COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.006   5.603   0.730  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.710   5.918   0.217  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.578   4.449   0.296  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.903   3.634  -0.601  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.486   2.461  -1.040  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.742   2.100  -0.587  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.417   2.911   0.306  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.835   4.082   0.753  1.00  0.00           C  
HETATM    9  S   UNL     1      -4.483   0.604  -1.150  1.00  0.00           S  
HETATM   10  O   UNL     1      -5.886   0.767  -0.991  1.00  0.00           O  
HETATM   11  O   UNL     1      -3.873   0.297  -2.396  1.00  0.00           O  
HETATM   12  N   UNL     1      -4.030  -0.593  -0.100  1.00  0.00           N  
HETATM   13  C   UNL     1      -4.851  -0.885   1.078  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.839  -2.005   0.746  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.069  -3.298   0.468  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.784  -2.219   1.931  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.807  -1.361  -0.348  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.643  -0.727   0.415  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.878  -0.835   1.820  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.343  -1.452   0.058  1.00  0.00           C  
HETATM   21  N   UNL     1       0.787  -0.771   0.694  1.00  0.00           N  
HETATM   22  C   UNL     1       2.022  -0.876   0.165  1.00  0.00           C  
HETATM   23  O   UNL     1       2.198  -1.536  -0.840  1.00  0.00           O  
HETATM   24  O   UNL     1       3.060  -0.250   0.749  1.00  0.00           O  
HETATM   25  C   UNL     1       4.362  -0.408   0.125  1.00  0.00           C  
HETATM   26  C   UNL     1       4.620   0.725  -0.899  1.00  0.00           C  
HETATM   27  C   UNL     1       6.156   0.797  -1.008  1.00  0.00           C  
HETATM   28  O   UNL     1       6.574   2.192  -0.994  1.00  0.00           O  
HETATM   29  C   UNL     1       7.260   2.444   0.126  1.00  0.00           C  
HETATM   30  O   UNL     1       7.724   3.537   0.387  1.00  0.00           O  
HETATM   31  N   UNL     1       7.390   1.383   0.933  1.00  0.00           N  
HETATM   32  C   UNL     1       6.716   0.205   0.308  1.00  0.00           C  
HETATM   33  C   UNL     1       5.496  -0.200   1.158  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.413  -2.897   0.555  1.00  0.00           C  
HETATM   35  C   UNL     1       0.801  -4.316  -1.111  1.00  0.00           C  
HETATM   36  C   UNL     1       1.925  -5.003  -1.531  1.00  0.00           C  
HETATM   37  C   UNL     1       3.058  -5.024  -0.739  1.00  0.00           C  
HETATM   38  C   UNL     1       3.067  -4.358   0.472  1.00  0.00           C  
HETATM   39  C   UNL     1       1.943  -3.671   0.892  1.00  0.00           C  
HETATM   40  C   UNL     1       0.812  -3.646   0.098  1.00  0.00           C  
HETATM   41  H   UNL     1      -0.370   6.862   0.643  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.011   5.126   0.485  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.761   6.006  -0.868  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.923   3.915  -0.956  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.961   1.826  -1.738  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.398   2.627   0.658  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.361   4.713   1.454  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.208  -1.199   1.901  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.401   0.011   1.368  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.418  -1.730  -0.135  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.773  -4.124   0.363  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.497  -3.188  -0.453  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.390  -3.502   1.296  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.332  -1.298   2.129  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.488  -3.017   1.694  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.205  -2.494   2.812  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.947  -2.388  -0.009  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.587  -1.359  -1.416  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.559   0.325   0.140  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.964  -1.745   2.135  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.209  -1.446  -1.024  1.00  0.00           H  
HETATM   62  H   UNL     1       0.646  -0.244   1.496  1.00  0.00           H  
HETATM   63  H   UNL     1       4.444  -1.385  -0.352  1.00  0.00           H  
HETATM   64  H   UNL     1       4.181   0.474  -1.864  1.00  0.00           H  
HETATM   65  H   UNL     1       4.217   1.669  -0.532  1.00  0.00           H  
HETATM   66  H   UNL     1       6.528   0.269  -1.886  1.00  0.00           H  
HETATM   67  H   UNL     1       7.854   1.376   1.785  1.00  0.00           H  
HETATM   68  H   UNL     1       7.402  -0.630   0.164  1.00  0.00           H  
HETATM   69  H   UNL     1       5.222   0.606   1.840  1.00  0.00           H  
HETATM   70  H   UNL     1       5.704  -1.115   1.712  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.458  -2.905   1.644  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.304  -3.378   0.152  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.084  -4.300  -1.730  1.00  0.00           H  
HETATM   74  H   UNL     1       1.918  -5.523  -2.477  1.00  0.00           H  
HETATM   75  H   UNL     1       3.936  -5.561  -1.067  1.00  0.00           H  
HETATM   76  H   UNL     1       3.952  -4.375   1.092  1.00  0.00           H  
HETATM   77  H   UNL     1       1.950  -3.151   1.839  1.00  0.00           H  
CONECT    1    3    2                                                 
CONECT    2    1   41   42   43                                       
CONECT    3    4    4    1    8                                       
CONECT    4    3    3    5   44                                       
CONECT    5    4    6    6   45                                       
CONECT    6    5    5    7    9                                       
CONECT    7    8    8    6   46                                       
CONECT    8    3    7    7   47                                       
CONECT    9   10   10    6   11                                       
CONECT    9   11   12                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12    9   17   13                                            
CONECT   13   12   14   48   49                                       
CONECT   14   13   15   16   50                                       
CONECT   15   14   51   52   53                                       
CONECT   16   14   54   55   56                                       
CONECT   17   12   18   57   58                                       
CONECT   18   20   17   19   59                                       
CONECT   19   18   60                                                 
CONECT   20   34   21   18   61                                       
CONECT   21   20   22   62                                            
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25                                                 
CONECT   25   33   24   26   63                                       
CONECT   26   25   27   64   65                                       
CONECT   27   32   28   26   66                                       
CONECT   28   29   27                                                 
CONECT   29   31   30   30   28                                       
CONECT   30   29   29                                                 
CONECT   31   29   32   67                                            
CONECT   32   31   33   27   68                                       
CONECT   33   32   25   69   70                                       
CONECT   34   40   20   71   72                                       
CONECT   35   36   36   40   73                                       
CONECT   36   37   35   35   74                                       
CONECT   37   38   38   36   75                                       
CONECT   38   37   37   39   76                                       
CONECT   39   38   40   40   77                                       
CONECT   40   39   39   35   34                                       
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   39                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
