COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.638  -1.037  -2.477  1.00  0.00           C  
HETATM    2  C   UNL     1       2.894  -0.694  -0.098  1.00  0.00           C  
HETATM    3  C   UNL     1       5.099  -1.093   0.860  1.00  0.00           C  
HETATM    4  C   UNL     1       7.450   3.663   1.314  1.00  0.00           C  
HETATM    5  C   UNL     1       7.460   4.132   2.614  1.00  0.00           C  
HETATM    6  C   UNL     1       6.841   6.309   1.832  1.00  0.00           C  
HETATM    7  C   UNL     1       7.141   4.518   0.272  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.368  -1.622   1.355  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.609  -3.117   0.744  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.716  -3.439  -0.456  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.771  -2.157   0.206  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.024  -0.842  -0.036  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.362  -2.345  -2.139  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.341  -0.521  -1.791  1.00  0.00           C  
HETATM   15  C   UNL     1       2.005  -0.204  -1.211  1.00  0.00           C  
HETATM   16  C   UNL     1       6.446  -0.371   0.791  1.00  0.00           C  
HETATM   17  C   UNL     1       6.240   1.120   1.065  1.00  0.00           C  
HETATM   18  C   UNL     1       7.156   5.456   2.873  1.00  0.00           C  
HETATM   19  C   UNL     1       6.837   5.841   0.531  1.00  0.00           C  
HETATM   20  C   UNL     1       5.320  -2.600   0.711  1.00  0.00           C  
HETATM   21  C   UNL     1       3.990  -3.331   0.904  1.00  0.00           C  
HETATM   22  C   UNL     1       4.207  -4.815   0.757  1.00  0.00           C  
HETATM   23  C   UNL     1       4.523  -5.581   1.864  1.00  0.00           C  
HETATM   24  C   UNL     1       4.723  -6.942   1.729  1.00  0.00           C  
HETATM   25  C   UNL     1       4.606  -7.538   0.488  1.00  0.00           C  
HETATM   26  C   UNL     1       4.289  -6.773  -0.619  1.00  0.00           C  
HETATM   27  C   UNL     1       4.084  -5.412  -0.484  1.00  0.00           C  
HETATM   28  C   UNL     1       2.267   1.283  -1.457  1.00  0.00           C  
HETATM   29  C   UNL     1       1.469   1.744  -2.649  1.00  0.00           C  
HETATM   30  C   UNL     1       0.189   2.236  -2.474  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.544   2.658  -3.568  1.00  0.00           C  
HETATM   32  C   UNL     1       0.003   2.588  -4.835  1.00  0.00           C  
HETATM   33  C   UNL     1       1.283   2.097  -5.009  1.00  0.00           C  
HETATM   34  C   UNL     1       2.018   1.680  -3.915  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.311  -0.524   1.077  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.203  -0.099   2.066  1.00  0.00           C  
HETATM   37  C   UNL     1     -10.082   0.927   1.804  1.00  0.00           C  
HETATM   38  C   UNL     1     -10.084   1.541   0.555  1.00  0.00           C  
HETATM   39  C   UNL     1     -11.328   3.454   1.295  1.00  0.00           C  
HETATM   40  C   UNL     1      -9.197   1.121  -0.433  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.311   0.100  -0.174  1.00  0.00           C  
HETATM   42  N   UNL     1      -3.870  -2.278  -0.762  1.00  0.00           N  
HETATM   43  N   UNL     1      -1.616  -0.789  -1.448  1.00  0.00           N  
HETATM   44  N   UNL     1       0.602  -0.397  -0.835  1.00  0.00           N  
HETATM   45  N   UNL     1       4.234  -0.617  -0.222  1.00  0.00           N  
HETATM   46  N   UNL     1     -10.975   2.579   0.292  1.00  0.00           N  
HETATM   47  N   UNL     1     -10.745   3.381   2.458  1.00  0.00           N  
HETATM   48  N   UNL     1     -12.296   4.404   1.070  1.00  0.00           N  
HETATM   49  O   UNL     1      -7.365  -2.160   2.445  1.00  0.00           O  
HETATM   50  O   UNL     1      -6.509  -2.030   0.400  1.00  0.00           O  
HETATM   51  O   UNL     1       8.332   1.984  -0.349  1.00  0.00           O  
HETATM   52  O   UNL     1       8.667   1.588   2.070  1.00  0.00           O  
HETATM   53  O   UNL     1       2.405  -1.159   0.910  1.00  0.00           O  
HETATM   54  O   UNL     1      -0.040  -0.390  -2.962  1.00  0.00           O  
HETATM   55  S   UNL     1       7.838   1.976   0.983  1.00  0.00           S  
HETATM   56  H   UNL     1      -2.161  -1.125  -3.453  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.354  -0.216  -2.491  1.00  0.00           H  
HETATM   58  H   UNL     1       4.626  -0.888   1.821  1.00  0.00           H  
HETATM   59  H   UNL     1       7.706   3.466   3.427  1.00  0.00           H  
HETATM   60  H   UNL     1       6.603   7.343   2.035  1.00  0.00           H  
HETATM   61  H   UNL     1       7.137   4.152  -0.744  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.190  -4.000   1.011  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.988  -2.821   1.590  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.085  -4.296  -0.220  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.339  -3.672  -1.320  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.084  -2.994   0.083  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.176  -2.165   1.218  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.680  -0.001   0.188  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.143  -0.798   0.604  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.194  -2.489  -2.827  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.666  -3.179  -2.229  1.00  0.00           H  
HETATM   72  H   UNL     1       2.218  -0.766  -2.120  1.00  0.00           H  
HETATM   73  H   UNL     1       7.121  -0.788   1.540  1.00  0.00           H  
HETATM   74  H   UNL     1       6.879  -0.503  -0.200  1.00  0.00           H  
HETATM   75  H   UNL     1       5.566   1.537   0.316  1.00  0.00           H  
HETATM   76  H   UNL     1       5.808   1.251   2.056  1.00  0.00           H  
HETATM   77  H   UNL     1       7.159   5.821   3.889  1.00  0.00           H  
HETATM   78  H   UNL     1       6.596   6.509  -0.282  1.00  0.00           H  
HETATM   79  H   UNL     1       5.711  -2.813  -0.284  1.00  0.00           H  
HETATM   80  H   UNL     1       6.033  -2.939   1.462  1.00  0.00           H  
HETATM   81  H   UNL     1       3.599  -3.118   1.899  1.00  0.00           H  
HETATM   82  H   UNL     1       3.276  -2.993   0.153  1.00  0.00           H  
HETATM   83  H   UNL     1       4.615  -5.115   2.834  1.00  0.00           H  
HETATM   84  H   UNL     1       4.970  -7.540   2.594  1.00  0.00           H  
HETATM   85  H   UNL     1       4.762  -8.601   0.382  1.00  0.00           H  
HETATM   86  H   UNL     1       4.198  -7.239  -1.589  1.00  0.00           H  
HETATM   87  H   UNL     1       3.833  -4.815  -1.348  1.00  0.00           H  
HETATM   88  H   UNL     1       1.970   1.854  -0.577  1.00  0.00           H  
HETATM   89  H   UNL     1       3.329   1.437  -1.649  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.239   2.290  -1.484  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.544   3.042  -3.432  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.571   2.914  -5.690  1.00  0.00           H  
HETATM   93  H   UNL     1       1.711   2.042  -6.000  1.00  0.00           H  
HETATM   94  H   UNL     1       3.019   1.296  -4.051  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.203  -0.576   3.036  1.00  0.00           H  
HETATM   96  H   UNL     1     -10.771   1.255   2.567  1.00  0.00           H  
HETATM   97  H   UNL     1      -9.202   1.599  -1.401  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.620  -0.223  -0.939  1.00  0.00           H  
HETATM   99  H   UNL     1       0.351  -0.435   0.101  1.00  0.00           H  
HETATM  100  H   UNL     1       4.626  -0.245  -1.028  1.00  0.00           H  
HETATM  101  H   UNL     1     -11.347   2.685  -0.597  1.00  0.00           H  
HETATM  102  H   UNL     1     -10.993   3.997   3.165  1.00  0.00           H  
HETATM  103  H   UNL     1     -12.544   5.021   1.776  1.00  0.00           H  
HETATM  104  H   UNL     1     -12.730   4.458   0.204  1.00  0.00           H  
CONECT    1   43   13   56   57                                       
CONECT    2   15   45   53   53                                       
CONECT    3   45   16   20   58                                       
CONECT    4    7   55    5    5                                       
CONECT    5    4    4   18   59                                       
CONECT    6   19   18   18   60                                       
CONECT    7   19   19    4   61                                       
CONECT    8   50   49   49   35                                       
CONECT    9   10   50   62   63                                       
CONECT   10   42    9   64   65                                       
CONECT   11   12   42   66   67                                       
CONECT   12   43   11   68   69                                       
CONECT   13    1   42   70   71                                       
CONECT   14   44   54   54   43                                       
CONECT   15   28   44    2   72                                       
CONECT   16   17    3   73   74                                       
CONECT   17   16   55   75   76                                       
CONECT   18    6    6    5   77                                       
CONECT   19    7    7    6   78                                       
CONECT   20    3   21   79   80                                       
CONECT   21   20   22   81   82                                       
CONECT   22   21   27   27   23                                       
CONECT   23   22   24   24   83                                       
CONECT   24   23   23   25   84                                       
CONECT   25   26   26   24   85                                       
CONECT   26   27   25   25   86                                       
CONECT   27   22   22   26   87                                       
CONECT   28   29   15   88   89                                       
CONECT   29   34   34   30   28                                       
CONECT   30   31   31   29   90                                       
CONECT   31   32   30   30   91                                       
CONECT   32   33   33   31   92                                       
CONECT   33   32   32   34   93                                       
CONECT   34   33   29   29   94                                       
CONECT   35    8   41   41   36                                       
CONECT   36   35   37   37   95                                       
CONECT   37   36   36   38   96                                       
CONECT   38   40   40   37   46                                       
CONECT   39   46   47   47   48                                       
CONECT   40   41   38   38   97                                       
CONECT   41   35   35   40   98                                       
CONECT   42   11   13   10                                            
CONECT   43   14   12    1                                            
CONECT   44   15   14   99                                            
CONECT   45    2    3  100                                            
CONECT   46   38   39  101                                            
CONECT   47   39   39  102                                            
CONECT   48   39  103  104                                            
CONECT   49    8    8                                                 
CONECT   50    9    8                                                 
CONECT   51   55   55                                                 
CONECT   52   55   55                                                 
CONECT   53    2    2                                                 
CONECT   54   14   14                                                 
CONECT   55   17   51   51    4                                       
CONECT   55   52   52                                                 
CONECT   56    1                                                      
CONECT   57    1                                                      
CONECT   58    3                                                      
CONECT   59    5                                                      
CONECT   60    6                                                      
CONECT   61    7                                                      
CONECT   62    9                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   10                                                      
CONECT   66   11                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   12                                                      
CONECT   70   13                                                      
CONECT   71   13                                                      
CONECT   72   15                                                      
CONECT   73   16                                                      
CONECT   74   16                                                      
CONECT   75   17                                                      
CONECT   76   17                                                      
CONECT   77   18                                                      
CONECT   78   19                                                      
CONECT   79   20                                                      
CONECT   80   20                                                      
CONECT   81   21                                                      
CONECT   82   21                                                      
CONECT   83   23                                                      
CONECT   84   24                                                      
CONECT   85   25                                                      
CONECT   86   26                                                      
CONECT   87   27                                                      
CONECT   88   28                                                      
CONECT   89   28                                                      
CONECT   90   30                                                      
CONECT   91   31                                                      
CONECT   92   32                                                      
CONECT   93   33                                                      
CONECT   94   34                                                      
CONECT   95   36                                                      
CONECT   96   37                                                      
CONECT   97   40                                                      
CONECT   98   41                                                      
CONECT   99   44                                                      
CONECT  100   45                                                      
CONECT  101   46                                                      
CONECT  102   47                                                      
CONECT  103   48                                                      
CONECT  104   48                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
