COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -11.539  -1.435  -1.928  1.00  0.00           O  
HETATM    2  O   UNL     1     -12.755  -2.678  -0.336  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.294  -0.110   0.001  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.930   1.451  -1.489  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.062   0.474  -1.619  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.342  -0.412  -0.709  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.520  -1.342  -0.948  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.864  -1.929   0.531  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.786   1.901  -0.302  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.710   1.236   0.597  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.542   2.216   0.528  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.658   2.894  -0.860  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.954   2.338  -1.512  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.213   1.465   0.642  1.00  0.00           C  
HETATM   15  C   UNL     1       0.944   2.441   0.421  1.00  0.00           C  
HETATM   16  C   UNL     1       2.266   1.671   0.411  1.00  0.00           C  
HETATM   17  C   UNL     1       3.406   2.632   0.193  1.00  0.00           C  
HETATM   18  C   UNL     1       5.781   3.110  -0.065  1.00  0.00           C  
HETATM   19  C   UNL     1       7.083   2.351  -0.075  1.00  0.00           C  
HETATM   20  C   UNL     1       7.774   2.151   1.106  1.00  0.00           C  
HETATM   21  C   UNL     1       8.968   1.457   1.100  1.00  0.00           C  
HETATM   22  C   UNL     1       9.474   0.959  -0.093  1.00  0.00           C  
HETATM   23  C   UNL     1       8.778   1.160  -1.276  1.00  0.00           C  
HETATM   24  C   UNL     1       7.582   1.851  -1.263  1.00  0.00           C  
HETATM   25  C   UNL     1      11.108  -0.208  -1.365  1.00  0.00           C  
HETATM   26  S   UNL     1     -11.768  -1.661  -0.440  1.00  0.00           S  
HETATM   27  O   UNL     1     -10.485  -2.248   0.130  1.00  0.00           O  
HETATM   28  C   UNL     1      -9.429  -1.297   0.283  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.613  -1.638   1.531  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.540  -0.571   1.753  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.570  -0.572   0.567  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.506   0.495   0.764  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.852   0.855  -0.577  1.00  0.00           C  
HETATM   34  O   UNL     1       3.183   3.817   0.059  1.00  0.00           O  
HETATM   35  N   UNL     1       4.673   2.175   0.147  1.00  0.00           N  
HETATM   36  O   UNL     1      10.648   0.275  -0.102  1.00  0.00           O  
HETATM   37  C   UNL     1      12.434  -0.947  -1.177  1.00  0.00           C  
HETATM   38  N   UNL     1      12.223  -2.124  -0.324  1.00  0.00           N  
HETATM   39  C   UNL     1      13.495  -2.602   0.237  1.00  0.00           C  
HETATM   40  C   UNL     1      13.222  -3.790   1.165  1.00  0.00           C  
HETATM   41  O   UNL     1      12.534  -4.809   0.436  1.00  0.00           O  
HETATM   42  C   UNL     1      11.291  -4.378  -0.124  1.00  0.00           C  
HETATM   43  C   UNL     1      11.544  -3.196  -1.065  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.097   0.844   2.035  1.00  0.00           C  
HETATM   45  C   UNL     1      -3.336   1.029   1.963  1.00  0.00           C  
HETATM   46  C   UNL     1      -4.479   0.017   1.787  1.00  0.00           C  
HETATM   47  O   UNL     1     -11.915  -0.373   0.144  1.00  0.00           O  
HETATM   48  H   UNL     1      -1.894   0.044  -1.001  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.530  -0.566   0.631  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.162  -0.768  -0.051  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.505   1.649  -2.474  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.298   2.382  -1.058  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.673   0.509  -2.509  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.075  -1.012  -1.827  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.159  -2.359  -1.103  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.088  -1.914  -0.234  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.413  -2.129   1.503  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.589  -2.709   0.299  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.215   2.770   0.197  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.625   2.959   1.321  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.732   3.975  -0.743  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.792   2.642  -1.473  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.728   1.486  -2.153  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.468   3.118  -2.073  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.175   0.679  -0.111  1.00  0.00           H  
HETATM   66  H   UNL     1       0.813   2.950  -0.534  1.00  0.00           H  
HETATM   67  H   UNL     1       0.958   3.177   1.225  1.00  0.00           H  
HETATM   68  H   UNL     1       2.397   1.162   1.366  1.00  0.00           H  
HETATM   69  H   UNL     1       2.252   0.936  -0.394  1.00  0.00           H  
HETATM   70  H   UNL     1       5.795   3.845   0.740  1.00  0.00           H  
HETATM   71  H   UNL     1       5.650   3.619  -1.020  1.00  0.00           H  
HETATM   72  H   UNL     1       7.381   2.539   2.034  1.00  0.00           H  
HETATM   73  H   UNL     1       9.508   1.301   2.022  1.00  0.00           H  
HETATM   74  H   UNL     1       9.169   0.774  -2.205  1.00  0.00           H  
HETATM   75  H   UNL     1       7.037   2.004  -2.184  1.00  0.00           H  
HETATM   76  H   UNL     1      10.368  -0.891  -1.784  1.00  0.00           H  
HETATM   77  H   UNL     1      11.252   0.631  -2.045  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.852  -0.298   0.387  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.273  -1.674   2.398  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.137  -2.610   1.399  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.012   0.408   1.835  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.993  -0.789   2.670  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.986   1.389   1.164  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.418  -0.033  -1.036  1.00  0.00           H  
HETATM   85  H   UNL     1       4.851   1.228   0.254  1.00  0.00           H  
HETATM   86  H   UNL     1      12.814  -1.265  -2.148  1.00  0.00           H  
HETATM   87  H   UNL     1      13.157  -0.281  -0.705  1.00  0.00           H  
HETATM   88  H   UNL     1      14.155  -2.916  -0.571  1.00  0.00           H  
HETATM   89  H   UNL     1      13.969  -1.799   0.803  1.00  0.00           H  
HETATM   90  H   UNL     1      14.167  -4.184   1.539  1.00  0.00           H  
HETATM   91  H   UNL     1      12.607  -3.463   2.003  1.00  0.00           H  
HETATM   92  H   UNL     1      10.840  -5.197  -0.683  1.00  0.00           H  
HETATM   93  H   UNL     1      10.619  -4.068   0.676  1.00  0.00           H  
HETATM   94  H   UNL     1      10.594  -2.828  -1.450  1.00  0.00           H  
HETATM   95  H   UNL     1      12.173  -3.520  -1.895  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.092   1.633   2.786  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.945   0.182   2.210  1.00  0.00           H  
HETATM   98  H   UNL     1       0.829   0.273   2.102  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.594   0.634   2.657  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.730   1.974   2.339  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.976  -0.129   2.747  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.064  -0.934   1.455  1.00  0.00           H  
HETATM  103  H   UNL     1     -12.301  -1.061  -2.391  1.00  0.00           H  
CONECT    1   26  103                                                 
CONECT    2   26   26                                                 
CONECT    3   10   48   49   50                                       
CONECT    4    5   33   51   52                                       
CONECT    5    6    6    4   53                                       
CONECT    6    7    5    5   31                                       
CONECT    7   28    6   54   55                                       
CONECT    8   31   56   57   58                                       
CONECT    9   33   13   10   59                                       
CONECT   10    9   45   11    3                                       
CONECT   11   10   12   14   60                                       
CONECT   12   13   11   61   62                                       
CONECT   13    9   12   63   64                                       
CONECT   14   11   44   15   65                                       
CONECT   15   16   14   66   67                                       
CONECT   16   17   15   68   69                                       
CONECT   17   34   34   16   35                                       
CONECT   18   35   19   70   71                                       
CONECT   19   20   18   24   24                                       
CONECT   20   21   21   19   72                                       
CONECT   21   20   20   22   73                                       
CONECT   22   21   36   23   23                                       
CONECT   23   22   22   24   74                                       
CONECT   24   19   19   23   75                                       
CONECT   25   36   37   76   77                                       
CONECT   26    2    2   47   47                                       
CONECT   26    1   27                                                 
CONECT   27   26   28                                                 
CONECT   28   27    7   29   78                                       
CONECT   29   28   30   79   80                                       
CONECT   30   29   31   81   82                                       
CONECT   31    6   30   32    8                                       
CONECT   32   31   33   46   83                                       
CONECT   33    4   32    9   84                                       
CONECT   34   17   17                                                 
CONECT   35   17   18   85                                            
CONECT   36   22   25                                                 
CONECT   37   38   25   86   87                                       
CONECT   38   39   43   37                                            
CONECT   39   40   38   88   89                                       
CONECT   40   41   39   90   91                                       
CONECT   41   40   42                                                 
CONECT   42   41   43   92   93                                       
CONECT   43   42   38   94   95                                       
CONECT   44   14   96   97   98                                       
CONECT   45   46   10   99  100                                       
CONECT   46   32   45  101  102                                       
CONECT   47   26   26                                                 
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   13                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   16                                                      
CONECT   70   18                                                      
CONECT   71   18                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   25                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   30                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
CONECT   85   35                                                      
CONECT   86   37                                                      
CONECT   87   37                                                      
CONECT   88   39                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
CONECT   91   40                                                      
CONECT   92   42                                                      
CONECT   93   42                                                      
CONECT   94   43                                                      
CONECT   95   43                                                      
CONECT   96   44                                                      
CONECT   97   44                                                      
CONECT   98   44                                                      
CONECT   99   45                                                      
CONECT  100   45                                                      
CONECT  101   46                                                      
CONECT  102   46                                                      
CONECT  103    1                                                      
MASTER        0    0    0    0    0    0    0    0  103    0  103    0
END
