COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       4.334  18.012   0.947  1.00  0.00           C  
HETATM    2  C   UNL     1       4.812  16.662   1.487  1.00  0.00           C  
HETATM    3  C   UNL     1       4.629  15.589   0.411  1.00  0.00           C  
HETATM    4  C   UNL     1       5.107  14.240   0.951  1.00  0.00           C  
HETATM    5  C   UNL     1       4.924  13.167  -0.125  1.00  0.00           C  
HETATM    6  C   UNL     1       5.402  11.817   0.415  1.00  0.00           C  
HETATM    7  C   UNL     1       5.219  10.745  -0.661  1.00  0.00           C  
HETATM    8  C   UNL     1       5.697   9.395  -0.122  1.00  0.00           C  
HETATM    9  C   UNL     1       5.514   8.322  -1.197  1.00  0.00           C  
HETATM   10  C   UNL     1       5.992   6.973  -0.658  1.00  0.00           C  
HETATM   11  C   UNL     1       5.809   5.900  -1.733  1.00  0.00           C  
HETATM   12  C   UNL     1       6.287   4.550  -1.194  1.00  0.00           C  
HETATM   13  C   UNL     1       6.104   3.477  -2.269  1.00  0.00           C  
HETATM   14  C   UNL     1       6.575   2.148  -1.738  1.00  0.00           C  
HETATM   15  C   UNL     1       5.770   1.114  -1.753  1.00  0.00           C  
HETATM   16  C   UNL     1       6.241  -0.215  -1.222  1.00  0.00           C  
HETATM   17  O   UNL     1       7.545  -0.067  -0.656  1.00  0.00           O  
HETATM   18  C   UNL     1       5.271  -0.707  -0.146  1.00  0.00           C  
HETATM   19  C   UNL     1       5.801  -2.006   0.464  1.00  0.00           C  
HETATM   20  O   UNL     1       6.021  -2.964  -0.573  1.00  0.00           O  
HETATM   21  C   UNL     1       6.513  -4.149   0.057  1.00  0.00           C  
HETATM   22  C   UNL     1       6.648  -5.261  -0.985  1.00  0.00           C  
HETATM   23  O   UNL     1       5.376  -5.507  -1.589  1.00  0.00           O  
HETATM   24  O   UNL     1       7.786  -3.880   0.643  1.00  0.00           O  
HETATM   25  C   UNL     1       8.158  -5.024   1.410  1.00  0.00           C  
HETATM   26  C   UNL     1       9.424  -4.710   2.209  1.00  0.00           C  
HETATM   27  O   UNL     1       9.142  -3.687   3.166  1.00  0.00           O  
HETATM   28  C   UNL     1       8.426  -6.208   0.478  1.00  0.00           C  
HETATM   29  O   UNL     1       9.465  -5.867  -0.441  1.00  0.00           O  
HETATM   30  C   UNL     1       7.143  -6.536  -0.294  1.00  0.00           C  
HETATM   31  O   UNL     1       7.416  -7.541  -1.273  1.00  0.00           O  
HETATM   32  S   UNL     1       6.990  -8.871  -0.668  1.00  0.00           S  
HETATM   33  O   UNL     1       5.469  -8.892  -0.639  1.00  0.00           O  
HETATM   34  O   UNL     1       7.371  -9.864  -1.611  1.00  0.00           O  
HETATM   35  O   UNL     1       7.402  -8.827   0.691  1.00  0.00           O  
HETATM   36  N   UNL     1       3.957  -0.951  -0.748  1.00  0.00           N  
HETATM   37  C   UNL     1       2.847  -0.895   0.014  1.00  0.00           C  
HETATM   38  O   UNL     1       2.934  -0.644   1.197  1.00  0.00           O  
HETATM   39  C   UNL     1       1.496  -1.146  -0.605  1.00  0.00           C  
HETATM   40  C   UNL     1       0.412  -1.024   0.468  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.959  -1.279  -0.160  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.043  -1.157   0.913  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.414  -1.412   0.285  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.498  -1.290   1.358  1.00  0.00           C  
HETATM   45  C   UNL     1      -5.869  -1.544   0.730  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.953  -1.422   1.803  1.00  0.00           C  
HETATM   47  C   UNL     1      -8.324  -1.677   1.175  1.00  0.00           C  
HETATM   48  C   UNL     1      -9.407  -1.555   2.249  1.00  0.00           C  
HETATM   49  C   UNL     1     -10.779  -1.810   1.620  1.00  0.00           C  
HETATM   50  C   UNL     1     -11.862  -1.687   2.694  1.00  0.00           C  
HETATM   51  C   UNL     1     -13.234  -1.942   2.065  1.00  0.00           C  
HETATM   52  C   UNL     1     -14.301  -1.822   3.123  1.00  0.00           C  
HETATM   53  C   UNL     1     -15.323  -1.024   2.934  1.00  0.00           C  
HETATM   54  C   UNL     1     -15.518  -0.352   1.600  1.00  0.00           C  
HETATM   55  C   UNL     1     -16.932  -0.633   1.089  1.00  0.00           C  
HETATM   56  C   UNL     1     -17.130   0.049  -0.266  1.00  0.00           C  
HETATM   57  C   UNL     1     -18.544  -0.233  -0.777  1.00  0.00           C  
HETATM   58  C   UNL     1     -18.743   0.449  -2.132  1.00  0.00           C  
HETATM   59  C   UNL     1     -20.157   0.168  -2.643  1.00  0.00           C  
HETATM   60  C   UNL     1     -20.355   0.850  -3.998  1.00  0.00           C  
HETATM   61  C   UNL     1     -21.769   0.568  -4.509  1.00  0.00           C  
HETATM   62  H   UNL     1       3.280  17.943   0.678  1.00  0.00           H  
HETATM   63  H   UNL     1       4.464  18.776   1.713  1.00  0.00           H  
HETATM   64  H   UNL     1       4.917  18.278   0.066  1.00  0.00           H  
HETATM   65  H   UNL     1       5.866  16.731   1.755  1.00  0.00           H  
HETATM   66  H   UNL     1       4.229  16.396   2.368  1.00  0.00           H  
HETATM   67  H   UNL     1       3.575  15.521   0.142  1.00  0.00           H  
HETATM   68  H   UNL     1       5.212  15.856  -0.470  1.00  0.00           H  
HETATM   69  H   UNL     1       6.161  14.309   1.219  1.00  0.00           H  
HETATM   70  H   UNL     1       4.524  13.974   1.832  1.00  0.00           H  
HETATM   71  H   UNL     1       3.870  13.098  -0.394  1.00  0.00           H  
HETATM   72  H   UNL     1       5.507  13.433  -1.007  1.00  0.00           H  
HETATM   73  H   UNL     1       6.456  11.886   0.683  1.00  0.00           H  
HETATM   74  H   UNL     1       4.819  11.551   1.296  1.00  0.00           H  
HETATM   75  H   UNL     1       4.165  10.676  -0.930  1.00  0.00           H  
HETATM   76  H   UNL     1       5.802  11.011  -1.543  1.00  0.00           H  
HETATM   77  H   UNL     1       6.751   9.464   0.147  1.00  0.00           H  
HETATM   78  H   UNL     1       5.114   9.129   0.760  1.00  0.00           H  
HETATM   79  H   UNL     1       4.460   8.253  -1.466  1.00  0.00           H  
HETATM   80  H   UNL     1       6.097   8.588  -2.079  1.00  0.00           H  
HETATM   81  H   UNL     1       7.046   7.042  -0.389  1.00  0.00           H  
HETATM   82  H   UNL     1       5.409   6.707   0.224  1.00  0.00           H  
HETATM   83  H   UNL     1       4.755   5.831  -2.002  1.00  0.00           H  
HETATM   84  H   UNL     1       6.392   6.166  -2.615  1.00  0.00           H  
HETATM   85  H   UNL     1       7.341   4.619  -0.925  1.00  0.00           H  
HETATM   86  H   UNL     1       5.704   4.284  -0.312  1.00  0.00           H  
HETATM   87  H   UNL     1       5.050   3.409  -2.538  1.00  0.00           H  
HETATM   88  H   UNL     1       6.687   3.744  -3.151  1.00  0.00           H  
HETATM   89  H   UNL     1       7.576   2.048  -1.344  1.00  0.00           H  
HETATM   90  H   UNL     1       4.769   1.215  -2.146  1.00  0.00           H  
HETATM   91  H   UNL     1       6.279  -0.939  -2.036  1.00  0.00           H  
HETATM   92  H   UNL     1       7.481   0.628   0.014  1.00  0.00           H  
HETATM   93  H   UNL     1       5.178   0.050   0.633  1.00  0.00           H  
HETATM   94  H   UNL     1       6.741  -1.807   0.980  1.00  0.00           H  
HETATM   95  H   UNL     1       5.073  -2.398   1.174  1.00  0.00           H  
HETATM   96  H   UNL     1       5.816  -4.463   0.834  1.00  0.00           H  
HETATM   97  H   UNL     1       7.363  -4.960  -1.751  1.00  0.00           H  
HETATM   98  H   UNL     1       5.103  -4.681  -2.012  1.00  0.00           H  
HETATM   99  H   UNL     1       7.350  -5.278   2.096  1.00  0.00           H  
HETATM  100  H   UNL     1       9.759  -5.609   2.726  1.00  0.00           H  
HETATM  101  H   UNL     1      10.206  -4.368   1.531  1.00  0.00           H  
HETATM  102  H   UNL     1       9.964  -3.520   3.647  1.00  0.00           H  
HETATM  103  H   UNL     1       8.729  -7.074   1.067  1.00  0.00           H  
HETATM  104  H   UNL     1      10.249  -5.662   0.087  1.00  0.00           H  
HETATM  105  H   UNL     1       6.382  -6.897   0.398  1.00  0.00           H  
HETATM  106  H   UNL     1       5.208  -9.739  -0.254  1.00  0.00           H  
HETATM  107  H   UNL     1       3.887  -1.152  -1.694  1.00  0.00           H  
HETATM  108  H   UNL     1       1.314  -0.413  -1.390  1.00  0.00           H  
HETATM  109  H   UNL     1       1.472  -2.149  -1.032  1.00  0.00           H  
HETATM  110  H   UNL     1       0.594  -1.758   1.253  1.00  0.00           H  
HETATM  111  H   UNL     1       0.436  -0.022   0.896  1.00  0.00           H  
HETATM  112  H   UNL     1      -1.141  -0.545  -0.945  1.00  0.00           H  
HETATM  113  H   UNL     1      -0.983  -2.282  -0.587  1.00  0.00           H  
HETATM  114  H   UNL     1      -1.861  -1.891   1.698  1.00  0.00           H  
HETATM  115  H   UNL     1      -2.019  -0.154   1.341  1.00  0.00           H  
HETATM  116  H   UNL     1      -3.596  -0.678  -0.500  1.00  0.00           H  
HETATM  117  H   UNL     1      -3.437  -2.414  -0.142  1.00  0.00           H  
HETATM  118  H   UNL     1      -4.316  -2.023   2.143  1.00  0.00           H  
HETATM  119  H   UNL     1      -4.474  -0.287   1.786  1.00  0.00           H  
HETATM  120  H   UNL     1      -6.051  -0.810  -0.055  1.00  0.00           H  
HETATM  121  H   UNL     1      -5.892  -2.547   0.303  1.00  0.00           H  
HETATM  122  H   UNL     1      -6.771  -2.156   2.589  1.00  0.00           H  
HETATM  123  H   UNL     1      -6.929  -0.420   2.231  1.00  0.00           H  
HETATM  124  H   UNL     1      -8.506  -0.943   0.390  1.00  0.00           H  
HETATM  125  H   UNL     1      -8.347  -2.679   0.748  1.00  0.00           H  
HETATM  126  H   UNL     1      -9.225  -2.289   3.034  1.00  0.00           H  
HETATM  127  H   UNL     1      -9.384  -0.552   2.676  1.00  0.00           H  
HETATM  128  H   UNL     1     -10.961  -1.076   0.835  1.00  0.00           H  
HETATM  129  H   UNL     1     -10.802  -2.812   1.193  1.00  0.00           H  
HETATM  130  H   UNL     1     -11.680  -2.421   3.479  1.00  0.00           H  
HETATM  131  H   UNL     1     -11.839  -0.685   3.121  1.00  0.00           H  
HETATM  132  H   UNL     1     -13.416  -1.208   1.280  1.00  0.00           H  
HETATM  133  H   UNL     1     -13.257  -2.945   1.638  1.00  0.00           H  
HETATM  134  H   UNL     1     -14.224  -2.394   4.036  1.00  0.00           H  
HETATM  135  H   UNL     1     -16.025  -0.847   3.736  1.00  0.00           H  
HETATM  136  H   UNL     1     -15.379   0.724   1.711  1.00  0.00           H  
HETATM  137  H   UNL     1     -14.790  -0.740   0.887  1.00  0.00           H  
HETATM  138  H   UNL     1     -17.071  -1.709   0.978  1.00  0.00           H  
HETATM  139  H   UNL     1     -17.660  -0.245   1.801  1.00  0.00           H  
HETATM  140  H   UNL     1     -16.992   1.124  -0.155  1.00  0.00           H  
HETATM  141  H   UNL     1     -16.402  -0.339  -0.979  1.00  0.00           H  
HETATM  142  H   UNL     1     -18.683  -1.308  -0.888  1.00  0.00           H  
HETATM  143  H   UNL     1     -19.272   0.156  -0.065  1.00  0.00           H  
HETATM  144  H   UNL     1     -18.604   1.525  -2.021  1.00  0.00           H  
HETATM  145  H   UNL     1     -18.015   0.061  -2.845  1.00  0.00           H  
HETATM  146  H   UNL     1     -20.295  -0.908  -2.754  1.00  0.00           H  
HETATM  147  H   UNL     1     -20.885   0.556  -1.931  1.00  0.00           H  
HETATM  148  H   UNL     1     -20.216   1.925  -3.887  1.00  0.00           H  
HETATM  149  H   UNL     1     -19.627   0.462  -4.711  1.00  0.00           H  
HETATM  150  H   UNL     1     -21.908  -0.507  -4.620  1.00  0.00           H  
HETATM  151  H   UNL     1     -22.497   0.957  -3.797  1.00  0.00           H  
HETATM  152  H   UNL     1     -21.910   1.054  -5.475  1.00  0.00           H  
CONECT    1    2   62   63   64                                       
CONECT    2    1    3   65   66                                       
CONECT    3    2    4   67   68                                       
CONECT    4    3    5   69   70                                       
CONECT    5    4    6   71   72                                       
CONECT    6    5    7   73   74                                       
CONECT    7    6    8   75   76                                       
CONECT    8    7    9   77   78                                       
CONECT    9    8   10   79   80                                       
CONECT   10    9   11   81   82                                       
CONECT   11   10   12   83   84                                       
CONECT   12   11   13   85   86                                       
CONECT   13   12   14   87   88                                       
CONECT   14   13   15   15   89                                       
CONECT   15   14   14   16   90                                       
CONECT   16   15   17   18   91                                       
CONECT   17   16   92                                                 
CONECT   18   16   19   36   93                                       
CONECT   19   18   20   94   95                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   24   96                                       
CONECT   22   21   23   30   97                                       
CONECT   23   22   98                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26   28   99                                       
CONECT   26   25   27  100  101                                       
CONECT   27   26  102                                                 
CONECT   28   25   29   30  103                                       
CONECT   29   28  104                                                 
CONECT   30   22   28   31  105                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   34   34                                       
CONECT   32   35   35                                                 
CONECT   33   32  106                                                 
CONECT   34   32   32                                                 
CONECT   35   32   32                                                 
CONECT   36   18   37  107                                            
CONECT   37   36   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   40  108  109                                       
CONECT   40   39   41  110  111                                       
CONECT   41   40   42  112  113                                       
CONECT   42   41   43  114  115                                       
CONECT   43   42   44  116  117                                       
CONECT   44   43   45  118  119                                       
CONECT   45   44   46  120  121                                       
CONECT   46   45   47  122  123                                       
CONECT   47   46   48  124  125                                       
CONECT   48   47   49  126  127                                       
CONECT   49   48   50  128  129                                       
CONECT   50   49   51  130  131                                       
CONECT   51   50   52  132  133                                       
CONECT   52   51   53   53  134                                       
CONECT   53   52   52   54  135                                       
CONECT   54   53   55  136  137                                       
CONECT   55   54   56  138  139                                       
CONECT   56   55   57  140  141                                       
CONECT   57   56   58  142  143                                       
CONECT   58   57   59  144  145                                       
CONECT   59   58   60  146  147                                       
CONECT   60   59   61  148  149                                       
CONECT   61   60  150  151  152                                       
CONECT   62    1                                                      
CONECT   63    1                                                      
CONECT   64    1                                                      
CONECT   65    2                                                      
CONECT   66    2                                                      
CONECT   67    3                                                      
CONECT   68    3                                                      
CONECT   69    4                                                      
CONECT   70    4                                                      
CONECT   71    5                                                      
CONECT   72    5                                                      
CONECT   73    6                                                      
CONECT   74    6                                                      
CONECT   75    7                                                      
CONECT   76    7                                                      
CONECT   77    8                                                      
CONECT   78    8                                                      
CONECT   79    9                                                      
CONECT   80    9                                                      
CONECT   81   10                                                      
CONECT   82   10                                                      
CONECT   83   11                                                      
CONECT   84   11                                                      
CONECT   85   12                                                      
CONECT   86   12                                                      
CONECT   87   13                                                      
CONECT   88   13                                                      
CONECT   89   14                                                      
CONECT   90   15                                                      
CONECT   91   16                                                      
CONECT   92   17                                                      
CONECT   93   18                                                      
CONECT   94   19                                                      
CONECT   95   19                                                      
CONECT   96   21                                                      
CONECT   97   22                                                      
CONECT   98   23                                                      
CONECT   99   25                                                      
CONECT  100   26                                                      
CONECT  101   26                                                      
CONECT  102   27                                                      
CONECT  103   28                                                      
CONECT  104   29                                                      
CONECT  105   30                                                      
CONECT  106   33                                                      
CONECT  107   36                                                      
CONECT  108   39                                                      
CONECT  109   39                                                      
CONECT  110   40                                                      
CONECT  111   40                                                      
CONECT  112   41                                                      
CONECT  113   41                                                      
CONECT  114   42                                                      
CONECT  115   42                                                      
CONECT  116   43                                                      
CONECT  117   43                                                      
CONECT  118   44                                                      
CONECT  119   44                                                      
CONECT  120   45                                                      
CONECT  121   45                                                      
CONECT  122   46                                                      
CONECT  123   46                                                      
CONECT  124   47                                                      
CONECT  125   47                                                      
CONECT  126   48                                                      
CONECT  127   48                                                      
CONECT  128   49                                                      
CONECT  129   49                                                      
CONECT  130   50                                                      
CONECT  131   50                                                      
CONECT  132   51                                                      
CONECT  133   51                                                      
CONECT  134   52                                                      
CONECT  135   53                                                      
CONECT  136   54                                                      
CONECT  137   54                                                      
CONECT  138   55                                                      
CONECT  139   55                                                      
CONECT  140   56                                                      
CONECT  141   56                                                      
CONECT  142   57                                                      
CONECT  143   57                                                      
CONECT  144   58                                                      
CONECT  145   58                                                      
CONECT  146   59                                                      
CONECT  147   59                                                      
CONECT  148   60                                                      
CONECT  149   60                                                      
CONECT  150   61                                                      
CONECT  151   61                                                      
CONECT  152   61                                                      
MASTER        0    0    0    0    0    0    0    0  152    0  152    0
END
