COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.853   1.966   0.899  1.00  0.00           O  
HETATM    2  S   UNL     1      -3.854   0.997   1.179  1.00  0.00           S  
HETATM    3  O   UNL     1      -4.716   1.138   2.300  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.809   0.618  -0.315  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.722   1.773  -0.635  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.283   2.795  -1.455  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.121   3.855  -1.748  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.398   3.892  -1.221  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.838   2.870  -0.401  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.002   1.808  -0.112  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.004  -0.390   1.490  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.007  -0.868   0.530  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.008  -2.398   0.513  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.326  -2.894  -0.023  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.465  -3.168  -1.371  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.674  -3.622  -1.862  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.745  -3.803  -1.006  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.605  -3.531   0.342  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.395  -3.080   0.834  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.642  -0.371   0.933  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.516   0.315   1.925  1.00  0.00           O  
HETATM   22  N   UNL     1       0.437  -0.690   0.192  1.00  0.00           N  
HETATM   23  C   UNL     1       1.763  -0.207   0.584  1.00  0.00           C  
HETATM   24  C   UNL     1       2.790  -0.699  -0.403  1.00  0.00           C  
HETATM   25  O   UNL     1       2.447  -1.386  -1.342  1.00  0.00           O  
HETATM   26  N   UNL     1       4.088  -0.376  -0.243  1.00  0.00           N  
HETATM   27  C   UNL     1       5.086  -0.855  -1.203  1.00  0.00           C  
HETATM   28  C   UNL     1       6.450  -0.358  -0.800  1.00  0.00           C  
HETATM   29  C   UNL     1       7.238  -1.117   0.047  1.00  0.00           C  
HETATM   30  C   UNL     1       8.488  -0.668   0.419  1.00  0.00           C  
HETATM   31  C   UNL     1       6.912   0.854  -1.282  1.00  0.00           C  
HETATM   32  C   UNL     1       8.161   1.314  -0.917  1.00  0.00           C  
HETATM   33  C   UNL     1       8.957   0.555  -0.060  1.00  0.00           C  
HETATM   34  C   UNL     1      10.298   1.043   0.337  1.00  0.00           C  
HETATM   35  N   UNL     1      10.759   2.252  -0.138  1.00  0.00           N  
HETATM   36  N   UNL     1      11.041   0.331   1.134  1.00  0.00           N  
HETATM   37  H   UNL     1      -4.128   0.451  -1.150  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.404  -0.280  -0.148  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.167  -0.885   2.308  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.285   2.766  -1.867  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.347   1.007   0.525  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.777   4.654  -2.388  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.052   4.721  -1.449  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.836   2.899   0.011  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.250  -0.494  -0.464  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.199  -2.755  -0.124  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.864  -2.773   1.527  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.629  -3.026  -2.039  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.285  -2.871   1.888  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.783  -3.835  -2.916  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.689  -4.158  -1.391  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.441  -3.672   1.010  1.00  0.00           H  
HETATM   53  H   UNL     1       0.336  -1.239  -0.601  1.00  0.00           H  
HETATM   54  H   UNL     1       1.764   0.883   0.596  1.00  0.00           H  
HETATM   55  H   UNL     1       2.007  -0.581   1.579  1.00  0.00           H  
HETATM   56  H   UNL     1       4.363   0.173   0.508  1.00  0.00           H  
HETATM   57  H   UNL     1       5.085  -1.944  -1.215  1.00  0.00           H  
HETATM   58  H   UNL     1       4.842  -0.480  -2.198  1.00  0.00           H  
HETATM   59  H   UNL     1       6.873  -2.064   0.417  1.00  0.00           H  
HETATM   60  H   UNL     1       6.295   1.441  -1.946  1.00  0.00           H  
HETATM   61  H   UNL     1       9.102  -1.262   1.080  1.00  0.00           H  
HETATM   62  H   UNL     1       8.521   2.260  -1.294  1.00  0.00           H  
HETATM   63  H   UNL     1      10.205   2.783  -0.731  1.00  0.00           H  
HETATM   64  H   UNL     1      11.637   2.572   0.122  1.00  0.00           H  
HETATM   65  H   UNL     1      11.920   0.650   1.393  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4   11                                                 
CONECT    3    2    2                                                 
CONECT    4    2    5   37   38                                       
CONECT    5    4    6   10   10                                       
CONECT    6    5    7    7   40                                       
CONECT    7    6    6    8   42                                       
CONECT    8    7    9    9   43                                       
CONECT    9    8    8   10   44                                       
CONECT   10    5    5    9   41                                       
CONECT   11    2   12   39                                            
CONECT   12   11   13   20   45                                       
CONECT   13   12   14   46   47                                       
CONECT   14   13   15   19   19                                       
CONECT   15   14   16   16   48                                       
CONECT   16   15   15   17   50                                       
CONECT   17   16   18   18   51                                       
CONECT   18   17   17   19   52                                       
CONECT   19   14   14   18   49                                       
CONECT   20   12   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   53                                            
CONECT   23   22   24   54   55                                       
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   56                                            
CONECT   27   26   28   57   58                                       
CONECT   28   27   29   31   31                                       
CONECT   29   28   30   30   59                                       
CONECT   30   29   29   33   61                                       
CONECT   31   28   28   32   60                                       
CONECT   32   31   33   33   62                                       
CONECT   33   30   32   32   34                                       
CONECT   34   33   35   36   36                                       
CONECT   35   34   63   64                                            
CONECT   36   34   34   65                                            
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39   11                                                      
CONECT   40    6                                                      
CONECT   41   10                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   15                                                      
CONECT   49   19                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   29                                                      
CONECT   60   31                                                      
CONECT   61   30                                                      
CONECT   62   32                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
CONECT   65   36                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
