COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -7.711  -1.723   0.764  1.00  0.00           N  
HETATM    2  C   UNL     1      -6.435  -1.347   0.553  1.00  0.00           C  
HETATM    3  O   UNL     1      -6.179  -0.190   0.282  1.00  0.00           O  
HETATM    4  N   UNL     1      -5.441  -2.253   0.643  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.130  -1.889   0.316  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.769  -2.105   0.673  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.061  -2.462   0.994  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.534  -1.168  -0.332  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.899  -0.959  -0.690  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.608  -0.598  -1.014  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.145  -0.781  -0.678  1.00  0.00           C  
HETATM   12  C   UNL     1       0.982  -1.257  -0.096  1.00  0.00           C  
HETATM   13  N   UNL     1       2.059  -0.635  -0.717  1.00  0.00           N  
HETATM   14  C   UNL     1       1.528   0.191  -1.651  1.00  0.00           C  
HETATM   15  N   UNL     1       0.218   0.100  -1.632  1.00  0.00           N  
HETATM   16  S   UNL     1       2.883   0.996  -2.456  1.00  0.00           S  
HETATM   17  C   UNL     1       3.454  -0.653  -0.612  1.00  0.00           C  
HETATM   18  C   UNL     1       4.127   0.183  -1.498  1.00  0.00           C  
HETATM   19  C   UNL     1       4.223  -1.423   0.274  1.00  0.00           C  
HETATM   20  C   UNL     1       5.595  -1.339   0.268  1.00  0.00           C  
HETATM   21  C   UNL     1       5.510   0.267  -1.507  1.00  0.00           C  
HETATM   22  C   UNL     1       6.251  -0.492  -0.616  1.00  0.00           C  
HETATM   23  O   UNL     1       7.609  -0.416  -0.614  1.00  0.00           O  
HETATM   24  C   UNL     1       8.303  -1.238   0.326  1.00  0.00           C  
HETATM   25  C   UNL     1       9.810  -1.019   0.179  1.00  0.00           C  
HETATM   26  N   UNL     1      10.142   0.363   0.552  1.00  0.00           N  
HETATM   27  C   UNL     1      11.533   0.683   0.202  1.00  0.00           C  
HETATM   28  C   UNL     1      11.818   2.146   0.552  1.00  0.00           C  
HETATM   29  O   UNL     1      11.546   2.361   1.939  1.00  0.00           O  
HETATM   30  C   UNL     1      10.200   2.059   2.315  1.00  0.00           C  
HETATM   31  C   UNL     1       9.899   0.595   1.983  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.739  -0.785   0.671  1.00  0.00           C  
HETATM   33  N   UNL     1     -10.017  -1.002   0.844  1.00  0.00           N  
HETATM   34  O   UNL     1     -10.661   0.011   0.697  1.00  0.00           O  
HETATM   35  C   UNL     1      -9.879   1.059   0.401  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.608   0.598   0.377  1.00  0.00           C  
HETATM   37  C   UNL     1     -10.328   2.476   0.152  1.00  0.00           C  
HETATM   38  C   UNL     1      -9.673   3.406   1.175  1.00  0.00           C  
HETATM   39  C   UNL     1      -9.916   2.899  -1.260  1.00  0.00           C  
HETATM   40  C   UNL     1     -11.849   2.560   0.286  1.00  0.00           C  
HETATM   41  H   UNL     1      -7.916  -2.648   0.976  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.635  -3.158   0.934  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.938  -2.551   1.200  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.243  -3.188   1.773  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.731  -0.518  -1.219  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.429   0.128  -1.793  1.00  0.00           H  
HETATM   47  H   UNL     1       1.034  -1.983   0.702  1.00  0.00           H  
HETATM   48  H   UNL     1       3.731  -2.088   0.969  1.00  0.00           H  
HETATM   49  H   UNL     1       6.170  -1.940   0.958  1.00  0.00           H  
HETATM   50  H   UNL     1       6.008   0.923  -2.205  1.00  0.00           H  
HETATM   51  H   UNL     1       7.994  -0.975   1.337  1.00  0.00           H  
HETATM   52  H   UNL     1       8.068  -2.286   0.135  1.00  0.00           H  
HETATM   53  H   UNL     1      10.343  -1.709   0.833  1.00  0.00           H  
HETATM   54  H   UNL     1      10.105  -1.197  -0.855  1.00  0.00           H  
HETATM   55  H   UNL     1      12.208   0.037   0.763  1.00  0.00           H  
HETATM   56  H   UNL     1      11.685   0.528  -0.867  1.00  0.00           H  
HETATM   57  H   UNL     1      12.864   2.373   0.347  1.00  0.00           H  
HETATM   58  H   UNL     1      11.181   2.795  -0.049  1.00  0.00           H  
HETATM   59  H   UNL     1      10.075   2.223   3.386  1.00  0.00           H  
HETATM   60  H   UNL     1       9.515   2.705   1.766  1.00  0.00           H  
HETATM   61  H   UNL     1       8.856   0.376   2.215  1.00  0.00           H  
HETATM   62  H   UNL     1      10.547  -0.052   2.573  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.703   1.151   0.173  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.998   4.431   0.994  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.966   3.104   2.180  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.589   3.346   1.079  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.382   2.237  -1.989  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.241   3.924  -1.441  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.832   2.840  -1.356  1.00  0.00           H  
HETATM   70  H   UNL     1     -12.316   1.897  -0.443  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.143   2.258   1.291  1.00  0.00           H  
HETATM   72  H   UNL     1     -12.174   3.584   0.105  1.00  0.00           H  
CONECT    1    2   32   41                                            
CONECT    2    3    3    4    1                                       
CONECT    3    2    2                                                 
CONECT    4    5    2   42                                            
CONECT    5    9    9    7    4                                       
CONECT    6    8    7    7   43                                       
CONECT    7    6    6    5   44                                       
CONECT    8   11   10   10    6                                       
CONECT    9   10    5    5   45                                       
CONECT   10    8    8    9   46                                       
CONECT   11   12   12   15    8                                       
CONECT   12   13   11   11   47                                       
CONECT   13   17   14   12                                            
CONECT   14   16   13   15   15                                       
CONECT   15   14   14   11                                            
CONECT   16   18   14                                                 
CONECT   17   19   19   18   13                                       
CONECT   18   21   21   17   16                                       
CONECT   19   20   17   17   48                                       
CONECT   20   22   22   19   49                                       
CONECT   21   22   18   18   50                                       
CONECT   22   23   20   20   21                                       
CONECT   23   24   22                                                 
CONECT   24   25   23   51   52                                       
CONECT   25   26   24   53   54                                       
CONECT   26   27   31   25                                            
CONECT   27   28   26   55   56                                       
CONECT   28   29   27   57   58                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   59   60                                       
CONECT   31   30   26   61   62                                       
CONECT   32   36    1   33   33                                       
CONECT   33   32   32   34                                            
CONECT   34   35   33                                                 
CONECT   35   36   36   37   34                                       
CONECT   36   35   35   32   63                                       
CONECT   37   38   39   35   40                                       
CONECT   38   37   64   65   66                                       
CONECT   39   37   67   68   69                                       
CONECT   40   37   70   71   72                                       
CONECT   41    1                                                      
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   12                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   28                                                      
CONECT   59   30                                                      
CONECT   60   30                                                      
CONECT   61   31                                                      
CONECT   62   31                                                      
CONECT   63   36                                                      
CONECT   64   38                                                      
CONECT   65   38                                                      
CONECT   66   38                                                      
CONECT   67   39                                                      
CONECT   68   39                                                      
CONECT   69   39                                                      
CONECT   70   40                                                      
CONECT   71   40                                                      
CONECT   72   40                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
