COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.404   3.669  -1.844  1.00  0.00           C  
HETATM    2  O   UNL     1       3.066   2.464  -1.155  1.00  0.00           O  
HETATM    3  C   UNL     1       4.010   1.939  -0.330  1.00  0.00           C  
HETATM    4  C   UNL     1       5.234   2.570  -0.185  1.00  0.00           C  
HETATM    5  C   UNL     1       6.194   2.035   0.654  1.00  0.00           C  
HETATM    6  C   UNL     1       5.939   0.870   1.355  1.00  0.00           C  
HETATM    7  C   UNL     1       4.724   0.230   1.222  1.00  0.00           C  
HETATM    8  C   UNL     1       3.746   0.763   0.381  1.00  0.00           C  
HETATM    9  C   UNL     1       2.442   0.083   0.235  1.00  0.00           C  
HETATM   10  C   UNL     1       1.215   0.661   0.290  1.00  0.00           C  
HETATM   11  N   UNL     1       2.235  -1.265   0.009  1.00  0.00           N  
HETATM   12  C   UNL     1       3.262  -2.299  -0.123  1.00  0.00           C  
HETATM   13  C   UNL     1       2.724  -3.431  -1.002  1.00  0.00           C  
HETATM   14  C   UNL     1       1.967  -4.430  -0.128  1.00  0.00           C  
HETATM   15  C   UNL     1       0.802  -3.727   0.572  1.00  0.00           C  
HETATM   16  N   UNL     1       0.262  -2.672  -0.296  1.00  0.00           N  
HETATM   17  C   UNL     1       0.892  -1.464  -0.067  1.00  0.00           C  
HETATM   18  N   UNL     1       0.289  -0.299   0.108  1.00  0.00           N1+
HETATM   19  C   UNL     1      -1.075  -0.100   0.100  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.681   0.612   1.135  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.043   0.812   1.128  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.817   0.302   0.086  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.211  -0.410  -0.949  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.848  -0.604  -0.945  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.285   0.516   0.078  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.061   0.007  -0.962  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.426   0.209  -0.963  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.024   0.915   0.065  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.260   1.422   1.100  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.894   1.222   1.114  1.00  0.00           C  
HETATM   31  H   UNL     1       4.278   3.496  -2.472  1.00  0.00           H  
HETATM   32  H   UNL     1       2.565   3.979  -2.467  1.00  0.00           H  
HETATM   33  H   UNL     1       3.626   4.452  -1.119  1.00  0.00           H  
HETATM   34  H   UNL     1       5.440   3.480  -0.729  1.00  0.00           H  
HETATM   35  H   UNL     1       7.148   2.530   0.763  1.00  0.00           H  
HETATM   36  H   UNL     1       6.696   0.456   2.005  1.00  0.00           H  
HETATM   37  H   UNL     1       4.529  -0.680   1.770  1.00  0.00           H  
HETATM   38  H   UNL     1       1.016   1.711   0.452  1.00  0.00           H  
HETATM   39  H   UNL     1       4.153  -1.872  -0.583  1.00  0.00           H  
HETATM   40  H   UNL     1       3.512  -2.691   0.863  1.00  0.00           H  
HETATM   41  H   UNL     1       2.048  -3.019  -1.753  1.00  0.00           H  
HETATM   42  H   UNL     1       3.554  -3.934  -1.497  1.00  0.00           H  
HETATM   43  H   UNL     1       1.582  -5.238  -0.751  1.00  0.00           H  
HETATM   44  H   UNL     1       2.644  -4.842   0.621  1.00  0.00           H  
HETATM   45  H   UNL     1       0.018  -4.453   0.789  1.00  0.00           H  
HETATM   46  H   UNL     1       1.153  -3.283   1.503  1.00  0.00           H  
HETATM   47  H   UNL     1       0.328  -2.935  -1.268  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.082   1.007   1.942  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.513   1.363   1.929  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.811  -0.805  -1.756  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.378  -1.155  -1.747  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.595  -0.544  -1.765  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.028  -0.184  -1.769  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.093   1.074   0.057  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.732   1.972   1.900  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.298   1.618   1.923  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    3    1                                                 
CONECT    3    8    8    4    2                                       
CONECT    4    5    5    3   34                                       
CONECT    5    6    4    4   35                                       
CONECT    6    7    7    5   36                                       
CONECT    7    6    6    8   37                                       
CONECT    8    7    9    3    3                                       
CONECT    9   10   10    8   11                                       
CONECT   10   18    9    9   38                                       
CONECT   11    9   17   12                                            
CONECT   12   11   13   39   40                                       
CONECT   13   12   14   41   42                                       
CONECT   14   15   13   43   44                                       
CONECT   15   16   14   45   46                                       
CONECT   16   17   15   47                                            
CONECT   17   18   18   11   16                                       
CONECT   18   19   10   17   17                                       
CONECT   19   24   24   20   18                                       
CONECT   20   21   21   19   48                                       
CONECT   21   22   20   20   49                                       
CONECT   22   25   23   23   21                                       
CONECT   23   22   22   24   50                                       
CONECT   24   23   19   19   51                                       
CONECT   25   30   30   26   22                                       
CONECT   26   27   27   25   52                                       
CONECT   27   28   26   26   53                                       
CONECT   28   29   29   27   54                                       
CONECT   29   28   28   30   55                                       
CONECT   30   29   25   25   56                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
