COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.707  -0.154  -0.098  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.884   4.218  -1.153  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.266   2.199   0.263  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.100   5.526  -1.283  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.565   5.465  -1.721  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.623   0.110   1.663  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.118  -4.233  -0.001  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.609   2.148   0.593  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.330   0.986   0.424  1.00  0.00           C  
HETATM   10  C   UNL     1       4.720  -1.281  -0.877  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.488  -2.793  -0.357  1.00  0.00           C  
HETATM   12  C   UNL     1       5.795  -0.422  -0.621  1.00  0.00           C  
HETATM   13  C   UNL     1       1.192  -1.769   0.280  1.00  0.00           C  
HETATM   14  C   UNL     1       0.461  -3.076   0.317  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.908  -3.088   0.122  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.617  -4.273   0.185  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.952  -5.461   0.405  1.00  0.00           C  
HETATM   18  C   UNL     1       0.421  -5.456   0.581  1.00  0.00           C  
HETATM   19  C   UNL     1       1.126  -4.265   0.544  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.184   1.102  -0.627  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.454   0.122   0.208  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.647   1.086  -0.269  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.381  -0.073  -0.470  1.00  0.00           C  
HETATM   24  N   UNL     1      -5.486  -1.315  -0.211  1.00  0.00           N  
HETATM   25  S   UNL     1      -2.360   3.690   0.515  1.00  0.00           S  
HETATM   26  O   UNL     1      -1.217   3.284   1.256  1.00  0.00           O  
HETATM   27  O   UNL     1      -3.312   4.588   1.070  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.961  -2.550  -0.354  1.00  0.00           C  
HETATM   29  O   UNL     1      -5.716  -3.491  -0.481  1.00  0.00           O  
HETATM   30  N   UNL     1       2.458  -1.953  -0.444  1.00  0.00           N  
HETATM   31  C   UNL     1       3.534  -1.102  -0.194  1.00  0.00           C  
HETATM   32  C   UNL     1       3.402  -0.076   0.749  1.00  0.00           C  
HETATM   33  C   UNL     1       4.435   0.769   1.014  1.00  0.00           C  
HETATM   34  C   UNL     1       5.654   0.612   0.340  1.00  0.00           C  
HETATM   35  C   UNL     1       6.754   1.463   0.580  1.00  0.00           C  
HETATM   36  N   UNL     1       7.883   1.277  -0.079  1.00  0.00           N  
HETATM   37  C   UNL     1       8.038   0.309  -0.974  1.00  0.00           C  
HETATM   38  C   UNL     1       7.030  -0.548  -1.289  1.00  0.00           C  
HETATM   39  N   UNL     1       6.650   2.490   1.502  1.00  0.00           N  
HETATM   40  C   UNL     1       0.367  -0.739  -0.445  1.00  0.00           C  
HETATM   41  O   UNL     1       0.445  -0.678  -1.662  1.00  0.00           O  
HETATM   42  H   UNL     1      -1.642   3.415  -1.850  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.870   6.068  -0.366  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.342   5.583  -2.065  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.771   5.483  -2.791  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.299   5.969  -1.092  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.389  -0.616   1.934  1.00  0.00           H  
HETATM   48  H   UNL     1       0.320  -0.164   2.136  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.925   1.101   2.002  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.609  -4.526   0.923  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.402  -4.901  -0.809  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.094   3.033   0.981  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.378   0.953   0.684  1.00  0.00           H  
HETATM   54  H   UNL     1       4.816  -2.072  -1.607  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.034  -2.133   0.391  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.083  -2.564  -1.345  1.00  0.00           H  
HETATM   57  H   UNL     1       1.421  -1.447   1.293  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.409  -2.157  -0.096  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.498  -6.393   0.436  1.00  0.00           H  
HETATM   60  H   UNL     1       0.943  -6.387   0.747  1.00  0.00           H  
HETATM   61  H   UNL     1       2.194  -4.275   0.698  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.763   2.092  -0.462  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.069   0.833  -1.678  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.889  -0.894  -0.968  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.457  -1.227  -0.183  1.00  0.00           H  
HETATM   66  H   UNL     1       2.545  -2.666  -1.096  1.00  0.00           H  
HETATM   67  H   UNL     1       2.466   0.047   1.273  1.00  0.00           H  
HETATM   68  H   UNL     1       4.318   1.556   1.744  1.00  0.00           H  
HETATM   69  H   UNL     1       8.987   0.210  -1.479  1.00  0.00           H  
HETATM   70  H   UNL     1       7.179  -1.322  -2.027  1.00  0.00           H  
HETATM   71  H   UNL     1       5.820   2.626   1.985  1.00  0.00           H  
HETATM   72  H   UNL     1       7.407   3.074   1.666  1.00  0.00           H  
CONECT    1    9   24   23   23                                       
CONECT    2    5   25    4   42                                       
CONECT    3    8   25   22   22                                       
CONECT    4    5    2   43   44                                       
CONECT    5    2    4   45   46                                       
CONECT    6   21   47   48   49                                       
CONECT    7   11   16   50   51                                       
CONECT    8    9    9    3   52                                       
CONECT    9    8    8    1   53                                       
CONECT   10   31   12   12   54                                       
CONECT   11   28    7   55   56                                       
CONECT   12   10   10   34   38                                       
CONECT   13   40   30   14   57                                       
CONECT   14   15   13   19   19                                       
CONECT   15   16   16   14   58                                       
CONECT   16    7   15   15   17                                       
CONECT   17   16   18   18   59                                       
CONECT   18   17   17   19   60                                       
CONECT   19   14   14   18   61                                       
CONECT   20   22   21   62   63                                       
CONECT   21   20   40    6                                            
CONECT   22    3    3   23   20                                       
CONECT   23    1    1   22   64                                       
CONECT   24    1   28   65                                            
CONECT   25   27   27    2    3                                       
CONECT   25   26   26                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   24   11   29   29                                       
CONECT   29   28   28                                                 
CONECT   30   13   31   66                                            
CONECT   31   30   32   32   10                                       
CONECT   32   31   31   33   67                                       
CONECT   33   32   34   34   68                                       
CONECT   34   33   33   12   35                                       
CONECT   35   34   39   36   36                                       
CONECT   36   35   35   37                                            
CONECT   37   38   38   36   69                                       
CONECT   38   12   37   37   70                                       
CONECT   39   35   71   72                                            
CONECT   40   41   41   21   13                                       
CONECT   41   40   40                                                 
CONECT   42    2                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   13                                                      
CONECT   58   15                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   30                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   37                                                      
CONECT   70   38                                                      
CONECT   71   39                                                      
CONECT   72   39                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
