COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.295  -2.576  -2.642  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.567  -2.295  -1.832  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.537  -1.226  -2.129  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.483  -0.915  -1.259  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.477  -0.534  -3.326  1.00  0.00           C  
HETATM    6  S   UNL     1      -2.807   0.570  -3.154  1.00  0.00           S  
HETATM    7  C   UNL     1      -3.344   0.048  -1.533  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.461   0.556  -0.717  1.00  0.00           C  
HETATM    9  S   UNL     1      -5.629   1.855  -1.096  1.00  0.00           S  
HETATM   10  C   UNL     1      -6.560   1.762   0.414  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.644   2.427   0.931  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.121   2.078   2.186  1.00  0.00           C  
HETATM   13  O   UNL     1      -9.194   2.723   2.717  1.00  0.00           O  
HETATM   14  C   UNL     1      -5.897   0.723   1.113  1.00  0.00           C  
HETATM   15  N   UNL     1      -4.857   0.165   0.476  1.00  0.00           N  
HETATM   16  C   UNL     1      -6.415   0.399   2.390  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.489   1.060   2.896  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.636  -2.962  -0.663  1.00  0.00           N  
HETATM   19  S   UNL     1       0.454  -4.163  -0.329  1.00  0.00           S  
HETATM   20  O   UNL     1       0.144  -4.613   0.983  1.00  0.00           O  
HETATM   21  O   UNL     1       0.495  -4.980  -1.491  1.00  0.00           O  
HETATM   22  O   UNL     1       1.828  -3.516  -0.230  1.00  0.00           O  
HETATM   23  C   UNL     1       1.873  -2.832   1.024  1.00  0.00           C  
HETATM   24  C   UNL     1       3.236  -2.155   1.187  1.00  0.00           C  
HETATM   25  C   UNL     1       3.326  -1.447   2.557  1.00  0.00           C  
HETATM   26  O   UNL     1       4.021  -2.267   3.500  1.00  0.00           O  
HETATM   27  C   UNL     1       4.129  -0.159   2.263  1.00  0.00           C  
HETATM   28  O   UNL     1       5.344  -0.142   3.016  1.00  0.00           O  
HETATM   29  C   UNL     1       4.425  -0.241   0.749  1.00  0.00           C  
HETATM   30  O   UNL     1       3.393  -1.099   0.215  1.00  0.00           O  
HETATM   31  N   UNL     1       4.347   1.089   0.140  1.00  0.00           N  
HETATM   32  C   UNL     1       5.363   2.008   0.064  1.00  0.00           C  
HETATM   33  N   UNL     1       6.632   2.038   0.458  1.00  0.00           N  
HETATM   34  C   UNL     1       7.379   3.099   0.233  1.00  0.00           C  
HETATM   35  N   UNL     1       6.919   4.171  -0.385  1.00  0.00           N  
HETATM   36  C   UNL     1       4.824   3.128  -0.593  1.00  0.00           C  
HETATM   37  C   UNL     1       5.663   4.233  -0.815  1.00  0.00           C  
HETATM   38  N   UNL     1       5.190   5.361  -1.462  1.00  0.00           N  
HETATM   39  N   UNL     1       3.534   2.836  -0.886  1.00  0.00           N  
HETATM   40  C   UNL     1       3.251   1.642  -0.453  1.00  0.00           C  
HETATM   41  H   UNL     1      -0.787  -0.649  -4.149  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.121   3.214   0.366  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.980   2.234   2.439  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.951  -0.385   2.970  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.861   0.790   3.873  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.324  -2.738  -0.016  1.00  0.00           H  
HETATM   47  H   UNL     1       1.722  -3.546   1.833  1.00  0.00           H  
HETATM   48  H   UNL     1       1.087  -2.077   1.054  1.00  0.00           H  
HETATM   49  H   UNL     1       4.036  -2.887   1.085  1.00  0.00           H  
HETATM   50  H   UNL     1       2.331  -1.202   2.927  1.00  0.00           H  
HETATM   51  H   UNL     1       4.047  -1.775   4.332  1.00  0.00           H  
HETATM   52  H   UNL     1       3.530   0.724   2.486  1.00  0.00           H  
HETATM   53  H   UNL     1       5.093  -0.152   3.950  1.00  0.00           H  
HETATM   54  H   UNL     1       5.408  -0.679   0.577  1.00  0.00           H  
HETATM   55  H   UNL     1       8.406   3.091   0.565  1.00  0.00           H  
HETATM   56  H   UNL     1       5.778   6.120  -1.606  1.00  0.00           H  
HETATM   57  H   UNL     1       4.273   5.393  -1.775  1.00  0.00           H  
HETATM   58  H   UNL     1       2.290   1.160  -0.551  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   18                                       
CONECT    3    2    4    5    5                                       
CONECT    4    3    7    7                                            
CONECT    5    3    3    6   41                                       
CONECT    6    5    7                                                 
CONECT    7    4    4    6    8                                       
CONECT    8    7    9   15   15                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   14   14                                       
CONECT   11   10   12   12   42                                       
CONECT   12   11   11   13   17                                       
CONECT   13   12   43                                                 
CONECT   14   10   10   15   16                                       
CONECT   15    8    8   14                                            
CONECT   16   14   17   17   44                                       
CONECT   17   12   16   16   45                                       
CONECT   18    2   19   46                                            
CONECT   19   18   20   20   21                                       
CONECT   19   21   22                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   19   23                                                 
CONECT   23   22   24   47   48                                       
CONECT   24   23   25   30   49                                       
CONECT   25   24   26   27   50                                       
CONECT   26   25   51                                                 
CONECT   27   25   28   29   52                                       
CONECT   28   27   53                                                 
CONECT   29   27   30   31   54                                       
CONECT   30   24   29                                                 
CONECT   31   29   32   40                                            
CONECT   32   31   33   36   36                                       
CONECT   33   32   34   34                                            
CONECT   34   33   33   35   55                                       
CONECT   35   34   37   37                                            
CONECT   36   32   32   37   39                                       
CONECT   37   35   35   36   38                                       
CONECT   38   37   56   57                                            
CONECT   39   36   40   40                                            
CONECT   40   31   39   39   58                                       
CONECT   41    5                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   34                                                      
CONECT   56   38                                                      
CONECT   57   38                                                      
CONECT   58   40                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
