COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       1.091  -2.051  -1.493  1.00  0.00           S  
HETATM    2  O   UNL     1       2.043  -1.923  -0.446  1.00  0.00           O  
HETATM    3  O   UNL     1       1.369  -2.714  -2.719  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.254  -1.544   2.608  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.762  -1.516   2.884  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.354  -2.845   2.409  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.841  -3.163   1.027  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.501  -4.136   0.293  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.069  -4.470  -0.975  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.969  -3.831  -1.519  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.310  -2.861  -0.796  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.743  -2.517   0.485  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.010  -1.346   4.384  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.043  -1.518   1.159  1.00  0.00           N  
HETATM   15  N   UNL     1       0.621  -0.513  -1.889  1.00  0.00           N  
HETATM   16  C   UNL     1       0.382   0.474  -0.834  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.827   1.303  -1.186  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.299   1.243  -2.301  1.00  0.00           O  
HETATM   19  C   UNL     1       1.604   1.385  -0.701  1.00  0.00           C  
HETATM   20  C   UNL     1       2.817   0.553  -0.282  1.00  0.00           C  
HETATM   21  C   UNL     1       4.006   1.480  -0.022  1.00  0.00           C  
HETATM   22  N   UNL     1       5.168   0.683   0.379  1.00  0.00           N  
HETATM   23  C   UNL     1       6.355   1.300   0.665  1.00  0.00           C  
HETATM   24  N   UNL     1       6.454   2.626   0.579  1.00  0.00           N  
HETATM   25  N   UNL     1       7.411   0.576   1.030  1.00  0.00           N1+
HETATM   26  N   UNL     1      -1.382   2.111  -0.261  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.616   2.852  -0.558  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.648   2.548   0.532  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.044   2.858   1.903  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.820   1.969   2.136  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.769   2.263   1.066  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.154   2.420  -1.898  1.00  0.00           C  
HETATM   33  O   UNL     1      -3.267   1.245  -2.154  1.00  0.00           O  
HETATM   34  O   UNL     1      -3.507   3.342  -2.808  1.00  0.00           O  
HETATM   35  C   UNL     1      -2.623   4.328   1.953  1.00  0.00           C  
HETATM   36  H   UNL     1       0.941  -1.553   0.936  1.00  0.00           H  
HETATM   37  H   UNL     1       0.218  -0.673   3.062  1.00  0.00           H  
HETATM   38  H   UNL     1       0.177  -2.454   3.026  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.221  -0.691   2.339  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.062  -3.638   3.096  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.441  -2.769   2.383  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.359  -4.636   0.716  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.589  -5.229  -1.541  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.628  -4.092  -2.510  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.564  -0.411   4.723  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.083  -1.326   4.575  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.561  -2.180   4.924  1.00  0.00           H  
HETATM   48  H   UNL     1       0.504  -0.266  -2.820  1.00  0.00           H  
HETATM   49  H   UNL     1       0.207  -0.040   0.112  1.00  0.00           H  
HETATM   50  H   UNL     1       1.805   1.865  -1.659  1.00  0.00           H  
HETATM   51  H   UNL     1       1.408   2.148   0.053  1.00  0.00           H  
HETATM   52  H   UNL     1       2.582   0.000   0.627  1.00  0.00           H  
HETATM   53  H   UNL     1       3.070  -0.147  -1.078  1.00  0.00           H  
HETATM   54  H   UNL     1       4.242   2.033  -0.931  1.00  0.00           H  
HETATM   55  H   UNL     1       3.754   2.180   0.774  1.00  0.00           H  
HETATM   56  H   UNL     1       5.096  -0.282   0.442  1.00  0.00           H  
HETATM   57  H   UNL     1       5.685   3.153   0.314  1.00  0.00           H  
HETATM   58  H   UNL     1       7.296   3.063   0.782  1.00  0.00           H  
HETATM   59  H   UNL     1       8.253   1.013   1.233  1.00  0.00           H  
HETATM   60  H   UNL     1       7.339  -0.389   1.093  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.405   3.921  -0.574  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.534   3.164   0.376  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.926   1.495   0.487  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.785   2.666   2.679  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.403   2.175   3.122  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.114   0.922   2.075  1.00  0.00           H  
HETATM   67  H   UNL     1       0.059   1.562   1.168  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.405   3.283   1.185  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.847   3.017  -3.653  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.495   4.962   1.788  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.192   4.550   2.930  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.882   4.521   1.177  1.00  0.00           H  
CONECT    1   11    2    2   15                                       
CONECT    1    3    3                                                 
CONECT    2    1    1                                                 
CONECT    3    1    1                                                 
CONECT    4    5   37   38   14                                       
CONECT    5    4   13   39    6                                       
CONECT    6    5   40   41    7                                       
CONECT    7    6    8   12   12                                       
CONECT    8    7   42    9    9                                       
CONECT    9    8    8   43   10                                       
CONECT   10    9   11   11   44                                       
CONECT   11    1   10   10   12                                       
CONECT   12   11    7    7   14                                       
CONECT   13    5   45   46   47                                       
CONECT   14   12    4   36                                            
CONECT   15    1   16   48                                            
CONECT   16   15   17   19   49                                       
CONECT   17   16   18   18   26                                       
CONECT   18   17   17                                                 
CONECT   19   16   20   50   51                                       
CONECT   20   19   21   52   53                                       
CONECT   21   20   22   54   55                                       
CONECT   22   21   23   56                                            
CONECT   23   22   24   25   25                                       
CONECT   24   23   57   58                                            
CONECT   25   23   23   59   60                                       
CONECT   26   17   27   31                                            
CONECT   27   26   28   32   61                                       
CONECT   28   27   29   62   63                                       
CONECT   29   28   30   35   64                                       
CONECT   30   29   31   65   66                                       
CONECT   31   26   30   67   68                                       
CONECT   32   27   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   69                                                 
CONECT   35   29   70   71   72                                       
CONECT   36   14                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
