COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.183  -1.821   0.836  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.578  -0.523   0.519  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.657   0.388   0.035  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.326   0.001  -0.135  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.935  -1.310   0.188  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.491   1.413  -1.410  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.804  -0.822  -0.865  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.514  -0.465  -1.245  1.00  0.00           C  
HETATM    9  C   UNL     1     -11.638   1.493   1.386  1.00  0.00           C  
HETATM   10  C   UNL     1     -10.209   1.113   1.094  1.00  0.00           C  
HETATM   11  O   UNL     1      -9.325   1.933   1.220  1.00  0.00           O  
HETATM   12  N   UNL     1      -9.914  -0.139   0.691  1.00  0.00           N  
HETATM   13  C   UNL     1      -6.871  -2.211   0.672  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.611  -1.388  -0.077  1.00  0.00           O  
HETATM   15  N   UNL     1      -5.214   0.641  -0.576  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.205  -0.191  -0.538  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.820   0.137  -0.942  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.184   1.681  -1.777  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.252   0.758  -1.688  1.00  0.00           N  
HETATM   20  C   UNL     1       0.579  -1.462  -1.154  1.00  0.00           C  
HETATM   21  O   UNL     1       0.317  -2.647  -1.090  1.00  0.00           O  
HETATM   22  N   UNL     1       1.863  -1.054  -1.141  1.00  0.00           N  
HETATM   23  C   UNL     1       2.203   0.374  -1.232  1.00  0.00           C  
HETATM   24  C   UNL     1       3.164   0.720  -0.090  1.00  0.00           C  
HETATM   25  C   UNL     1       2.963  -2.025  -1.028  1.00  0.00           C  
HETATM   26  C   UNL     1       3.892  -1.580   0.105  1.00  0.00           C  
HETATM   27  N   UNL     1       4.313  -0.196  -0.126  1.00  0.00           N  
HETATM   28  C   UNL     1       5.338   0.212   0.844  1.00  0.00           C  
HETATM   29  C   UNL     1       6.540  -0.687   0.712  1.00  0.00           C  
HETATM   30  N   UNL     1       7.209  -1.244   1.691  1.00  0.00           N  
HETATM   31  N   UNL     1       7.123  -1.071  -0.424  1.00  0.00           N  
HETATM   32  N   UNL     1       8.115  -1.834  -0.108  1.00  0.00           N  
HETATM   33  N   UNL     1       8.162  -1.941   1.174  1.00  0.00           N  
HETATM   34  C   UNL     1       9.145  -2.726   1.926  1.00  0.00           C  
HETATM   35  C   UNL     1       5.745   1.638   0.574  1.00  0.00           C  
HETATM   36  C   UNL     1       5.972   2.503   1.629  1.00  0.00           C  
HETATM   37  C   UNL     1       6.346   3.811   1.382  1.00  0.00           C  
HETATM   38  C   UNL     1       6.491   4.254   0.081  1.00  0.00           C  
HETATM   39  C   UNL     1       6.264   3.389  -0.974  1.00  0.00           C  
HETATM   40  C   UNL     1       5.896   2.080  -0.727  1.00  0.00           C  
HETATM   41  H   UNL     1      -8.908  -2.524   1.217  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.966   1.393  -0.211  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.249   2.179  -1.487  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.015  -1.818  -0.505  1.00  0.00           H  
HETATM   45  H   UNL     1     -12.107   1.870   0.477  1.00  0.00           H  
HETATM   46  H   UNL     1     -12.182   0.617   1.740  1.00  0.00           H  
HETATM   47  H   UNL     1     -11.658   2.267   2.153  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.627  -0.775   0.521  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.572  -3.219   0.920  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.926   2.664  -2.144  1.00  0.00           H  
HETATM   51  H   UNL     1       2.685   0.575  -2.189  1.00  0.00           H  
HETATM   52  H   UNL     1       1.297   0.972  -1.142  1.00  0.00           H  
HETATM   53  H   UNL     1       3.513   1.746  -0.206  1.00  0.00           H  
HETATM   54  H   UNL     1       2.647   0.617   0.864  1.00  0.00           H  
HETATM   55  H   UNL     1       2.558  -3.012  -0.804  1.00  0.00           H  
HETATM   56  H   UNL     1       3.518  -2.059  -1.965  1.00  0.00           H  
HETATM   57  H   UNL     1       3.363  -1.646   1.056  1.00  0.00           H  
HETATM   58  H   UNL     1       4.770  -2.225   0.131  1.00  0.00           H  
HETATM   59  H   UNL     1       4.935   0.134   1.853  1.00  0.00           H  
HETATM   60  H   UNL     1       8.768  -3.738   2.070  1.00  0.00           H  
HETATM   61  H   UNL     1      10.082  -2.763   1.370  1.00  0.00           H  
HETATM   62  H   UNL     1       9.316  -2.260   2.896  1.00  0.00           H  
HETATM   63  H   UNL     1       5.858   2.157   2.645  1.00  0.00           H  
HETATM   64  H   UNL     1       6.523   4.486   2.206  1.00  0.00           H  
HETATM   65  H   UNL     1       6.783   5.276  -0.112  1.00  0.00           H  
HETATM   66  H   UNL     1       6.377   3.736  -1.990  1.00  0.00           H  
HETATM   67  H   UNL     1       5.722   1.403  -1.550  1.00  0.00           H  
CONECT    1    2   13   13   41                                       
CONECT    2   12    1    3    3                                       
CONECT    3    2    2    4   42                                       
CONECT    4    3    5    5   15                                       
CONECT    5   13    4    4   14                                       
CONECT    6   17   18   18   43                                       
CONECT    7   17   17    8   44                                       
CONECT    8    7   19   19   20                                       
CONECT    9   10   45   46   47                                       
CONECT   10    9   12   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   10    2   48                                            
CONECT   13    1    1    5   49                                       
CONECT   14    5   16                                                 
CONECT   15    4   16   16                                            
CONECT   16   14   15   15   17                                       
CONECT   17   16    6    7    7                                       
CONECT   18    6    6   19   50                                       
CONECT   19   18    8    8                                            
CONECT   20    8   22   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   25   20   23                                            
CONECT   23   22   24   51   52                                       
CONECT   24   27   23   53   54                                       
CONECT   25   22   26   55   56                                       
CONECT   26   25   27   57   58                                       
CONECT   27   26   24   28                                            
CONECT   28   27   29   35   59                                       
CONECT   29   30   30   31   28                                       
CONECT   30   33   29   29                                            
CONECT   31   32   32   29                                            
CONECT   32   33   31   31                                            
CONECT   33   34   30   32                                            
CONECT   34   33   60   61   62                                       
CONECT   35   28   40   40   36                                       
CONECT   36   35   37   37   63                                       
CONECT   37   36   36   38   64                                       
CONECT   38   39   39   37   65                                       
CONECT   39   40   38   38   66                                       
CONECT   40   35   35   39   67                                       
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   18                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   28                                                      
CONECT   60   34                                                      
CONECT   61   34                                                      
CONECT   62   34                                                      
CONECT   63   36                                                      
CONECT   64   37                                                      
CONECT   65   38                                                      
CONECT   66   39                                                      
CONECT   67   40                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
