COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.212  -0.251  -0.148  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.810  -1.590  -0.072  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.460  -1.881  -0.034  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.589  -0.881  -0.082  1.00  0.00           N  
HETATM    5  N   UNL     1      -2.283   0.696  -0.201  1.00  0.00           N  
HETATM    6  C   UNL     1       5.534  -0.952   1.330  1.00  0.00           C  
HETATM    7  C   UNL     1       7.026  -1.163   1.597  1.00  0.00           C  
HETATM    8  C   UNL     1       7.744  -1.431   0.271  1.00  0.00           C  
HETATM    9  O   UNL     1       9.146  -1.572   0.508  1.00  0.00           O  
HETATM   10  C   UNL     1       7.502  -0.255  -0.678  1.00  0.00           C  
HETATM   11  C   UNL     1       5.996  -0.070  -0.880  1.00  0.00           C  
HETATM   12  N   UNL     1       5.355   0.184   0.417  1.00  0.00           N  
HETATM   13  C   UNL     1       3.998   0.488   0.255  1.00  0.00           C  
HETATM   14  C   UNL     1       3.616   1.535  -0.573  1.00  0.00           C  
HETATM   15  C   UNL     1       2.273   1.835  -0.733  1.00  0.00           C  
HETATM   16  O   UNL     1       1.897   2.860  -1.544  1.00  0.00           O  
HETATM   17  C   UNL     1       2.939   3.585  -2.200  1.00  0.00           C  
HETATM   18  C   UNL     1       3.035  -0.261   0.918  1.00  0.00           C  
HETATM   19  C   UNL     1       1.695   0.036   0.759  1.00  0.00           C  
HETATM   20  C   UNL     1       1.310   1.085  -0.063  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.051   1.387  -0.223  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.997   0.376  -0.167  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.778  -2.606  -0.055  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.724  -3.680   0.940  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.761  -2.567  -0.981  1.00  0.00           C  
HETATM   26  O   UNL     1      -5.653  -3.390  -0.962  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.740  -1.494  -2.036  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.187  -0.158  -1.450  1.00  0.00           C  
HETATM   29  N   UNL     1      -4.558   0.067  -0.146  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.772   1.447   0.311  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.143   1.658   1.704  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.099   2.579   2.483  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.274   2.896   1.535  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.281   1.717   0.530  1.00  0.00           C  
HETATM   35  H   UNL     1      -1.120  -2.904   0.035  1.00  0.00           H  
HETATM   36  H   UNL     1       5.116  -1.851   0.877  1.00  0.00           H  
HETATM   37  H   UNL     1       5.022  -0.747   2.270  1.00  0.00           H  
HETATM   38  H   UNL     1       7.442  -0.269   2.062  1.00  0.00           H  
HETATM   39  H   UNL     1       7.160  -2.016   2.262  1.00  0.00           H  
HETATM   40  H   UNL     1       7.356  -2.347  -0.175  1.00  0.00           H  
HETATM   41  H   UNL     1       9.665  -1.744  -0.290  1.00  0.00           H  
HETATM   42  H   UNL     1       7.925   0.653  -0.249  1.00  0.00           H  
HETATM   43  H   UNL     1       7.975  -0.459  -1.639  1.00  0.00           H  
HETATM   44  H   UNL     1       5.819   0.775  -1.544  1.00  0.00           H  
HETATM   45  H   UNL     1       5.575  -0.974  -1.322  1.00  0.00           H  
HETATM   46  H   UNL     1       4.365   2.115  -1.092  1.00  0.00           H  
HETATM   47  H   UNL     1       2.503   4.373  -2.814  1.00  0.00           H  
HETATM   48  H   UNL     1       3.598   4.029  -1.454  1.00  0.00           H  
HETATM   49  H   UNL     1       3.511   2.906  -2.832  1.00  0.00           H  
HETATM   50  H   UNL     1       3.334  -1.078   1.558  1.00  0.00           H  
HETATM   51  H   UNL     1       0.948  -0.548   1.275  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.330   2.304  -0.374  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.289  -3.384   1.824  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.156  -4.587   0.519  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.687  -3.866   1.218  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.728  -1.394  -2.428  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.412  -1.774  -2.848  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.904   0.646  -2.130  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.271  -0.162  -1.331  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.355   2.154  -0.406  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.045   0.702   2.219  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.166   2.131   1.606  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.465   2.070   3.374  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.586   3.500   2.762  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.213   2.930   2.089  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.103   3.839   1.016  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.761   2.009  -0.404  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.771   0.845   0.962  1.00  0.00           H  
CONECT    1    2    2    5   29                                       
CONECT    2    1    1    3   23                                       
CONECT    3    2    4    4   35                                       
CONECT    4    3    3   22                                            
CONECT    5    1   22   22                                            
CONECT    6    7   12   36   37                                       
CONECT    7    6    8   38   39                                       
CONECT    8    7    9   10   40                                       
CONECT    9    8   41                                                 
CONECT   10    8   11   42   43                                       
CONECT   11   10   12   44   45                                       
CONECT   12    6   11   13                                            
CONECT   13   12   14   14   18                                       
CONECT   14   13   13   15   46                                       
CONECT   15   14   16   20   20                                       
CONECT   16   15   17                                                 
CONECT   17   16   47   48   49                                       
CONECT   18   13   19   19   50                                       
CONECT   19   18   18   20   51                                       
CONECT   20   15   15   19   21                                       
CONECT   21   20   22   52                                            
CONECT   22    4    5    5   21                                       
CONECT   23    2   24   25                                            
CONECT   24   23   53   54   55                                       
CONECT   25   23   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   56   57                                       
CONECT   28   27   29   58   59                                       
CONECT   29    1   28   30                                            
CONECT   30   29   31   34   60                                       
CONECT   31   30   32   61   62                                       
CONECT   32   31   33   63   64                                       
CONECT   33   32   34   65   66                                       
CONECT   34   30   33   67   68                                       
CONECT   35    3                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   14                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   21                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   27                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
CONECT   60   30                                                      
CONECT   61   31                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
