COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   1      -0.984  -0.194   7.051  1.00  0.00           C  
HETATM    2  C   UNK A   1      -0.459   0.495   5.818  1.00  0.00           C  
HETATM    3  C   UNK A   1      -0.640  -0.420   4.606  1.00  0.00           C  
HETATM    4  C   UNK A   1      -0.107   0.279   3.354  1.00  0.00           C  
HETATM    5  C   UNK A   1      -0.288  -0.636   2.142  1.00  0.00           C  
HETATM    6  C   UNK A   1       0.235   0.053   0.909  1.00  0.00           C  
HETATM    7  N   UNK A   1       0.180  -0.567  -0.285  1.00  0.00           N  
HETATM    8  C   UNK A   1       0.690   0.102  -1.484  1.00  0.00           C  
HETATM    9  C   UNK A   1      -0.082  -0.367  -2.689  1.00  0.00           C  
HETATM   10  N   UNK A   1       0.966   0.797   5.995  1.00  0.00           N  
HETATM   11  O   UNK A   1       0.707   1.168   0.991  1.00  0.00           O  
HETATM   12  C   UNK A   1       2.172  -0.233  -1.665  1.00  0.00           C  
HETATM   13  S   UNK A   1       3.102   0.332  -0.214  1.00  0.00           S  
HETATM   14  O   UNK A   1      -0.971  -1.182  -2.560  1.00  0.00           O  
HETATM   15  O   UNK A   1      -0.248  -0.883   7.717  1.00  0.00           O  
HETATM   16  O   UNK A   1      -2.268  -0.042   7.410  1.00  0.00           O  
HETATM   17  N   UNK A   2       0.214   0.117  -3.911  1.00  0.00           N  
HETATM   18  C   UNK A   2      -0.537  -0.339  -5.083  1.00  0.00           C  
HETATM   19  C   UNK A   2      -1.730   0.555  -5.294  1.00  0.00           C  
HETATM   20  C   UNK A   2       0.350  -0.288  -6.300  1.00  0.00           C  
HETATM   21  C   UNK A   2       0.600  -1.383  -6.974  1.00  0.00           C  
HETATM   22  O   UNK A   2      -2.736   0.113  -5.797  1.00  0.00           O  
HETATM   23  O   UNK A   2      -1.676   1.845  -4.925  1.00  0.00           O  
HETATM   24  H   UNK A   1      -1.010   1.422   5.659  1.00  0.00           H  
HETATM   25  H   UNK A   1      -0.089  -1.347   4.766  1.00  0.00           H  
HETATM   26  H   UNK A   1      -1.698  -0.644   4.475  1.00  0.00           H  
HETATM   27  H   UNK A   1      -0.658   1.206   3.194  1.00  0.00           H  
HETATM   28  H   UNK A   1       0.950   0.504   3.486  1.00  0.00           H  
HETATM   29  H   UNK A   1       0.262  -1.563   2.302  1.00  0.00           H  
HETATM   30  H   UNK A   1      -1.346  -0.860   2.010  1.00  0.00           H  
HETATM   31  H   UNK A   1      -0.196  -1.459  -0.351  1.00  0.00           H  
HETATM   32  H   UNK A   1       0.573   1.180  -1.375  1.00  0.00           H  
HETATM   33  H   UNK A   1       1.434  -0.084   6.139  1.00  0.00           H  
HETATM   34  H   UNK A   1       1.298   1.161   5.114  1.00  0.00           H  
HETATM   35  H   UNK A   1       2.289  -1.311  -1.774  1.00  0.00           H  
HETATM   36  H   UNK A   1       2.551   0.265  -2.557  1.00  0.00           H  
HETATM   37  H   UNK A   1       4.342  -0.049  -0.568  1.00  0.00           H  
HETATM   38  H   UNK A   1      -2.604  -0.484   8.202  1.00  0.00           H  
HETATM   39  H   UNK A   2       0.925   0.769  -4.015  1.00  0.00           H  
HETATM   40  H   UNK A   2      -0.874  -1.363  -4.921  1.00  0.00           H  
HETATM   41  H   UNK A   2       0.781   0.650  -6.615  1.00  0.00           H  
HETATM   42  H   UNK A   2       0.169  -2.322  -6.658  1.00  0.00           H  
HETATM   43  H   UNK A   2       1.236  -1.347  -7.846  1.00  0.00           H  
HETATM   44  H   UNK A   2      -2.442   2.419  -5.060  1.00  0.00           H  
CONECT    1    2   15   15   16                                       
CONECT    2    1    3   10   24                                       
CONECT    3    2    4   25   26                                       
CONECT    4    3    5   27   28                                       
CONECT    5    4    6   29   30                                       
CONECT    6    5    7   11   11                                       
CONECT    7    6    8   31                                            
CONECT    8    7    9   12   32                                       
CONECT    9    8   14   14   17                                       
CONECT   10    2   33   34                                            
CONECT   11    6    6                                                 
CONECT   12    8   13   35   36                                       
CONECT   13   12   37                                                 
CONECT   14    9    9                                                 
CONECT   15    1    1                                                 
CONECT   16    1   38                                                 
CONECT   17    9   18   39                                            
CONECT   18   17   19   20   40                                       
CONECT   19   18   22   22   23                                       
CONECT   20   18   21   21   41                                       
CONECT   21   20   20   42   43                                       
CONECT   22   19   19                                                 
CONECT   23   19   44                                                 
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   23                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
