COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.989  -1.434   0.433  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.024  -0.502   0.271  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.813   0.647  -0.479  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.833   1.566  -0.640  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.265  -0.731   0.855  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.288   0.197   0.691  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.066   1.346  -0.056  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.477  -1.859   1.586  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.196  -1.789   2.986  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.599   2.813  -1.454  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.164   2.814  -1.983  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.577   2.845  -2.630  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.819   4.045  -0.574  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.705  -1.044   0.306  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.440   0.133   0.154  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.716  -1.958   0.349  1.00  0.00           N  
HETATM   17  C   UNL     1       0.605  -1.567   0.129  1.00  0.00           C  
HETATM   18  C   UNL     1       1.498  -2.433  -0.538  1.00  0.00           C  
HETATM   19  C   UNL     1       2.836  -2.023  -0.754  1.00  0.00           C  
HETATM   20  C   UNL     1       3.255  -0.750  -0.298  1.00  0.00           C  
HETATM   21  C   UNL     1       1.084  -3.696  -0.990  1.00  0.00           C  
HETATM   22  C   UNL     1       1.971  -4.508  -1.629  1.00  0.00           C  
HETATM   23  C   UNL     1       3.287  -4.103  -1.842  1.00  0.00           C  
HETATM   24  C   UNL     1       3.722  -2.885  -1.416  1.00  0.00           C  
HETATM   25  C   UNL     1       2.353   0.074   0.352  1.00  0.00           C  
HETATM   26  C   UNL     1       1.041  -0.330   0.557  1.00  0.00           C  
HETATM   27  C   UNL     1       4.650  -0.304  -0.514  1.00  0.00           C  
HETATM   28  C   UNL     1       4.917   0.950  -1.073  1.00  0.00           C  
HETATM   29  C   UNL     1       6.239   1.320  -1.254  1.00  0.00           C  
HETATM   30  C   UNL     1       7.243   0.446  -0.882  1.00  0.00           C  
HETATM   31  N   UNL     1       6.962  -0.731  -0.357  1.00  0.00           N  
HETATM   32  C   UNL     1       5.721  -1.125  -0.159  1.00  0.00           C  
HETATM   33  N   UNL     1      -7.539  -0.028   1.277  1.00  0.00           N  
HETATM   34  S   UNL     1      -8.918   0.450   0.494  1.00  0.00           S  
HETATM   35  O   UNL     1      -9.972  -0.022   1.321  1.00  0.00           O  
HETATM   36  O   UNL     1      -8.729   1.841   0.271  1.00  0.00           O  
HETATM   37  C   UNL     1      -8.885  -0.457  -1.076  1.00  0.00           C  
HETATM   38  C   UNL     1       8.683   0.845  -1.078  1.00  0.00           C  
HETATM   39  N   UNL     1       9.204   1.427   0.166  1.00  0.00           N  
HETATM   40  C   UNL     1      10.522   2.042  -0.052  1.00  0.00           C  
HETATM   41  C   UNL     1       9.270   0.418   1.233  1.00  0.00           C  
HETATM   42  C   UNL     1      11.000   2.687   1.252  1.00  0.00           C  
HETATM   43  C   UNL     1       9.761   1.079   2.524  1.00  0.00           C  
HETATM   44  O   UNL     1      11.028   1.698   2.285  1.00  0.00           O  
HETATM   45  H   UNL     1      -3.197  -2.358   0.640  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.851   0.824  -0.936  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.860   2.067  -0.184  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.145  -1.538   3.132  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.820  -1.021   3.444  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.407  -2.753   3.448  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.007   1.936  -2.610  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.995   3.716  -2.572  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.467   2.792  -1.145  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.600   2.844  -2.253  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.408   3.746  -3.219  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.420   1.967  -3.257  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.123   4.023   0.264  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.650   4.947  -1.163  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.842   4.044  -0.197  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.922  -2.888   0.532  1.00  0.00           H  
HETATM   61  H   UNL     1       0.066  -4.022  -0.832  1.00  0.00           H  
HETATM   62  H   UNL     1       1.649  -5.478  -1.977  1.00  0.00           H  
HETATM   63  H   UNL     1       3.971  -4.766  -2.350  1.00  0.00           H  
HETATM   64  H   UNL     1       4.745  -2.584  -1.588  1.00  0.00           H  
HETATM   65  H   UNL     1       2.673   1.045   0.701  1.00  0.00           H  
HETATM   66  H   UNL     1       0.353   0.331   1.063  1.00  0.00           H  
HETATM   67  H   UNL     1       4.113   1.613  -1.355  1.00  0.00           H  
HETATM   68  H   UNL     1       6.482   2.281  -1.683  1.00  0.00           H  
HETATM   69  H   UNL     1       5.530  -2.095   0.277  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.599  -0.464   2.141  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.882  -1.529  -0.877  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.767  -0.200  -1.663  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.988  -0.188  -1.633  1.00  0.00           H  
HETATM   74  H   UNL     1       9.271  -0.035  -1.342  1.00  0.00           H  
HETATM   75  H   UNL     1       8.750   1.580  -1.880  1.00  0.00           H  
HETATM   76  H   UNL     1      11.234   1.277  -0.362  1.00  0.00           H  
HETATM   77  H   UNL     1      10.444   2.803  -0.827  1.00  0.00           H  
HETATM   78  H   UNL     1       8.279  -0.006   1.395  1.00  0.00           H  
HETATM   79  H   UNL     1       9.962  -0.373   0.943  1.00  0.00           H  
HETATM   80  H   UNL     1      12.001   3.094   1.111  1.00  0.00           H  
HETATM   81  H   UNL     1      10.316   3.488   1.534  1.00  0.00           H  
HETATM   82  H   UNL     1       9.041   1.833   2.842  1.00  0.00           H  
HETATM   83  H   UNL     1       9.866   0.323   3.302  1.00  0.00           H  
CONECT    1    2   14   45                                            
CONECT    2    1    3    3    5                                       
CONECT    3    2    2    4   46                                       
CONECT    4    3    7    7   10                                       
CONECT    5    2    6    6    8                                       
CONECT    6    5    5    7   33                                       
CONECT    7    4    4    6   47                                       
CONECT    8    5    9                                                 
CONECT    9    8   48   49   50                                       
CONECT   10    4   11   12   13                                       
CONECT   11   10   51   52   53                                       
CONECT   12   10   54   55   56                                       
CONECT   13   10   57   58   59                                       
CONECT   14    1   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   60                                            
CONECT   17   16   18   18   26                                       
CONECT   18   17   17   19   21                                       
CONECT   19   18   20   20   24                                       
CONECT   20   19   19   25   27                                       
CONECT   21   18   22   22   61                                       
CONECT   22   21   21   23   62                                       
CONECT   23   22   24   24   63                                       
CONECT   24   19   23   23   64                                       
CONECT   25   20   26   26   65                                       
CONECT   26   17   25   25   66                                       
CONECT   27   20   28   28   32                                       
CONECT   28   27   27   29   67                                       
CONECT   29   28   30   30   68                                       
CONECT   30   29   29   31   38                                       
CONECT   31   30   32   32                                            
CONECT   32   27   31   31   69                                       
CONECT   33    6   34   70                                            
CONECT   34   33   35   35   36                                       
CONECT   34   36   37                                                 
CONECT   35   34   34                                                 
CONECT   36   34   34                                                 
CONECT   37   34   71   72   73                                       
CONECT   38   30   39   74   75                                       
CONECT   39   38   40   41                                            
CONECT   40   39   42   76   77                                       
CONECT   41   39   43   78   79                                       
CONECT   42   40   44   80   81                                       
CONECT   43   41   44   82   83                                       
CONECT   44   42   43                                                 
CONECT   45    1                                                      
CONECT   46    3                                                      
CONECT   47    7                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   16                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   37                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   38                                                      
CONECT   76   40                                                      
CONECT   77   40                                                      
CONECT   78   41                                                      
CONECT   79   41                                                      
CONECT   80   42                                                      
CONECT   81   42                                                      
CONECT   82   43                                                      
CONECT   83   43                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
