COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.684  -1.606   0.734  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.905  -0.412   0.804  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.074   0.322   1.539  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.276   1.678   2.115  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.668   1.546   3.535  1.00  0.00           C  
HETATM    6  C   UNL     1       0.428   0.462   3.397  1.00  0.00           C  
HETATM    7  S   UNL     1       0.112  -0.905   4.547  1.00  0.00           S  
HETATM    8  O   UNL     1       1.172  -1.847   4.446  1.00  0.00           O  
HETATM    9  O   UNL     1      -1.230  -1.340   4.389  1.00  0.00           O  
HETATM   10  C   UNL     1       0.263  -0.012   6.118  1.00  0.00           C  
HETATM   11  C   UNL     1       0.032  -0.981   7.280  1.00  0.00           C  
HETATM   12  N   UNL     1       0.261  -0.284   8.552  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.882   0.615   8.753  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.707   1.377  10.068  1.00  0.00           C  
HETATM   15  C   UNL     1       0.189  -1.301   9.610  1.00  0.00           C  
HETATM   16  C   UNL     1       1.568  -1.934   9.803  1.00  0.00           C  
HETATM   17  C   UNL     1       0.318  -0.027   1.933  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.061   0.102   0.076  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.025   0.960   0.474  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.819   1.203  -0.575  1.00  0.00           O  
HETATM   21  N   UNL     1      -3.311  -0.186  -1.241  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.337   0.510  -1.618  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.934   0.545  -3.012  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.876   0.141  -3.996  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.097  -0.727  -3.685  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.745   0.772  -5.351  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.994  -0.168  -6.299  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.069  -1.504  -5.799  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.553   0.248  -6.396  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.635  -0.586  -6.862  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.035  -1.952  -7.347  1.00  0.00           C  
HETATM   32  C   UNL     1       0.780  -0.171  -6.919  1.00  0.00           C  
HETATM   33  C   UNL     1       1.722  -1.087  -7.129  1.00  0.00           C  
HETATM   34  C   UNL     1       3.179  -0.689  -7.148  1.00  0.00           C  
HETATM   35  N   UNL     1       3.770  -1.101  -5.853  1.00  0.00           N  
HETATM   36  C   UNL     1       3.817  -0.171  -4.868  1.00  0.00           C  
HETATM   37  O   UNL     1       3.756   1.012  -5.139  1.00  0.00           O  
HETATM   38  C   UNL     1       3.943  -0.607  -3.470  1.00  0.00           C  
HETATM   39  C   UNL     1       4.088   0.309  -2.515  1.00  0.00           C  
HETATM   40  C   UNL     1       4.173  -0.127  -1.075  1.00  0.00           C  
HETATM   41  C   UNL     1       5.635  -0.113  -0.624  1.00  0.00           C  
HETATM   42  C   UNL     1       3.361   0.827  -0.199  1.00  0.00           C  
HETATM   43  C   UNL     1       2.623   1.825  -1.093  1.00  0.00           C  
HETATM   44  C   UNL     1       1.239   1.272  -1.440  1.00  0.00           C  
HETATM   45  C   UNL     1       2.469   3.156  -0.353  1.00  0.00           C  
HETATM   46  O   UNL     1       2.397   0.086   0.593  1.00  0.00           O  
HETATM   47  C   UNL     1       1.289   0.696   1.039  1.00  0.00           C  
HETATM   48  O   UNL     1       1.068   1.840   0.720  1.00  0.00           O  
HETATM   49  H   UNL     1      -2.337   1.920   2.170  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.739   2.428   1.534  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.431   1.227   4.246  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.229   2.493   3.849  1.00  0.00           H  
HETATM   53  H   UNL     1       1.412   0.892   3.581  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.479   0.784   6.156  1.00  0.00           H  
HETATM   55  H   UNL     1       1.262   0.417   6.198  1.00  0.00           H  
HETATM   56  H   UNL     1       0.722  -1.820   7.196  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.993  -1.349   7.247  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.801   0.031   8.791  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.936   1.324   7.927  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.556   2.045  10.217  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.653   0.668  10.894  1.00  0.00           H  
HETATM   62  H   UNL     1       0.212   1.961  10.030  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.130  -0.834  10.541  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.527  -2.071   9.325  1.00  0.00           H  
HETATM   65  H   UNL     1       1.507  -2.713  10.563  1.00  0.00           H  
HETATM   66  H   UNL     1       1.903  -2.370   8.862  1.00  0.00           H  
HETATM   67  H   UNL     1       2.277  -1.170  10.123  1.00  0.00           H  
HETATM   68  H   UNL     1       0.455  -1.102   1.870  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.135   1.377   1.464  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.277   1.555  -3.238  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.771  -0.150  -3.069  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.196   1.709  -5.262  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.738   0.973  -5.753  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.450  -0.125  -7.288  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.998  -1.770  -5.850  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.230   1.232  -6.085  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.184  -2.430  -7.832  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.358  -2.558  -6.500  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.854  -1.858  -8.060  1.00  0.00           H  
HETATM   80  H   UNL     1       1.025   0.876  -6.825  1.00  0.00           H  
HETATM   81  H   UNL     1       1.461  -2.124  -7.291  1.00  0.00           H  
HETATM   82  H   UNL     1       3.266   0.389  -7.269  1.00  0.00           H  
HETATM   83  H   UNL     1       3.690  -1.197  -7.967  1.00  0.00           H  
HETATM   84  H   UNL     1       4.109  -1.999  -5.716  1.00  0.00           H  
HETATM   85  H   UNL     1       3.906  -1.660  -3.218  1.00  0.00           H  
HETATM   86  H   UNL     1       4.168   1.362  -2.754  1.00  0.00           H  
HETATM   87  H   UNL     1       3.774  -1.137  -0.978  1.00  0.00           H  
HETATM   88  H   UNL     1       6.215  -0.794  -1.248  1.00  0.00           H  
HETATM   89  H   UNL     1       6.035   0.896  -0.720  1.00  0.00           H  
HETATM   90  H   UNL     1       5.698  -0.432   0.415  1.00  0.00           H  
HETATM   91  H   UNL     1       4.035   1.368   0.465  1.00  0.00           H  
HETATM   92  H   UNL     1       3.192   1.982  -2.009  1.00  0.00           H  
HETATM   93  H   UNL     1       0.519   2.090  -1.474  1.00  0.00           H  
HETATM   94  H   UNL     1       1.278   0.780  -2.412  1.00  0.00           H  
HETATM   95  H   UNL     1       0.935   0.552  -0.680  1.00  0.00           H  
HETATM   96  H   UNL     1       2.557   2.987   0.719  1.00  0.00           H  
HETATM   97  H   UNL     1       3.250   3.844  -0.678  1.00  0.00           H  
HETATM   98  H   UNL     1       1.492   3.584  -0.576  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   18                                       
CONECT    3    2    4   17                                            
CONECT    4    3    5   49   50                                       
CONECT    5    4    6   51   52                                       
CONECT    6    5    7   17   53                                       
CONECT    7    6    8    8    9                                       
CONECT    7    9   10                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10    7   11   54   55                                       
CONECT   11   10   12   56   57                                       
CONECT   12   11   13   15                                            
CONECT   13   12   14   58   59                                       
CONECT   14   13   60   61   62                                       
CONECT   15   12   16   63   64                                       
CONECT   16   15   65   66   67                                       
CONECT   17    3    6   47   68                                       
CONECT   18    2   19   19   21                                       
CONECT   19   18   18   20   69                                       
CONECT   20   19   22                                                 
CONECT   21   18   22   22                                            
CONECT   22   20   21   21   23                                       
CONECT   23   22   24   70   71                                       
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   72   73                                       
CONECT   27   26   28   29   74                                       
CONECT   28   27   75                                                 
CONECT   29   27   30   30   76                                       
CONECT   30   29   29   31   32                                       
CONECT   31   30   77   78   79                                       
CONECT   32   30   33   33   80                                       
CONECT   33   32   32   34   81                                       
CONECT   34   33   35   82   83                                       
CONECT   35   34   36   84                                            
CONECT   36   35   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   39   39   85                                       
CONECT   39   38   38   40   86                                       
CONECT   40   39   41   42   87                                       
CONECT   41   40   88   89   90                                       
CONECT   42   40   43   46   91                                       
CONECT   43   42   44   45   92                                       
CONECT   44   43   93   94   95                                       
CONECT   45   43   96   97   98                                       
CONECT   46   42   47                                                 
CONECT   47   17   46   48   48                                       
CONECT   48   47   47                                                 
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   19                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   40                                                      
CONECT   88   41                                                      
CONECT   89   41                                                      
CONECT   90   41                                                      
CONECT   91   42                                                      
CONECT   92   43                                                      
CONECT   93   44                                                      
CONECT   94   44                                                      
CONECT   95   44                                                      
CONECT   96   45                                                      
CONECT   97   45                                                      
CONECT   98   45                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
