COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   1       4.113   0.794  -0.135  1.00  0.00           N  
HETATM    2  C   UNK A   1       2.853   0.958   0.596  1.00  0.00           C  
HETATM    3  C   UNK A   1       1.962   1.918  -0.149  1.00  0.00           C  
HETATM    4  O   UNK A   1       2.341   2.415  -1.189  1.00  0.00           O  
HETATM    5  C   UNK A   1       3.143   1.511   1.993  1.00  0.00           C  
HETATM    6  S   UNK A   1       4.216   0.356   2.890  1.00  0.00           S  
HETATM    7  N   UNK A   2       0.743   2.222   0.339  1.00  0.00           N  
HETATM    8  C   UNK A   2      -0.124   3.155  -0.386  1.00  0.00           C  
HETATM    9  C   UNK A   2       0.226   4.569   0.001  1.00  0.00           C  
HETATM   10  O   UNK A   2       1.108   4.777   0.799  1.00  0.00           O  
HETATM   11  C   UNK A   2      -1.585   2.875  -0.029  1.00  0.00           C  
HETATM   12  C   UNK A   2      -1.976   1.484  -0.533  1.00  0.00           C  
HETATM   13  C   UNK A   2      -3.415   1.209  -0.182  1.00  0.00           C  
HETATM   14  O   UNK A   2      -4.064   2.042   0.413  1.00  0.00           O  
HETATM   15  O   UNK A   2      -0.444   5.598  -0.543  1.00  0.00           O  
HETATM   16  N   UNK A   2      -3.981   0.036  -0.529  1.00  0.00           N  
HETATM   17  C   UNK A   1      -5.380  -0.233  -0.187  1.00  0.00           C  
HETATM   18  C   UNK A   1      -5.600  -1.721  -0.103  1.00  0.00           C  
HETATM   19  O   UNK A   1      -4.679  -2.483  -0.308  1.00  0.00           O  
HETATM   20  C   UNK A   1      -6.290   0.358  -1.266  1.00  0.00           C  
HETATM   21  S   UNK A   1      -6.025   2.149  -1.367  1.00  0.00           S  
HETATM   22  N   UNK A   2      -6.821  -2.205   0.200  1.00  0.00           N  
HETATM   23  C   UNK A   2      -7.035  -3.652   0.282  1.00  0.00           C  
HETATM   24  C   UNK A   2      -8.474  -3.928   0.633  1.00  0.00           C  
HETATM   25  O   UNK A   2      -9.242  -3.010   0.799  1.00  0.00           O  
HETATM   26  O   UNK A   2      -8.903  -5.194   0.763  1.00  0.00           O  
HETATM   27  N   UNK A   1       9.035  -1.031  -0.687  1.00  0.00           N  
HETATM   28  C   UNK A   1       8.064  -2.030  -1.154  1.00  0.00           C  
HETATM   29  C   UNK A   1       8.610  -3.413  -0.909  1.00  0.00           C  
HETATM   30  O   UNK A   1       9.491  -3.581  -0.100  1.00  0.00           O  
HETATM   31  C   UNK A   1       6.749  -1.858  -0.391  1.00  0.00           C  
HETATM   32  C   UNK A   1       6.132  -0.502  -0.736  1.00  0.00           C  
HETATM   33  C   UNK A   1       4.837  -0.333   0.015  1.00  0.00           C  
HETATM   34  O   UNK A   1       4.446  -1.211   0.754  1.00  0.00           O  
HETATM   35  O   UNK A   1       8.117  -4.459  -1.591  1.00  0.00           O  
HETATM   36  H   UNK A   1       4.424   1.495  -0.729  1.00  0.00           H  
HETATM   37  H   UNK A   1       2.356  -0.008   0.683  1.00  0.00           H  
HETATM   38  H   UNK A   1       3.641   2.477   1.906  1.00  0.00           H  
HETATM   39  H   UNK A   1       2.206   1.633   2.536  1.00  0.00           H  
HETATM   40  H   UNK A   1       4.384   0.961   4.080  1.00  0.00           H  
HETATM   41  H   UNK A   2       0.440   1.824   1.170  1.00  0.00           H  
HETATM   42  H   UNK A   2       0.019   3.026  -1.459  1.00  0.00           H  
HETATM   43  H   UNK A   2      -1.709   2.917   1.053  1.00  0.00           H  
HETATM   44  H   UNK A   2      -2.223   3.624  -0.498  1.00  0.00           H  
HETATM   45  H   UNK A   2      -1.851   1.442  -1.615  1.00  0.00           H  
HETATM   46  H   UNK A   2      -1.337   0.735  -0.065  1.00  0.00           H  
HETATM   47  H   UNK A   2      -0.184   6.487  -0.264  1.00  0.00           H  
HETATM   48  H   UNK A   2      -3.461  -0.631  -1.005  1.00  0.00           H  
HETATM   49  H   UNK A   1      -5.613   0.224   0.775  1.00  0.00           H  
HETATM   50  H   UNK A   1      -6.057  -0.099  -2.228  1.00  0.00           H  
HETATM   51  H   UNK A   1      -7.331   0.158  -1.012  1.00  0.00           H  
HETATM   52  H   UNK A   1      -6.876   2.527  -2.338  1.00  0.00           H  
HETATM   53  H   UNK A   2      -7.557  -1.596   0.364  1.00  0.00           H  
HETATM   54  H   UNK A   2      -6.802  -4.109  -0.680  1.00  0.00           H  
HETATM   55  H   UNK A   2      -6.386  -4.073   1.050  1.00  0.00           H  
HETATM   56  H   UNK A   2      -9.834  -5.320   0.989  1.00  0.00           H  
HETATM   57  H   UNK A   1       9.217  -1.137   0.300  1.00  0.00           H  
HETATM   58  H   UNK A   1       9.890  -1.081  -1.220  1.00  0.00           H  
HETATM   59  H   UNK A   1       7.886  -1.892  -2.220  1.00  0.00           H  
HETATM   60  H   UNK A   1       6.059  -2.654  -0.673  1.00  0.00           H  
HETATM   61  H   UNK A   1       6.942  -1.907   0.681  1.00  0.00           H  
HETATM   62  H   UNK A   1       6.822   0.294  -0.454  1.00  0.00           H  
HETATM   63  H   UNK A   1       5.939  -0.453  -1.808  1.00  0.00           H  
HETATM   64  H   UNK A   1       8.499  -5.327  -1.400  1.00  0.00           H  
CONECT    1    2   36   33                                            
CONECT    2    1    3    5   37                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   38   39                                       
CONECT    6    5   40                                                 
CONECT    7    8   41    3                                            
CONECT    8    7    9   11   42                                       
CONECT    9    8   10   10   15                                       
CONECT   10    9    9                                                 
CONECT   11    8   12   43   44                                       
CONECT   12   11   13   45   46                                       
CONECT   13   12   14   14   16                                       
CONECT   14   13   13                                                 
CONECT   15    9   47                                                 
CONECT   16   17   48   13                                            
CONECT   17   16   18   20   49                                       
CONECT   18   17   19   19   22                                       
CONECT   19   18   18                                                 
CONECT   20   17   21   50   51                                       
CONECT   21   20   52                                                 
CONECT   22   23   53   18                                            
CONECT   23   22   24   54   55                                       
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   56                                                 
CONECT   27   28   57   58                                            
CONECT   28   27   29   31   59                                       
CONECT   29   28   30   30   35                                       
CONECT   30   29   29                                                 
CONECT   31   28   32   60   61                                       
CONECT   32   31   33   62   63                                       
CONECT   33   32   34   34    1                                       
CONECT   34   33   33                                                 
CONECT   35   29   64                                                 
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   31                                                      
CONECT   61   31                                                      
CONECT   62   32                                                      
CONECT   63   32                                                      
CONECT   64   35                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
