COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.790   0.922   0.111  1.00  0.00           O  
HETATM    2  C   UNL     1       1.413   0.130  -0.564  1.00  0.00           C  
HETATM    3  C   UNL     1       2.887  -0.070  -0.323  1.00  0.00           C  
HETATM    4  C   UNL     1       3.086  -1.068   0.820  1.00  0.00           C  
HETATM    5  C   UNL     1       4.582  -1.244   1.088  1.00  0.00           C  
HETATM    6  C   UNL     1       4.781  -2.242   2.231  1.00  0.00           C  
HETATM    7  C   UNL     1       4.170  -3.590   1.843  1.00  0.00           C  
HETATM    8  C   UNL     1       2.674  -3.414   1.575  1.00  0.00           C  
HETATM    9  C   UNL     1       2.475  -2.416   0.432  1.00  0.00           C  
HETATM   10  N   UNL     1       3.501   1.211   0.035  1.00  0.00           N  
HETATM   11  C   UNL     1       4.815   1.414  -0.189  1.00  0.00           C  
HETATM   12  O   UNL     1       5.488   0.537  -0.686  1.00  0.00           O  
HETATM   13  C   UNL     1       5.447   2.732   0.179  1.00  0.00           C  
HETATM   14  C   UNL     1       4.761   3.860  -0.594  1.00  0.00           C  
HETATM   15  N   UNL     1       6.875   2.702  -0.162  1.00  0.00           N  
HETATM   16  C   UNL     1       7.634   3.647   0.668  1.00  0.00           C  
HETATM   17  N   UNL     1       0.785  -0.576  -1.526  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.618  -0.410  -1.933  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.882  -1.408  -3.080  1.00  0.00           C  
HETATM   20  C   UNL     1       0.540  -1.683  -3.637  1.00  0.00           C  
HETATM   21  C   UNL     1       1.394  -1.637  -2.348  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.528  -0.713  -0.770  1.00  0.00           C  
HETATM   23  S   UNL     1      -1.357  -2.053   0.276  1.00  0.00           S  
HETATM   24  C   UNL     1      -2.772  -1.536   1.191  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.240  -0.404   0.624  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.539   0.005  -0.424  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.429   0.320   1.131  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.503   0.698   2.460  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.615   1.377   2.944  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.660   1.689   2.128  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.627   1.324   0.770  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.692   1.633  -0.092  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.498   0.637   0.260  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.465   0.278  -1.095  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.513   0.599  -1.904  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.628   1.265  -1.402  1.00  0.00           C  
HETATM   37  H   UNL     1       3.354  -0.457  -1.228  1.00  0.00           H  
HETATM   38  H   UNL     1       2.597  -0.693   1.719  1.00  0.00           H  
HETATM   39  H   UNL     1       5.070  -1.619   0.189  1.00  0.00           H  
HETATM   40  H   UNL     1       5.017  -0.284   1.365  1.00  0.00           H  
HETATM   41  H   UNL     1       5.847  -2.368   2.422  1.00  0.00           H  
HETATM   42  H   UNL     1       4.292  -1.867   3.130  1.00  0.00           H  
HETATM   43  H   UNL     1       4.659  -3.965   0.944  1.00  0.00           H  
HETATM   44  H   UNL     1       4.312  -4.301   2.657  1.00  0.00           H  
HETATM   45  H   UNL     1       2.239  -4.374   1.298  1.00  0.00           H  
HETATM   46  H   UNL     1       2.185  -3.039   2.474  1.00  0.00           H  
HETATM   47  H   UNL     1       1.409  -2.290   0.241  1.00  0.00           H  
HETATM   48  H   UNL     1       2.964  -2.791  -0.467  1.00  0.00           H  
HETATM   49  H   UNL     1       2.963   1.913   0.433  1.00  0.00           H  
HETATM   50  H   UNL     1       5.332   2.904   1.250  1.00  0.00           H  
HETATM   51  H   UNL     1       4.876   3.688  -1.664  1.00  0.00           H  
HETATM   52  H   UNL     1       3.701   3.882  -0.341  1.00  0.00           H  
HETATM   53  H   UNL     1       5.218   4.813  -0.328  1.00  0.00           H  
HETATM   54  H   UNL     1       7.247   1.768  -0.079  1.00  0.00           H  
HETATM   55  H   UNL     1       8.689   3.605   0.395  1.00  0.00           H  
HETATM   56  H   UNL     1       7.258   4.657   0.506  1.00  0.00           H  
HETATM   57  H   UNL     1       7.520   3.381   1.719  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.785   0.609  -2.282  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.331  -2.325  -2.698  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.515  -0.957  -3.845  1.00  0.00           H  
HETATM   61  H   UNL     1       0.592  -2.664  -4.107  1.00  0.00           H  
HETATM   62  H   UNL     1       0.845  -0.901  -4.332  1.00  0.00           H  
HETATM   63  H   UNL     1       2.428  -1.386  -2.587  1.00  0.00           H  
HETATM   64  H   UNL     1       1.346  -2.594  -1.829  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.190  -2.036   2.052  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.688   0.463   3.129  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.652   1.662   3.985  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.516   2.216   2.524  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.558   2.160   0.281  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.612  -0.250  -1.495  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.484   0.322  -2.947  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.448   1.504  -2.063  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   17                                       
CONECT    3    2    4   10   37                                       
CONECT    4    3    5    9   38                                       
CONECT    5    4    6   39   40                                       
CONECT    6    5    7   41   42                                       
CONECT    7    6    8   43   44                                       
CONECT    8    7    9   45   46                                       
CONECT    9    4    8   47   48                                       
CONECT   10    3   11   49                                            
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   15   50                                       
CONECT   14   13   51   52   53                                       
CONECT   15   13   16   54                                            
CONECT   16   15   55   56   57                                       
CONECT   17    2   18   21                                            
CONECT   18   17   19   22   58                                       
CONECT   19   18   20   59   60                                       
CONECT   20   19   21   61   62                                       
CONECT   21   17   20   63   64                                       
CONECT   22   18   23   26   26                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   25   65                                       
CONECT   25   24   24   26   27                                       
CONECT   26   22   22   25                                            
CONECT   27   25   28   28   33                                       
CONECT   28   27   27   29   66                                       
CONECT   29   28   30   30   67                                       
CONECT   30   29   29   31   68                                       
CONECT   31   30   32   32   33                                       
CONECT   32   31   31   36   69                                       
CONECT   33   27   31   34   34                                       
CONECT   34   33   33   35   70                                       
CONECT   35   34   36   36   71                                       
CONECT   36   32   35   35   72                                       
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   24                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   32                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
