COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.744  -4.877   2.552  1.00  0.00           O  
HETATM    2  S   UNL     1      -3.641  -5.258   1.477  1.00  0.00           S  
HETATM    3  O   UNL     1      -5.063  -4.484   1.681  1.00  0.00           O  
HETATM    4  O   UNL     1      -3.909  -6.650   1.167  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.142  -4.433  -0.003  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.727  -4.792  -0.413  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.335  -4.144  -1.647  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.857  -2.830  -1.642  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.676  -1.963  -0.575  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.177  -0.681  -0.829  1.00  0.00           C  
HETATM   11  C   UNL     1       0.135  -0.276  -2.135  1.00  0.00           C  
HETATM   12  S   UNL     1       0.757   1.332  -2.417  1.00  0.00           S  
HETATM   13  O   UNL     1       1.373   1.797  -1.183  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.563   2.263  -2.671  1.00  0.00           O  
HETATM   15  O   UNL     1       1.519   1.280  -3.654  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.047  -1.146  -3.210  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.541  -2.415  -2.950  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.834  -3.553  -3.918  1.00  0.00           C  
HETATM   19  C   UNL     1       0.451  -3.990  -4.635  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.910  -3.133  -4.928  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.353  -4.651  -2.948  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.739  -5.869  -3.359  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.712  -6.283  -4.742  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.101  -7.505  -5.142  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.106  -8.007  -6.517  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.629  -7.069  -7.602  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.508  -9.247  -6.870  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.552  -9.840  -8.193  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.977 -11.093  -8.402  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.988 -11.612  -9.768  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.217 -11.463 -10.692  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.527  -9.988 -10.963  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.433 -12.192 -10.113  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.705 -12.149 -11.924  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.312 -12.373 -13.149  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.586 -13.050 -14.132  1.00  0.00           C  
HETATM   37  S   UNL     1      -4.315 -13.353 -15.691  1.00  0.00           S  
HETATM   38  O   UNL     1      -3.646 -14.503 -16.283  1.00  0.00           O  
HETATM   39  O   UNL     1      -3.929 -12.054 -16.604  1.00  0.00           O  
HETATM   40  O   UNL     1      -5.755 -13.354 -15.491  1.00  0.00           O  
HETATM   41  C   UNL     1      -2.277 -13.491 -13.880  1.00  0.00           C  
HETATM   42  C   UNL     1      -1.671 -13.262 -12.642  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.407 -12.588 -11.681  1.00  0.00           C  
HETATM   44  N   UNL     1      -2.021 -12.241 -10.370  1.00  0.00           N1+
HETATM   45  C   UNL     1      -0.680 -12.605  -9.886  1.00  0.00           C  
HETATM   46  C   UNL     1       0.331 -11.577 -10.351  1.00  0.00           C  
HETATM   47  S   UNL     1       1.963 -11.904  -9.756  1.00  0.00           S  
HETATM   48  O   UNL     1       2.386 -13.205 -10.239  1.00  0.00           O  
HETATM   49  O   UNL     1       2.022 -11.560  -8.348  1.00  0.00           O  
HETATM   50  O   UNL     1       2.734 -10.749 -10.612  1.00  0.00           O  
HETATM   51  H   UNL     1      -3.852  -4.739  -0.777  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.254  -3.360   0.175  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.001  -4.507   0.355  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.645  -5.870  -0.581  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.912  -2.258   0.442  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.028   0.013  -0.006  1.00  0.00           H  
HETATM   57  H   UNL     1       0.196  -0.830  -4.218  1.00  0.00           H  
HETATM   58  H   UNL     1       0.217  -4.443  -5.602  1.00  0.00           H  
HETATM   59  H   UNL     1       1.107  -3.130  -4.807  1.00  0.00           H  
HETATM   60  H   UNL     1       0.996  -4.724  -4.034  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.252  -3.996  -5.507  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.773  -2.700  -4.412  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.515  -2.387  -5.623  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.090  -6.578  -2.617  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.355  -5.547  -5.458  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.447  -8.191  -4.373  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.253  -6.170  -7.640  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.588  -6.774  -7.430  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.669  -7.527  -8.597  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.849  -9.912  -6.075  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.228  -9.242  -9.038  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.315 -11.748  -7.608  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.813  -9.480 -10.037  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.651  -9.482 -11.378  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.350  -9.893 -11.677  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.118 -12.947  -9.387  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.100 -11.486  -9.609  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.995 -12.691 -10.907  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.324 -12.029 -13.337  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.720 -14.018 -14.651  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.659 -13.608 -12.465  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.459 -13.610 -10.258  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.737 -12.629  -8.794  1.00  0.00           H  
HETATM   84  H   UNL     1       0.066 -10.590  -9.961  1.00  0.00           H  
HETATM   85  H   UNL     1       0.393 -11.513 -11.443  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.995  -3.539   1.955  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.176   2.342  -1.903  1.00  0.00           H  
HETATM   88  H   UNL     1       2.804 -10.917 -11.581  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.965 -11.932 -16.776  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    2    4    5                                                 
CONECT    3    2   86                                                 
CONECT    4    2    2                                                 
CONECT    5    2    6   51   52                                       
CONECT    6    5    7   53   54                                       
CONECT    7    6    8   21                                            
CONECT    8    7    9   17   17                                       
CONECT    9    8   10   10   55                                       
CONECT   10    9    9   11   56                                       
CONECT   11   10   12   16   16                                       
CONECT   12   11   13   13   14                                       
CONECT   12   15   15                                                 
CONECT   13   12   12                                                 
CONECT   14   12   87                                                 
CONECT   15   12   12                                                 
CONECT   16   11   11   17   57                                       
CONECT   17    8    8   16   18                                       
CONECT   18   17   19   20   21                                       
CONECT   19   18   58   59   60                                       
CONECT   20   18   61   62   63                                       
CONECT   21    7   18   22   22                                       
CONECT   22   21   21   23   64                                       
CONECT   23   22   24   24   65                                       
CONECT   24   23   23   25   66                                       
CONECT   25   24   26   27   27                                       
CONECT   26   25   67   68   69                                       
CONECT   27   25   25   28   70                                       
CONECT   28   27   71   29   29                                       
CONECT   29   28   28   72   30                                       
CONECT   30   29   31   44   44                                       
CONECT   31   30   32   33   34                                       
CONECT   32   31   73   74   75                                       
CONECT   33   31   76   77   78                                       
CONECT   34   31   35   43   43                                       
CONECT   35   34   79   36   36                                       
CONECT   36   35   35   37   41                                       
CONECT   37   36   38   38   39                                       
CONECT   37   40   40                                                 
CONECT   38   37   37                                                 
CONECT   39   37   89                                                 
CONECT   40   37   37                                                 
CONECT   41   36   80   42   42                                       
CONECT   42   41   41   81   43                                       
CONECT   43   34   34   42   44                                       
CONECT   44   30   30   43   45                                       
CONECT   45   44   82   83   46                                       
CONECT   46   45   84   85   47                                       
CONECT   47   46   48   48   49                                       
CONECT   47   49   50                                                 
CONECT   48   47   47                                                 
CONECT   49   47   47                                                 
CONECT   50   47   88                                                 
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   16                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   35                                                      
CONECT   80   41                                                      
CONECT   81   42                                                      
CONECT   82   45                                                      
CONECT   83   45                                                      
CONECT   84   46                                                      
CONECT   85   46                                                      
CONECT   86    3                                                      
CONECT   87   14                                                      
CONECT   88   50                                                      
CONECT   89   39                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
