COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.776   2.536  -0.455  1.00  0.00           C  
HETATM    2  C   UNL     1       9.552   2.101   0.353  1.00  0.00           C  
HETATM    3  O   UNL     1       0.969  -2.823   1.254  1.00  0.00           O  
HETATM    4  C   UNL     1       6.542  -0.115  -0.572  1.00  0.00           C  
HETATM    5  C   UNL     1       5.317  -0.549   0.236  1.00  0.00           C  
HETATM    6  C   UNL     1       4.424  -1.440  -0.631  1.00  0.00           C  
HETATM    7  C   UNL     1       3.200  -1.875   0.177  1.00  0.00           C  
HETATM    8  N   UNL     1       0.170  -3.988  -0.456  1.00  0.00           N  
HETATM    9  C   UNL     1       7.435   0.776   0.294  1.00  0.00           C  
HETATM   10  C   UNL     1       8.659   1.211  -0.514  1.00  0.00           C  
HETATM   11  S   UNL     1      -1.156  -4.458   0.418  1.00  0.00           S  
HETATM   12  N   UNL     1      -2.444   1.991   0.047  1.00  0.00           N  
HETATM   13  O   UNL     1      -1.952  -5.249  -0.454  1.00  0.00           O  
HETATM   14  N   UNL     1      -0.684   3.172  -0.473  1.00  0.00           N  
HETATM   15  O   UNL     1      -0.666  -4.931   1.665  1.00  0.00           O  
HETATM   16  N   UNL     1      -3.802   3.925   0.850  1.00  0.00           N  
HETATM   17  O   UNL     1      -1.964  -3.205   0.721  1.00  0.00           O  
HETATM   18  N   UNL     1      -2.738   5.973   0.721  1.00  0.00           N  
HETATM   19  O   UNL     1      -2.550  -0.377   0.341  1.00  0.00           O  
HETATM   20  N   UNL     1      -0.544   6.221  -0.108  1.00  0.00           N  
HETATM   21  O   UNL     1      -5.503   1.192  -0.824  1.00  0.00           O  
HETATM   22  O   UNL     1      -5.657  -1.339  -1.058  1.00  0.00           O  
HETATM   23  C   UNL     1       2.307  -2.765  -0.689  1.00  0.00           C  
HETATM   24  C   UNL     1       1.101  -3.193   0.107  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.694  -2.700  -0.399  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.465  -1.446   0.019  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.299  -0.908  -1.165  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.206   0.627  -1.023  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.326   0.836   0.229  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.744   3.296   0.348  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.603   4.043   0.008  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.174   1.967  -0.446  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.785   5.229   1.027  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.635   5.433   0.212  1.00  0.00           C  
HETATM   35  H   UNL     1      11.412   3.170   0.162  1.00  0.00           H  
HETATM   36  H   UNL     1      11.336   1.655  -0.768  1.00  0.00           H  
HETATM   37  H   UNL     1      10.452   3.092  -1.334  1.00  0.00           H  
HETATM   38  H   UNL     1       9.876   1.545   1.232  1.00  0.00           H  
HETATM   39  H   UNL     1       8.992   2.982   0.666  1.00  0.00           H  
HETATM   40  H   UNL     1       7.102  -0.996  -0.886  1.00  0.00           H  
HETATM   41  H   UNL     1       6.218   0.442  -1.452  1.00  0.00           H  
HETATM   42  H   UNL     1       5.641  -1.106   1.115  1.00  0.00           H  
HETATM   43  H   UNL     1       4.757   0.332   0.549  1.00  0.00           H  
HETATM   44  H   UNL     1       4.100  -0.883  -1.510  1.00  0.00           H  
HETATM   45  H   UNL     1       4.984  -2.321  -0.944  1.00  0.00           H  
HETATM   46  H   UNL     1       3.524  -2.431   1.057  1.00  0.00           H  
HETATM   47  H   UNL     1       2.640  -0.993   0.491  1.00  0.00           H  
HETATM   48  H   UNL     1       0.275  -4.284  -1.374  1.00  0.00           H  
HETATM   49  H   UNL     1       6.874   1.657   0.608  1.00  0.00           H  
HETATM   50  H   UNL     1       7.758   0.220   1.174  1.00  0.00           H  
HETATM   51  H   UNL     1       8.335   1.767  -1.393  1.00  0.00           H  
HETATM   52  H   UNL     1       9.219   0.330  -0.827  1.00  0.00           H  
HETATM   53  H   UNL     1       0.256   5.815  -0.479  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.578   7.180   0.037  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.116   1.038  -1.556  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.226  -1.030  -1.776  1.00  0.00           H  
HETATM   57  H   UNL     1       1.983  -2.208  -1.569  1.00  0.00           H  
HETATM   58  H   UNL     1       2.867  -3.646  -1.003  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.001  -2.449  -1.202  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.395  -3.458  -0.748  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.109  -1.664   0.871  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.870  -1.233  -2.113  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.731   1.064  -1.902  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.949   0.970   1.114  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.653   1.079  -0.773  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.661   5.709   1.437  1.00  0.00           H  
CONECT    1    2   35   36   37                                       
CONECT    2    1   10   38   39                                       
CONECT    3   24   24                                                 
CONECT    4    9    5   40   41                                       
CONECT    5    4    6   42   43                                       
CONECT    6    7    5   44   45                                       
CONECT    7   23    6   46   47                                       
CONECT    8   24   11   48                                            
CONECT    9   10    4   49   50                                       
CONECT   10    2    9   51   52                                       
CONECT   11   13   13    8   15                                       
CONECT   11   15   17                                                 
CONECT   12   32   29   30                                            
CONECT   13   11   11                                                 
CONECT   14   32   32   31                                            
CONECT   15   11   11                                                 
CONECT   16   30   30   33                                            
CONECT   17   11   25                                                 
CONECT   18   34   33   33                                            
CONECT   19   26   29                                                 
CONECT   20   34   53   54                                            
CONECT   21   28   55                                                 
CONECT   22   27   56                                                 
CONECT   23    7   24   57   58                                       
CONECT   24   23    8    3    3                                       
CONECT   25   17   26   59   60                                       
CONECT   26   25   19   27   61                                       
CONECT   27   26   22   28   62                                       
CONECT   28   27   29   21   63                                       
CONECT   29   19   12   28   64                                       
CONECT   30   12   31   16   16                                       
CONECT   31   14   34   34   30                                       
CONECT   32   14   14   12   65                                       
CONECT   33   18   18   16   66                                       
CONECT   34   31   31   20   18                                       
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
