COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.108  -0.520   2.697  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.133  -0.747   4.078  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.201  -0.800   4.666  1.00  0.00           O  
HETATM    4  O   UNL     1       0.014  -0.907   4.761  1.00  0.00           O  
HETATM    5  C   UNL     1       1.199  -0.858   4.142  1.00  0.00           C  
HETATM    6  C   UNL     1       1.285  -0.639   2.811  1.00  0.00           C  
HETATM    7  C   UNL     1       0.114  -0.462   2.050  1.00  0.00           C  
HETATM    8  O   UNL     1       0.181  -0.246   0.715  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.087   0.236   0.569  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.627   1.536   0.461  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.347   2.072  -0.781  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.524   1.310  -1.920  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.985   0.004  -1.815  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.261  -0.532  -0.564  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.391  -0.343   1.926  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.318   0.604   2.690  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.681   0.914   2.067  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.590   0.011   3.299  1.00  0.00           C  
HETATM   19  C   UNL     1       2.489  -1.061   4.891  1.00  0.00           C  
HETATM   20  C   UNL     1       3.127   0.239   5.286  1.00  0.00           C  
HETATM   21  C   UNL     1       3.897   1.002   4.228  1.00  0.00           C  
HETATM   22  C   UNL     1       2.929   1.679   3.241  1.00  0.00           C  
HETATM   23  C   UNL     1       2.990   0.894   1.904  1.00  0.00           C  
HETATM   24  C   UNL     1       2.649  -0.569   2.177  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.166  -0.768  -2.964  1.00  0.00           N  
HETATM   26  S   UNL     1      -1.503  -0.282  -4.402  1.00  0.00           S  
HETATM   27  O   UNL     1      -1.731  -1.349  -5.312  1.00  0.00           O  
HETATM   28  O   UNL     1      -1.927   1.061  -4.587  1.00  0.00           O  
HETATM   29  C   UNL     1       0.242  -0.207  -4.178  1.00  0.00           C  
HETATM   30  C   UNL     1       1.003  -1.355  -4.311  1.00  0.00           C  
HETATM   31  C   UNL     1       2.371  -1.303  -4.137  1.00  0.00           C  
HETATM   32  C   UNL     1       2.987  -0.089  -3.828  1.00  0.00           C  
HETATM   33  C   UNL     1       2.212   1.065  -3.696  1.00  0.00           C  
HETATM   34  C   UNL     1       0.846   1.000  -3.877  1.00  0.00           C  
HETATM   35  C   UNL     1       4.406  -0.028  -3.646  1.00  0.00           C  
HETATM   36  N   UNL     1       5.531   0.020  -3.501  1.00  0.00           N  
HETATM   37  H   UNL     1       1.119  -0.244   0.479  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.487   2.133   1.350  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.988   3.088  -0.862  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.305   1.730  -2.891  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.620  -1.547  -0.478  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.880  -1.310   1.807  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.822   1.404   3.239  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.082   1.917   2.207  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.917   0.442   1.113  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.767  -1.054   3.156  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.931   0.420   4.249  1.00  0.00           H  
HETATM   48  H   UNL     1       2.289  -1.643   5.790  1.00  0.00           H  
HETATM   49  H   UNL     1       3.183  -1.617   4.261  1.00  0.00           H  
HETATM   50  H   UNL     1       3.809   0.035   6.112  1.00  0.00           H  
HETATM   51  H   UNL     1       2.342   0.894   5.664  1.00  0.00           H  
HETATM   52  H   UNL     1       4.542   0.311   3.684  1.00  0.00           H  
HETATM   53  H   UNL     1       4.513   1.762   4.708  1.00  0.00           H  
HETATM   54  H   UNL     1       3.232   2.713   3.077  1.00  0.00           H  
HETATM   55  H   UNL     1       1.915   1.650   3.640  1.00  0.00           H  
HETATM   56  H   UNL     1       3.995   0.963   1.485  1.00  0.00           H  
HETATM   57  H   UNL     1       2.270   1.313   1.201  1.00  0.00           H  
HETATM   58  H   UNL     1       3.389  -0.996   2.854  1.00  0.00           H  
HETATM   59  H   UNL     1       2.645  -1.124   1.240  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.679  -1.590  -2.920  1.00  0.00           H  
HETATM   61  H   UNL     1       0.525  -2.293  -4.550  1.00  0.00           H  
HETATM   62  H   UNL     1       2.964  -2.200  -4.240  1.00  0.00           H  
HETATM   63  H   UNL     1       2.682   2.008  -3.457  1.00  0.00           H  
HETATM   64  H   UNL     1       0.246   1.892  -3.776  1.00  0.00           H  
CONECT    1    2    7    7   15                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5                                                 
CONECT    5    4    6    6   19                                       
CONECT    6    5    5    7   24                                       
CONECT    7    1    1    6    8                                       
CONECT    8    7   37                                                 
CONECT    9   10   10   14   15                                       
CONECT   10    9    9   11   38                                       
CONECT   11   10   12   12   39                                       
CONECT   12   11   11   13   40                                       
CONECT   13   12   14   14   25                                       
CONECT   14    9   13   13   41                                       
CONECT   15    1    9   16   42                                       
CONECT   16   15   17   18   43                                       
CONECT   17   16   18   44   45                                       
CONECT   18   16   17   46   47                                       
CONECT   19    5   20   48   49                                       
CONECT   20   19   21   50   51                                       
CONECT   21   20   22   52   53                                       
CONECT   22   21   23   54   55                                       
CONECT   23   22   24   56   57                                       
CONECT   24    6   23   58   59                                       
CONECT   25   13   26   60                                            
CONECT   26   25   27   27   28                                       
CONECT   26   28   29                                                 
CONECT   27   26   26                                                 
CONECT   28   26   26                                                 
CONECT   29   26   30   30   34                                       
CONECT   30   29   29   31   61                                       
CONECT   31   30   32   32   62                                       
CONECT   32   31   31   33   35                                       
CONECT   33   32   34   34   63                                       
CONECT   34   29   33   33   64                                       
CONECT   35   32   36   36   36                                       
CONECT   36   35   35   35                                            
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   30                                                      
CONECT   62   31                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
