COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.963  -2.794   1.325  1.00  0.00           C  
HETATM    2  O   UNL     1       1.516  -1.723   0.491  1.00  0.00           O  
HETATM    3  C   UNL     1       1.385  -0.573   1.330  1.00  0.00           C  
HETATM    4  C   UNL     1       0.907   0.615   0.494  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.443   0.347  -0.009  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.515   0.622   0.760  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.904   0.346   0.244  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.888   0.727   1.260  1.00  0.00           N  
HETATM    9  S   UNL     1      -5.346   1.365   0.802  1.00  0.00           S  
HETATM   10  C   UNL     1      -6.137  -0.006  -0.084  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.496   0.428  -0.570  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.631   1.007  -1.818  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.877   1.405  -2.264  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.989   1.223  -1.462  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.854   0.643  -0.215  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.608   0.241   0.230  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.982   1.621   2.046  1.00  0.00           O  
HETATM   18  O   UNL     1      -4.968   2.411  -0.083  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.045  -1.145  -0.068  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.706  -1.909   1.091  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.363   1.091   1.868  1.00  0.00           O  
HETATM   22  C   UNL     1       1.844   0.822  -0.668  1.00  0.00           C  
HETATM   23  O   UNL     1       1.425   0.752  -1.805  1.00  0.00           O  
HETATM   24  N   UNL     1       3.147   1.085  -0.445  1.00  0.00           N  
HETATM   25  C   UNL     1       4.057   1.285  -1.575  1.00  0.00           C  
HETATM   26  C   UNL     1       5.446   1.561  -1.058  1.00  0.00           C  
HETATM   27  C   UNL     1       6.320   0.512  -0.838  1.00  0.00           C  
HETATM   28  C   UNL     1       7.593   0.758  -0.365  1.00  0.00           C  
HETATM   29  C   UNL     1       7.997   2.068  -0.109  1.00  0.00           C  
HETATM   30  C   UNL     1       7.109   3.121  -0.327  1.00  0.00           C  
HETATM   31  C   UNL     1       5.841   2.863  -0.806  1.00  0.00           C  
HETATM   32  C   UNL     1       9.362   2.339   0.398  1.00  0.00           C  
HETATM   33  N   UNL     1      10.187   1.353   0.606  1.00  0.00           N  
HETATM   34  N   UNL     1       9.758   3.634   0.650  1.00  0.00           N  
HETATM   35  C   UNL     1       2.121  -4.043   0.497  1.00  0.00           C  
HETATM   36  C   UNL     1       3.331  -4.320  -0.112  1.00  0.00           C  
HETATM   37  C   UNL     1       3.476  -5.466  -0.871  1.00  0.00           C  
HETATM   38  C   UNL     1       2.412  -6.335  -1.021  1.00  0.00           C  
HETATM   39  C   UNL     1       1.203  -6.059  -0.411  1.00  0.00           C  
HETATM   40  C   UNL     1       1.059  -4.915   0.352  1.00  0.00           C  
HETATM   41  H   UNL     1       2.922  -2.530   1.772  1.00  0.00           H  
HETATM   42  H   UNL     1       1.231  -2.971   2.114  1.00  0.00           H  
HETATM   43  H   UNL     1       2.352  -0.338   1.776  1.00  0.00           H  
HETATM   44  H   UNL     1       0.661  -0.779   2.118  1.00  0.00           H  
HETATM   45  H   UNL     1       0.893   1.512   1.113  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.565  -0.028  -0.895  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.075   0.925  -0.664  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.685   0.606   2.201  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.520  -0.292  -0.936  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.246  -0.857   0.588  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.763   1.149  -2.444  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.983   1.858  -3.239  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.963   1.534  -1.810  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.722   0.501   0.412  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.502  -0.212   1.204  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.074  -1.360  -0.357  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.375  -1.410  -0.886  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.808  -2.840   0.852  1.00  0.00           H  
HETATM   59  H   UNL     1       3.481   1.140   0.463  1.00  0.00           H  
HETATM   60  H   UNL     1       3.716   2.132  -2.171  1.00  0.00           H  
HETATM   61  H   UNL     1       4.072   0.388  -2.194  1.00  0.00           H  
HETATM   62  H   UNL     1       6.006  -0.502  -1.037  1.00  0.00           H  
HETATM   63  H   UNL     1       8.275  -0.062  -0.194  1.00  0.00           H  
HETATM   64  H   UNL     1       7.416   4.138  -0.130  1.00  0.00           H  
HETATM   65  H   UNL     1       5.154   3.678  -0.979  1.00  0.00           H  
HETATM   66  H   UNL     1       9.908   0.442   0.429  1.00  0.00           H  
HETATM   67  H   UNL     1      10.652   3.812   0.983  1.00  0.00           H  
HETATM   68  H   UNL     1       9.145   4.369   0.492  1.00  0.00           H  
HETATM   69  H   UNL     1       4.162  -3.641   0.005  1.00  0.00           H  
HETATM   70  H   UNL     1       4.421  -5.682  -1.348  1.00  0.00           H  
HETATM   71  H   UNL     1       2.525  -7.230  -1.615  1.00  0.00           H  
HETATM   72  H   UNL     1       0.371  -6.738  -0.528  1.00  0.00           H  
HETATM   73  H   UNL     1       0.114  -4.699   0.829  1.00  0.00           H  
CONECT    1    2   35   41   42                                       
CONECT    2    1    3                                                 
CONECT    3    2    4   43   44                                       
CONECT    4    3    5   22   45                                       
CONECT    5    4    6   46                                            
CONECT    6    5    7   21   21                                       
CONECT    7    6    8   19   47                                       
CONECT    8    7    9   48                                            
CONECT    9    8   10   17   17                                       
CONECT    9   18   18                                                 
CONECT   10    9   11   49   50                                       
CONECT   11   10   12   12   16                                       
CONECT   12   11   11   13   51                                       
CONECT   13   12   14   14   52                                       
CONECT   14   13   13   15   53                                       
CONECT   15   14   16   16   54                                       
CONECT   16   11   15   15   55                                       
CONECT   17    9    9                                                 
CONECT   18    9    9                                                 
CONECT   19    7   20   56   57                                       
CONECT   20   19   58                                                 
CONECT   21    6    6                                                 
CONECT   22    4   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   59                                            
CONECT   25   24   26   60   61                                       
CONECT   26   25   27   27   31                                       
CONECT   27   26   26   28   62                                       
CONECT   28   27   29   29   63                                       
CONECT   29   28   28   30   32                                       
CONECT   30   29   31   31   64                                       
CONECT   31   26   30   30   65                                       
CONECT   32   29   33   33   34                                       
CONECT   33   32   32   66                                            
CONECT   34   32   67   68                                            
CONECT   35    1   36   36   40                                       
CONECT   36   35   35   37   69                                       
CONECT   37   36   38   38   70                                       
CONECT   38   37   37   39   71                                       
CONECT   39   38   40   40   72                                       
CONECT   40   35   39   39   73                                       
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
CONECT   73   40                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
