1.970   0.506  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.706  -1.816  -1.090  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.874  -2.125  -1.633  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.448  -1.026   1.778  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.491   0.617   1.095  1.00  0.00           H  
HETATM   59  H   UNL     1     -11.130  -0.754   0.157  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.918   2.137   0.887  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.590   1.130   2.192  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.830   1.195   1.934  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    7                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    6   36                                       
CONECT    5    4   37   38   39                                       
CONECT    6    4   40   41   42                                       
CONECT    7    2    8   17                                            
CONECT    8    7    9   15   15                                       
CONECT    9    8   10   14   14                                       
CONECT   10    9   11   11   44                                       
CONECT   11   10   10   12                                            
CONECT   12   11   13   14                                            
CONECT   13   12   46   47   48                                       
CONECT   14    9    9   12   45                                       
CONECT   15    8    8   16   43                                       
CONECT   16   15   17   21   21                                       
CONECT   17    7   16   18   18                                       
CONECT   18   17   17   19   50                                       
CONECT   19   18   20   20   22                                       
CONECT   20   19   19   21                                            
CONECT   21   16   16   20   49                                       
CONECT   22   19   23   51                                            
CONECT   23   22   24   28   28                                       
CONECT   24   23   25   25   52                                       
CONECT   25   24   24   26   54                                       
CONECT   26   25   27   27   29                                       
CONECT   27   26   26   28   55                                       
CONECT   28   23   23   27   53                                       
CONECT   29   26   30   30   34                                       
CONECT   30   29   29   31   56                                       
CONECT   31   30   32   32                                            
CONECT   32   31   31   33   34                                       
CONECT   33   32   57   58   59                                       
CONECT   34   29   32   35                                            
CONECT   35   34   60   61   62                                       
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43   15                                                      
CONECT   44   10                                                      
CONECT   45   14                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   21                                                      
CONECT   50   18                                                      
CONECT   51   22                                                      
CONECT   52   24                                                      
CONECT   53   28                                                      
CONECT   54   25                                                      
CONECT   55   27                                                      
CONECT   56   30                                                      
CONECT   57   33                                                      
CONECT   58   33                                                      
CONECT   59   33                                                      
CONECT   60   35                                                      
CONECT   61   35                                                      
CONECT   62   35                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
