COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.755   3.775   1.789  1.00  0.00           C  
HETATM    2  C   UNL     1       4.863   3.678   0.807  1.00  0.00           C  
HETATM    3  C   UNL     1       3.536   3.101   1.074  1.00  0.00           C  
HETATM    4  O   UNL     1       3.255   2.714   2.192  1.00  0.00           O  
HETATM    5  N   UNL     1       2.632   3.002   0.079  1.00  0.00           N  
HETATM    6  C   UNL     1       2.841   3.424  -1.314  1.00  0.00           C  
HETATM    7  C   UNL     1       1.551   3.088  -2.092  1.00  0.00           C  
HETATM    8  C   UNL     1       0.899   1.981  -1.223  1.00  0.00           C  
HETATM    9  C   UNL     1       1.272   2.448   0.207  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.555   1.959  -1.405  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.264   0.795  -1.168  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.578   0.793  -1.338  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.292  -0.302  -1.121  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.785  -0.290  -1.318  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.437   0.203  -0.097  1.00  0.00           N  
HETATM   16  C   UNL     1      -5.246  -0.736   1.017  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.888  -0.156   2.281  1.00  0.00           C  
HETATM   18  O   UNL     1      -7.270   0.110   2.028  1.00  0.00           O  
HETATM   19  C   UNL     1      -7.492   1.022   0.949  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.867   0.454  -0.328  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.651  -1.456  -0.711  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.266  -1.423  -0.541  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.580  -2.558  -0.131  1.00  0.00           N  
HETATM   24  C   UNL     1       0.800  -2.546  -0.067  1.00  0.00           C  
HETATM   25  N   UNL     1       1.533  -3.572   0.201  1.00  0.00           N  
HETATM   26  C   UNL     1       2.869  -3.402   0.221  1.00  0.00           C  
HETATM   27  C   UNL     1       3.882  -4.350   0.484  1.00  0.00           C  
HETATM   28  C   UNL     1       5.198  -3.941   0.450  1.00  0.00           C  
HETATM   29  C   UNL     1       5.498  -2.620   0.161  1.00  0.00           C  
HETATM   30  N   UNL     1       4.543  -1.749  -0.081  1.00  0.00           N  
HETATM   31  C   UNL     1       3.258  -2.088  -0.062  1.00  0.00           C  
HETATM   32  S   UNL     1       1.805  -1.131  -0.346  1.00  0.00           S  
HETATM   33  N   UNL     1      -0.612  -0.291  -0.782  1.00  0.00           N  
HETATM   34  H   UNL     1       5.506   3.431   2.782  1.00  0.00           H  
HETATM   35  H   UNL     1       6.731   4.195   1.592  1.00  0.00           H  
HETATM   36  H   UNL     1       5.112   4.022  -0.186  1.00  0.00           H  
HETATM   37  H   UNL     1       3.029   4.497  -1.352  1.00  0.00           H  
HETATM   38  H   UNL     1       3.686   2.885  -1.741  1.00  0.00           H  
HETATM   39  H   UNL     1       0.902   3.961  -2.157  1.00  0.00           H  
HETATM   40  H   UNL     1       1.789   2.709  -3.086  1.00  0.00           H  
HETATM   41  H   UNL     1       1.333   1.006  -1.442  1.00  0.00           H  
HETATM   42  H   UNL     1       1.271   1.600   0.891  1.00  0.00           H  
HETATM   43  H   UNL     1       0.580   3.216   0.552  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.020   2.761  -1.692  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.036   0.365  -2.153  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.132  -1.301  -1.532  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.716  -1.689   0.775  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.180  -0.887   1.187  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.799  -0.874   3.096  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.382   0.770   2.554  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.564   1.156   0.801  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.034   1.982   1.184  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.984   1.172  -1.140  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.363  -0.480  -0.592  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.209  -2.362  -0.527  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.070  -3.360   0.110  1.00  0.00           H  
HETATM   57  H   UNL     1       3.631  -5.376   0.708  1.00  0.00           H  
HETATM   58  H   UNL     1       5.991  -4.647   0.647  1.00  0.00           H  
HETATM   59  H   UNL     1       6.530  -2.301   0.134  1.00  0.00           H  
CONECT    1    2    2   34   35                                       
CONECT    2    3    1    1   36                                       
CONECT    3    5    4    4    2                                       
CONECT    4    3    3                                                 
CONECT    5    6    9    3                                            
CONECT    6    7    5   37   38                                       
CONECT    7    6    8   39   40                                       
CONECT    8    7   10    9   41                                       
CONECT    9    8    5   42   43                                       
CONECT   10   11    8   44                                            
CONECT   11   33   33   10   12                                       
CONECT   12   11   13   13                                            
CONECT   13   21   14   12   12                                       
CONECT   14   13   15   45   46                                       
CONECT   15   14   20   16                                            
CONECT   16   15   17   47   48                                       
CONECT   17   16   18   49   50                                       
CONECT   18   19   17                                                 
CONECT   19   20   18   51   52                                       
CONECT   20   15   19   53   54                                       
CONECT   21   22   22   13   55                                       
CONECT   22   23   21   21   33                                       
CONECT   23   24   22   56                                            
CONECT   24   25   25   32   23                                       
CONECT   25   26   24   24                                            
CONECT   26   27   31   31   25                                       
CONECT   27   28   28   26   57                                       
CONECT   28   27   27   29   58                                       
CONECT   29   28   30   30   59                                       
CONECT   30   29   29   31                                            
CONECT   31   26   26   30   32                                       
CONECT   32   31   24                                                 
CONECT   33   22   11   11                                            
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   23                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   29                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
