COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.034   0.929   0.104  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.440   1.301  -0.292  1.00  0.00           C  
HETATM    3  O   UNL     1      -4.681   2.419  -0.696  1.00  0.00           O  
HETATM    4  N   UNL     1      -5.430   0.391  -0.199  1.00  0.00           N  
HETATM    5  C   UNL     1      -6.796   0.752  -0.583  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.967   0.566  -2.092  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.763  -0.907  -2.451  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.376   1.001  -2.503  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.000  -0.578   1.033  1.00  0.00           C  
HETATM   10  N   UNL     1      -9.070   0.228   0.238  1.00  0.00           N  
HETATM   11  C   UNL     1      -7.774  -0.132   0.146  1.00  0.00           C  
HETATM   12  O   UNL     1      -7.396  -1.168   0.650  1.00  0.00           O  
HETATM   13  C   UNL     1      -5.935   1.419  -2.832  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.863   1.115   1.612  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.887   0.282   2.341  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.614  -1.038   2.645  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.553  -1.802   3.313  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.765  -1.245   3.676  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.037   0.076   3.373  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.097   0.840   2.709  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.789  -0.437  -0.239  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.041   1.827  -0.637  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.614   1.452  -0.232  1.00  0.00           C  
HETATM   24  C   UNL     1       0.373   2.415  -0.893  1.00  0.00           C  
HETATM   25  N   UNL     1       1.747   1.985  -0.600  1.00  0.00           N  
HETATM   26  C   UNL     1       2.721   2.980  -1.070  1.00  0.00           C  
HETATM   27  C   UNL     1       4.106   2.565  -0.645  1.00  0.00           C  
HETATM   28  C   UNL     1       4.871   1.764  -1.474  1.00  0.00           C  
HETATM   29  C   UNL     1       6.140   1.382  -1.090  1.00  0.00           C  
HETATM   30  C   UNL     1       6.651   1.804   0.135  1.00  0.00           C  
HETATM   31  C   UNL     1       5.877   2.611   0.967  1.00  0.00           C  
HETATM   32  C   UNL     1       4.611   2.992   0.570  1.00  0.00           C  
HETATM   33  C   UNL     1       1.066  -2.283  -1.233  1.00  0.00           C  
HETATM   34  C   UNL     1       5.273  -5.472  -0.086  1.00  0.00           C  
HETATM   35  O   UNL     1       4.524  -4.355   0.460  1.00  0.00           O  
HETATM   36  C   UNL     1       3.865  -3.573  -0.417  1.00  0.00           C  
HETATM   37  O   UNL     1       3.916  -3.818  -1.606  1.00  0.00           O  
HETATM   38  N   UNL     1       3.151  -2.519   0.024  1.00  0.00           N  
HETATM   39  C   UNL     1       2.435  -1.669  -0.930  1.00  0.00           C  
HETATM   40  C   UNL     1       2.249  -0.296  -0.338  1.00  0.00           C  
HETATM   41  N   UNL     1       2.001   0.757  -1.142  1.00  0.00           N  
HETATM   42  O   UNL     1       2.322  -0.138   0.863  1.00  0.00           O  
HETATM   43  C   UNL     1       0.205  -2.257   0.031  1.00  0.00           C  
HETATM   44  C   UNL     1       0.379  -1.476  -2.336  1.00  0.00           C  
HETATM   45  C   UNL     1       1.248  -3.729  -1.698  1.00  0.00           C  
HETATM   46  S   UNL     1      10.338   0.354   0.620  1.00  0.00           S  
HETATM   47  C   UNL     1       8.808   0.619  -0.206  1.00  0.00           C  
HETATM   48  C   UNL     1       8.015   1.396   0.554  1.00  0.00           C  
HETATM   49  C   UNL     1       8.580   1.786   1.767  1.00  0.00           C  
HETATM   50  C   UNL     1       9.812   1.331   1.983  1.00  0.00           C  
HETATM   51  H   UNL     1      -1.862   0.799   1.906  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.002   2.165   1.867  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.880  -0.628  -1.183  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.161   1.692  -1.712  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.231   2.868  -0.378  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.237  -0.504   0.124  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.984   1.794  -0.322  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.499  -1.515  -1.924  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.885  -1.039  -3.526  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.760  -1.216  -2.158  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.518   2.053  -2.257  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.501   0.859  -3.577  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.112   0.399  -1.969  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.931   1.110  -2.539  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.056   1.287  -3.907  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.080   2.469  -2.576  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.036  -1.591   0.633  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.660  -0.608   2.069  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.994  -0.134   0.989  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.387   1.021  -0.222  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.667  -1.474   2.361  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.308   1.873   2.475  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.340  -2.834   3.550  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.499  -1.842   4.198  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.984   0.511   3.657  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.515   1.517   0.852  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.400   0.433  -0.555  1.00  0.00           H  
HETATM   78  H   UNL     1       0.214   2.415  -1.972  1.00  0.00           H  
HETATM   79  H   UNL     1       0.216   3.421  -0.503  1.00  0.00           H  
HETATM   80  H   UNL     1       2.679   3.045  -2.157  1.00  0.00           H  
HETATM   81  H   UNL     1       2.484   3.952  -0.638  1.00  0.00           H  
HETATM   82  H   UNL     1       2.004   0.643  -2.105  1.00  0.00           H  
HETATM   83  H   UNL     1       4.473   1.437  -2.424  1.00  0.00           H  
HETATM   84  H   UNL     1       4.011   3.621   1.212  1.00  0.00           H  
HETATM   85  H   UNL     1       6.736   0.756  -1.738  1.00  0.00           H  
HETATM   86  H   UNL     1       6.268   2.941   1.918  1.00  0.00           H  
HETATM   87  H   UNL     1       3.011  -1.592  -1.852  1.00  0.00           H  
HETATM   88  H   UNL     1       0.075  -1.227   0.361  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.770  -2.695  -0.186  1.00  0.00           H  
HETATM   90  H   UNL     1       0.695  -2.832   0.816  1.00  0.00           H  
HETATM   91  H   UNL     1       0.998  -1.485  -3.233  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.591  -1.919  -2.560  1.00  0.00           H  
HETATM   93  H   UNL     1       0.239  -0.448  -2.001  1.00  0.00           H  
HETATM   94  H   UNL     1       1.738  -4.304  -0.912  1.00  0.00           H  
HETATM   95  H   UNL     1       0.273  -4.167  -1.914  1.00  0.00           H  
HETATM   96  H   UNL     1       1.862  -3.747  -2.598  1.00  0.00           H  
HETATM   97  H   UNL     1       4.595  -6.138  -0.621  1.00  0.00           H  
HETATM   98  H   UNL     1       6.032  -5.099  -0.774  1.00  0.00           H  
HETATM   99  H   UNL     1       5.754  -6.019   0.725  1.00  0.00           H  
HETATM  100  H   UNL     1       3.111  -2.324   0.973  1.00  0.00           H  
HETATM  101  H   UNL     1       8.546   0.220  -1.175  1.00  0.00           H  
HETATM  102  H   UNL     1      10.401   1.533   2.865  1.00  0.00           H  
HETATM  103  H   UNL     1       8.059   2.411   2.477  1.00  0.00           H  
CONECT    1    2   14   21   22                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   56                                            
CONECT    5    4    6   11   57                                       
CONECT    6    5    7    8   13                                       
CONECT    7    6   58   59   60                                       
CONECT    8    6   61   62   63                                       
CONECT    9   10   67   68   69                                       
CONECT   10    9   11   70                                            
CONECT   11    5   10   12   12                                       
CONECT   12   11   11                                                 
CONECT   13    6   64   65   66                                       
CONECT   14    1   15   51   52                                       
CONECT   15   14   16   20   20                                       
CONECT   16   15   17   17   71                                       
CONECT   17   16   16   18   73                                       
CONECT   18   17   19   19   74                                       
CONECT   19   18   18   20   75                                       
CONECT   20   15   15   19   72                                       
CONECT   21    1   53                                                 
CONECT   22    1   23   54   55                                       
CONECT   23   22   24   76   77                                       
CONECT   24   23   25   78   79                                       
CONECT   25   24   26   41                                            
CONECT   26   25   27   80   81                                       
CONECT   27   26   28   32   32                                       
CONECT   28   27   29   29   83                                       
CONECT   29   28   28   30   85                                       
CONECT   30   29   31   31   48                                       
CONECT   31   30   30   32   86                                       
CONECT   32   27   27   31   84                                       
CONECT   33   39   43   44   45                                       
CONECT   34   35   97   98   99                                       
CONECT   35   34   36                                                 
CONECT   36   35   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   39  100                                            
CONECT   39   33   38   40   87                                       
CONECT   40   39   41   42   42                                       
CONECT   41   25   40   82                                            
CONECT   42   40   40                                                 
CONECT   43   33   88   89   90                                       
CONECT   44   33   91   92   93                                       
CONECT   45   33   94   95   96                                       
CONECT   46   47   50                                                 
CONECT   47   46   48   48  101                                       
CONECT   48   30   47   47   49                                       
CONECT   49   48   50   50  103                                       
CONECT   50   46   49   49  102                                       
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56    4                                                      
CONECT   57    5                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    8                                                      
CONECT   63    8                                                      
CONECT   64   13                                                      
CONECT   65   13                                                      
CONECT   66   13                                                      
CONECT   67    9                                                      
CONECT   68    9                                                      
CONECT   69    9                                                      
CONECT   70   10                                                      
CONECT   71   16                                                      
CONECT   72   20                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   19                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   24                                                      
CONECT   79   24                                                      
CONECT   80   26                                                      
CONECT   81   26                                                      
CONECT   82   41                                                      
CONECT   83   28                                                      
CONECT   84   32                                                      
CONECT   85   29                                                      
CONECT   86   31                                                      
CONECT   87   39                                                      
CONECT   88   43                                                      
CONECT   89   43                                                      
CONECT   90   43                                                      
CONECT   91   44                                                      
CONECT   92   44                                                      
CONECT   93   44                                                      
CONECT   94   45                                                      
CONECT   95   45                                                      
CONECT   96   45                                                      
CONECT   97   34                                                      
CONECT   98   34                                                      
CONECT   99   34                                                      
CONECT  100   38                                                      
CONECT  101   47                                                      
CONECT  102   50                                                      
CONECT  103   49                                                      
MASTER        0    0    0    0    0    0    0    0  103    0  103    0
END
