COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.202   2.322   0.593  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.664   0.932   0.240  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.606   3.460  -0.235  1.00  0.00           C  
HETATM    4  O   UNL     1      -1.496   2.499   1.564  1.00  0.00           O  
HETATM    5  N   UNL     1      -1.862  -0.050   0.975  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.137   0.772   0.619  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.639  -0.595   0.148  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.113  -0.754   0.526  1.00  0.00           C  
HETATM    9  N   UNL     1      -6.594  -2.063   0.075  1.00  0.00           N  
HETATM   10  C   UNL     1      -7.898  -2.433   0.305  1.00  0.00           C  
HETATM   11  N   UNL     1      -8.751  -1.575   0.958  1.00  0.00           N  
HETATM   12  N   UNL     1      -8.326  -3.597  -0.096  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.676  -0.457   0.480  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.273  -0.011  -0.573  1.00  0.00           O  
HETATM   15  C   UNL     1       0.149  -1.467   1.236  1.00  0.00           C  
HETATM   16  C   UNL     1       9.181   1.808   0.574  1.00  0.00           C  
HETATM   17  C   UNL     1       8.332   2.143  -0.464  1.00  0.00           C  
HETATM   18  C   UNL     1       7.320   1.278  -0.836  1.00  0.00           C  
HETATM   19  C   UNL     1       7.151   0.082  -0.164  1.00  0.00           C  
HETATM   20  C   UNL     1       8.000  -0.254   0.874  1.00  0.00           C  
HETATM   21  C   UNL     1       9.015   0.609   1.243  1.00  0.00           C  
HETATM   22  C   UNL     1       6.044  -0.858  -0.567  1.00  0.00           C  
HETATM   23  N   UNL     1       4.835  -0.546   0.199  1.00  0.00           N  
HETATM   24  C   UNL     1       3.661  -1.294  -0.004  1.00  0.00           C  
HETATM   25  C   UNL     1       3.636  -2.315  -0.913  1.00  0.00           C  
HETATM   26  N   UNL     1       2.518  -3.018  -1.097  1.00  0.00           N  
HETATM   27  C   UNL     1       1.421  -2.751  -0.419  1.00  0.00           C  
HETATM   28  N   UNL     1       1.383  -1.742   0.496  1.00  0.00           N  
HETATM   29  C   UNL     1       2.489  -1.003   0.726  1.00  0.00           C  
HETATM   30  O   UNL     1       2.474  -0.098   1.545  1.00  0.00           O  
HETATM   31  S   UNL     1      -0.027  -3.714  -0.704  1.00  0.00           S  
HETATM   32  C   UNL     1       0.594  -4.847  -1.971  1.00  0.00           C  
HETATM   33  N   UNL     1      -3.361   3.479  -1.330  1.00  0.00           N  
HETATM   34  C   UNL     1      -3.612   4.610  -1.928  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.087   5.771  -1.434  1.00  0.00           C  
HETATM   36  S   UNL     1      -2.210   5.192  -0.051  1.00  0.00           S  
HETATM   37  H   UNL     1      -2.544   0.770  -0.831  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.184  -0.407   1.817  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.245   0.845   1.701  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.722   1.558   0.141  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.532  -0.668  -0.934  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.055  -1.381   0.625  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.221  -0.681   1.608  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.698   0.032   0.049  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.992  -2.668  -0.386  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.671  -1.836   1.121  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.433  -0.708   1.257  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.246  -3.858   0.067  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.420  -2.390   1.349  1.00  0.00           H  
HETATM   50  H   UNL     1       0.396  -1.070   2.221  1.00  0.00           H  
HETATM   51  H   UNL     1       9.973   2.482   0.864  1.00  0.00           H  
HETATM   52  H   UNL     1       8.462   3.079  -0.986  1.00  0.00           H  
HETATM   53  H   UNL     1       6.657   1.540  -1.648  1.00  0.00           H  
HETATM   54  H   UNL     1       7.870  -1.190   1.396  1.00  0.00           H  
HETATM   55  H   UNL     1       9.678   0.347   2.055  1.00  0.00           H  
HETATM   56  H   UNL     1       6.348  -1.885  -0.363  1.00  0.00           H  
HETATM   57  H   UNL     1       5.840  -0.744  -1.631  1.00  0.00           H  
HETATM   58  H   UNL     1       4.843   0.177   0.845  1.00  0.00           H  
HETATM   59  H   UNL     1       4.522  -2.554  -1.482  1.00  0.00           H  
HETATM   60  H   UNL     1       1.432  -5.417  -1.570  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.201  -5.531  -2.268  1.00  0.00           H  
HETATM   62  H   UNL     1       0.925  -4.277  -2.839  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.229   4.629  -2.814  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.191   6.780  -1.804  1.00  0.00           H  
CONECT    1    2    3    4    4                                       
CONECT    2    1    5    6   37                                       
CONECT    3    1   33   33   36                                       
CONECT    4    1    1                                                 
CONECT    5    2   13   38                                            
CONECT    6    2    7   39   40                                       
CONECT    7    6    8   41   42                                       
CONECT    8    7    9   43   44                                       
CONECT    9    8   10   45                                            
CONECT   10    9   11   12   12                                       
CONECT   11   10   46   47                                            
CONECT   12   10   10   48                                            
CONECT   13    5   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   28   49   50                                       
CONECT   16   17   21   21   51                                       
CONECT   17   16   18   18   52                                       
CONECT   18   17   17   19   53                                       
CONECT   19   18   20   20   22                                       
CONECT   20   19   19   21   54                                       
CONECT   21   16   16   20   55                                       
CONECT   22   19   23   56   57                                       
CONECT   23   22   24   58                                            
CONECT   24   23   25   25   29                                       
CONECT   25   24   24   26   59                                       
CONECT   26   25   27   27                                            
CONECT   27   26   26   28   31                                       
CONECT   28   15   27   29                                            
CONECT   29   24   28   30   30                                       
CONECT   30   29   29                                                 
CONECT   31   27   32                                                 
CONECT   32   31   60   61   62                                       
CONECT   33    3    3   34                                            
CONECT   34   33   35   35   63                                       
CONECT   35   34   34   36   64                                       
CONECT   36    3   35                                                 
CONECT   37    2                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   25                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
CONECT   62   32                                                      
CONECT   63   34                                                      
CONECT   64   35                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
