COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.809   0.071   0.845  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.812   1.536   2.605  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.629   2.577   0.456  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.791   1.962  -1.112  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.475   2.240  -3.532  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.942   0.998  -3.140  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.599   0.854  -1.935  1.00  0.00           C  
HETATM    8  C   UNL     1       1.928  -1.393  -0.119  1.00  0.00           C  
HETATM    9  C   UNL     1       0.203  -3.477  -0.530  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.515  -5.249  -0.909  1.00  0.00           C  
HETATM   11  C   UNL     1       5.963   2.412  -0.834  1.00  0.00           C  
HETATM   12  C   UNL     1       5.532   1.407   0.236  1.00  0.00           C  
HETATM   13  C   UNL     1       6.291   1.688   1.535  1.00  0.00           C  
HETATM   14  C   UNL     1       4.051   1.538   0.481  1.00  0.00           C  
HETATM   15  N   UNL     1       3.403   2.640   0.907  1.00  0.00           N  
HETATM   16  N   UNL     1       2.138   2.438   1.020  1.00  0.00           N  
HETATM   17  C   UNL     1       1.832   1.205   0.687  1.00  0.00           C  
HETATM   18  C   UNL     1       0.621   0.390   0.606  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.612   0.910   0.935  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.030   0.905   1.134  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.690   0.771   2.339  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.281   2.434   1.665  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.496   1.813   0.185  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.314   3.210  -1.509  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.658   3.342  -2.717  1.00  0.00           C  
HETATM   26  N   UNL     1       0.749  -0.866   0.205  1.00  0.00           N  
HETATM   27  S   UNL     1       1.963  -3.074  -0.645  1.00  0.00           S  
HETATM   28  C   UNL     1      -0.035  -4.891  -1.065  1.00  0.00           C  
HETATM   29  N   UNL     1      -1.891  -5.173   0.509  1.00  0.00           N  
HETATM   30  C   UNL     1      -1.717  -3.811   1.032  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.243  -3.411   0.934  1.00  0.00           C  
HETATM   32  N   UNL     1       3.067  -0.736  -0.076  1.00  0.00           N  
HETATM   33  C   UNL     1       3.103   0.556   0.313  1.00  0.00           C  
HETATM   34  H   UNL     1      -1.885  -0.348  -0.159  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.741  -0.738   1.572  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.325   1.427   3.549  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.997   3.279  -0.277  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.961   2.348  -4.476  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.797   0.141  -3.781  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.963  -0.116  -1.630  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.374  -2.763  -1.118  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.121  -4.548  -1.483  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.685  -6.261  -1.276  1.00  0.00           H  
HETATM   44  H   UNL     1       5.739   3.423  -0.494  1.00  0.00           H  
HETATM   45  H   UNL     1       7.034   2.317  -1.012  1.00  0.00           H  
HETATM   46  H   UNL     1       5.422   2.211  -1.759  1.00  0.00           H  
HETATM   47  H   UNL     1       5.756   0.396  -0.104  1.00  0.00           H  
HETATM   48  H   UNL     1       6.067   2.699   1.875  1.00  0.00           H  
HETATM   49  H   UNL     1       5.984   0.972   2.297  1.00  0.00           H  
HETATM   50  H   UNL     1       7.362   1.593   1.357  1.00  0.00           H  
HETATM   51  H   UNL     1       3.838   3.484   1.105  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.687   1.832   1.226  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.330   0.067   3.075  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.160   3.026   1.876  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.457   4.071  -0.874  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.291   4.310  -3.027  1.00  0.00           H  
HETATM   57  H   UNL     1       0.240  -4.932  -2.119  1.00  0.00           H  
HETATM   58  H   UNL     1       0.572  -5.600  -0.502  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.836  -5.496   0.650  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.322  -3.117   0.449  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.032  -3.780   2.075  1.00  0.00           H  
HETATM   62  H   UNL     1       0.361  -4.096   1.529  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.116  -2.394   1.307  1.00  0.00           H  
CONECT    1   20   19   34   35                                       
CONECT    2   22   22   21   36                                       
CONECT    3   23   23   22   37                                       
CONECT    4   24   24    7   23                                       
CONECT    5   25   25    6   38                                       
CONECT    6    5    7    7   39                                       
CONECT    7    6    6    4   40                                       
CONECT    8   27   26   32   32                                       
CONECT    9   28   31   27   41                                       
CONECT   10   29   28   42   43                                       
CONECT   11   12   44   45   46                                       
CONECT   12   11   13   14   47                                       
CONECT   13   12   48   49   50                                       
CONECT   14   33   33   12   15                                       
CONECT   15   14   16   51                                            
CONECT   16   17   17   15                                            
CONECT   17   18   33   16   16                                       
CONECT   18   26   26   19   17                                       
CONECT   19    1   18   52                                            
CONECT   20   23    1   21   21                                       
CONECT   21   20   20    2   53                                       
CONECT   22    3    2    2   54                                       
CONECT   23    4    3    3   20                                       
CONECT   24   25    4    4   55                                       
CONECT   25    5    5   24   56                                       
CONECT   26    8   18   18                                            
CONECT   27    9    8                                                 
CONECT   28   10    9   57   58                                       
CONECT   29   10   30   59                                            
CONECT   30   29   31   60   61                                       
CONECT   31   30    9   62   63                                       
CONECT   32    8    8   33                                            
CONECT   33   32   17   14   14                                       
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   15                                                      
CONECT   52   19                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   28                                                      
CONECT   58   28                                                      
CONECT   59   29                                                      
CONECT   60   30                                                      
CONECT   61   30                                                      
CONECT   62   31                                                      
CONECT   63   31                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
