COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       5.100   0.262   1.643  1.00  0.00           S  
HETATM    2  C   UNL     1       5.837   0.990   0.154  1.00  0.00           C  
HETATM    3  C   UNL     1       6.612  -0.086  -0.612  1.00  0.00           C  
HETATM    4  O   UNL     1       7.240   0.502  -1.753  1.00  0.00           O  
HETATM    5  C   UNL     1       8.185   1.525  -1.436  1.00  0.00           C  
HETATM    6  O   UNL     1       8.769   2.024  -2.641  1.00  0.00           O  
HETATM    7  C   UNL     1       7.473   2.666  -0.704  1.00  0.00           C  
HETATM    8  O   UNL     1       8.427   3.665  -0.335  1.00  0.00           O  
HETATM    9  C   UNL     1       6.798   2.113   0.555  1.00  0.00           C  
HETATM   10  O   UNL     1       6.070   3.158   1.205  1.00  0.00           O  
HETATM   11  S   UNL     1      -0.018  -2.993  -0.001  1.00  0.00           S  
HETATM   12  C   UNL     1       1.184  -1.866   0.759  1.00  0.00           C  
HETATM   13  C   UNL     1       1.893  -1.061  -0.334  1.00  0.00           C  
HETATM   14  O   UNL     1       2.879  -0.216   0.263  1.00  0.00           O  
HETATM   15  C   UNL     1       3.903  -0.923   0.969  1.00  0.00           C  
HETATM   16  C   UNL     1       3.274  -1.720   2.114  1.00  0.00           C  
HETATM   17  O   UNL     1       4.286  -2.472   2.786  1.00  0.00           O  
HETATM   18  C   UNL     1       2.222  -2.676   1.542  1.00  0.00           C  
HETATM   19  O   UNL     1       1.577  -3.372   2.611  1.00  0.00           O  
HETATM   20  S   UNL     1      -5.127   0.278  -1.636  1.00  0.00           S  
HETATM   21  C   UNL     1      -3.946  -0.924  -0.965  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.851  -0.187  -0.189  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.891  -1.130   0.290  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.226  -1.861  -0.743  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.256  -2.666  -1.541  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.602  -3.353  -2.609  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.306  -1.709  -2.113  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.312  -2.459  -2.798  1.00  0.00           O  
HETATM   29  C   UNL     1      -5.879   0.988  -0.145  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.824   2.125  -0.542  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.500   2.679   0.716  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.230   1.539   1.434  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.230   0.426   1.754  1.00  0.00           C  
HETATM   34  O   UNL     1      -6.080   3.164  -1.182  1.00  0.00           O  
HETATM   35  O   UNL     1      -8.440   3.691   0.347  1.00  0.00           O  
HETATM   36  O   UNL     1      -8.804   2.030   2.647  1.00  0.00           O  
HETATM   37  O   UNL     1      -6.615  -0.023   0.545  1.00  0.00           O  
HETATM   38  H   UNL     1       5.049   1.394  -0.483  1.00  0.00           H  
HETATM   39  H   UNL     1       7.372  -0.519   0.039  1.00  0.00           H  
HETATM   40  H   UNL     1       5.924  -0.867  -0.937  1.00  0.00           H  
HETATM   41  H   UNL     1       8.965   1.114  -0.796  1.00  0.00           H  
HETATM   42  H   UNL     1       9.237   1.353  -3.158  1.00  0.00           H  
HETATM   43  H   UNL     1       6.720   3.105  -1.358  1.00  0.00           H  
HETATM   44  H   UNL     1       8.896   4.056  -1.084  1.00  0.00           H  
HETATM   45  H   UNL     1       7.555   1.719   1.232  1.00  0.00           H  
HETATM   46  H   UNL     1       6.618   3.906   1.480  1.00  0.00           H  
HETATM   47  H   UNL     1       0.667  -1.185   1.436  1.00  0.00           H  
HETATM   48  H   UNL     1       2.374  -1.744  -1.033  1.00  0.00           H  
HETATM   49  H   UNL     1       1.164  -0.450  -0.866  1.00  0.00           H  
HETATM   50  H   UNL     1       4.411  -1.604   0.287  1.00  0.00           H  
HETATM   51  H   UNL     1       2.800  -1.036   2.817  1.00  0.00           H  
HETATM   52  H   UNL     1       4.986  -1.929   3.174  1.00  0.00           H  
HETATM   53  H   UNL     1       2.702  -3.393   0.877  1.00  0.00           H  
HETATM   54  H   UNL     1       2.176  -3.907   3.149  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.466  -1.612  -0.298  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.296   0.340   0.656  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.359   0.530  -0.846  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.713  -1.166  -1.408  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.740  -3.389  -0.885  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.923  -3.977  -2.319  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.831  -1.017  -2.808  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.977  -2.982  -3.539  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.096   1.377   0.506  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.583   1.745  -1.227  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.746   3.105   1.377  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.018   1.149   0.790  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.465   0.807   2.431  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.752  -0.406   2.227  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.621   2.882  -1.985  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.906   4.086   1.097  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.283   1.360   3.155  1.00  0.00           H  
CONECT    1   15    2                                                 
CONECT    2    1    3    9   38                                       
CONECT    3    2    4   39   40                                       
CONECT    4    3    5                                                 
CONECT    5    4    6    7   41                                       
CONECT    6    5   42                                                 
CONECT    7    5    8    9   43                                       
CONECT    8    7   44                                                 
CONECT    9    2    7   10   45                                       
CONECT   10    9   46                                                 
CONECT   11   24   12                                                 
CONECT   12   11   13   18   47                                       
CONECT   13   12   14   48   49                                       
CONECT   14   13   15                                                 
CONECT   15   16   14    1   50                                       
CONECT   16   18   15   17   51                                       
CONECT   17   16   52                                                 
CONECT   18   12   16   19   53                                       
CONECT   19   18   54                                                 
CONECT   20   29   21                                                 
CONECT   21   20   22   27   55                                       
CONECT   22   21   23   57   56                                       
CONECT   23   22   24                                                 
CONECT   24   25   23   11   58                                       
CONECT   25   27   24   26   59                                       
CONECT   26   25   60                                                 
CONECT   27   21   25   28   61                                       
CONECT   28   27   62                                                 
CONECT   29   30   37   20   63                                       
CONECT   30   34   29   31   64                                       
CONECT   31   30   35   32   65                                       
CONECT   32   31   33   36   66                                       
CONECT   33   32   37   67   68                                       
CONECT   34   30   69                                                 
CONECT   35   31   70                                                 
CONECT   36   32   71                                                 
CONECT   37   33   29                                                 
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
