COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.787   2.853  -0.071  1.00  0.00           C  
HETATM    2  C   UNL     1       7.589  -1.045   4.420  1.00  0.00           C  
HETATM    3  C   UNL     1      10.153   2.484  -0.161  1.00  0.00           C  
HETATM    4  C   UNL     1      11.362   2.216   0.739  1.00  0.00           C  
HETATM    5  C   UNL     1       6.576   2.031   0.374  1.00  0.00           C  
HETATM    6  C   UNL     1      11.274   0.789   1.289  1.00  0.00           C  
HETATM    7  C   UNL     1      11.193  -0.193   0.116  1.00  0.00           C  
HETATM    8  C   UNL     1       9.991   0.168  -0.760  1.00  0.00           C  
HETATM    9  C   UNL     1       9.938  -0.772  -1.966  1.00  0.00           C  
HETATM   10  C   UNL     1       6.258  -0.254   1.027  1.00  0.00           C  
HETATM   11  C   UNL     1       6.634  -1.130   3.227  1.00  0.00           C  
HETATM   12  N   UNL     1       2.667   3.908  -0.504  1.00  0.00           N  
HETATM   13  C   UNL     1       7.552   4.328   0.263  1.00  0.00           C  
HETATM   14  C   UNL     1       8.565   6.612   0.227  1.00  0.00           C  
HETATM   15  C   UNL     1       8.763   5.151  -0.182  1.00  0.00           C  
HETATM   16  O   UNL     1       8.954   2.390   0.610  1.00  0.00           O  
HETATM   17  O   UNL     1      11.365   3.147   1.824  1.00  0.00           O  
HETATM   18  O   UNL     1      12.434   0.506   2.073  1.00  0.00           O  
HETATM   19  O   UNL     1      12.391  -0.111  -0.659  1.00  0.00           O  
HETATM   20  O   UNL     1      10.120   1.517  -1.213  1.00  0.00           O  
HETATM   21  O   UNL     1       6.795   0.654   0.062  1.00  0.00           O  
HETATM   22  O   UNL     1       7.096  -0.270   2.184  1.00  0.00           O  
HETATM   23  O   UNL     1       7.547   0.273   4.970  1.00  0.00           O  
HETATM   24  C   UNL     1       6.585  -2.572   2.714  1.00  0.00           C  
HETATM   25  O   UNL     1       7.902  -2.996   2.356  1.00  0.00           O  
HETATM   26  C   UNL     1       5.674  -2.637   1.484  1.00  0.00           C  
HETATM   27  O   UNL     1       5.681  -3.964   0.954  1.00  0.00           O  
HETATM   28  C   UNL     1       4.706  -4.829   1.541  1.00  0.00           C  
HETATM   29  C   UNL     1       5.357  -5.670   2.608  1.00  0.00           C  
HETATM   30  O   UNL     1       6.535  -5.542   2.842  1.00  0.00           O  
HETATM   31  O   UNL     1       4.628  -6.561   3.298  1.00  0.00           O  
HETATM   32  C   UNL     1       4.117  -5.740   0.461  1.00  0.00           C  
HETATM   33  C   UNL     1       3.316  -4.899  -0.535  1.00  0.00           C  
HETATM   34  C   UNL     1       2.084  -4.319   0.162  1.00  0.00           C  
HETATM   35  C   UNL     1       1.283  -3.479  -0.835  1.00  0.00           C  
HETATM   36  C   UNL     1       0.840  -4.359  -2.005  1.00  0.00           C  
HETATM   37  C   UNL     1       2.073  -4.939  -2.702  1.00  0.00           C  
HETATM   38  C   UNL     1       2.874  -5.780  -1.705  1.00  0.00           C  
HETATM   39  C   UNL     1       6.194  -1.660   0.425  1.00  0.00           C  
HETATM   40  O   UNL     1       5.296  -1.659  -0.716  1.00  0.00           O  
HETATM   41  C   UNL     1       5.862  -1.666  -1.939  1.00  0.00           C  
HETATM   42  C   UNL     1       5.013  -1.597  -3.146  1.00  0.00           C  
HETATM   43  C   UNL     1       5.587  -1.698  -4.415  1.00  0.00           C  
HETATM   44  C   UNL     1       4.788  -1.633  -5.537  1.00  0.00           C  
HETATM   45  C   UNL     1       3.421  -1.467  -5.408  1.00  0.00           C  
HETATM   46  C   UNL     1       2.845  -1.366  -4.154  1.00  0.00           C  
HETATM   47  C   UNL     1       3.631  -1.435  -3.023  1.00  0.00           C  
HETATM   48  O   UNL     1       7.070  -1.729  -2.049  1.00  0.00           O  
HETATM   49  C   UNL     1       5.326   2.526  -0.355  1.00  0.00           C  
HETATM   50  C   UNL     1       5.092   4.001  -0.021  1.00  0.00           C  
HETATM   51  C   UNL     1       3.860   4.489  -0.740  1.00  0.00           C  
HETATM   52  O   UNL     1       3.943   5.405  -1.530  1.00  0.00           O  
HETATM   53  C   UNL     1       6.302   4.824  -0.466  1.00  0.00           C  
HETATM   54  O   UNL     1     -12.406  -4.759  -0.655  1.00  0.00           O  
HETATM   55  S   UNL     1     -12.952  -3.915   0.350  1.00  0.00           S  
HETATM   56  O   UNL     1     -14.337  -3.613   0.442  1.00  0.00           O  
HETATM   57  O   UNL     1     -12.555  -4.525   1.686  1.00  0.00           O  
HETATM   58  C   UNL     1     -12.115  -2.371   0.212  1.00  0.00           C  
HETATM   59  C   UNL     1     -12.709  -1.241   0.684  1.00  0.00           C  
HETATM   60  C   UNL     1     -12.044  -0.008   0.576  1.00  0.00           C  
HETATM   61  C   UNL     1     -12.628   1.179   1.052  1.00  0.00           C  
HETATM   62  C   UNL     1     -11.961   2.360   0.933  1.00  0.00           C  
HETATM   63  S   UNL     1     -12.706   3.839   1.535  1.00  0.00           S  
HETATM   64  O   UNL     1     -14.107   3.605   1.553  1.00  0.00           O  
HETATM   65  O   UNL     1     -12.279   4.000   2.987  1.00  0.00           O  
HETATM   66  O   UNL     1     -12.105   4.910   0.820  1.00  0.00           O  
HETATM   67  C   UNL     1     -10.701   2.418   0.345  1.00  0.00           C  
HETATM   68  C   UNL     1     -10.852  -2.325  -0.374  1.00  0.00           C  
HETATM   69  C   UNL     1     -10.178  -1.147  -0.496  1.00  0.00           C  
HETATM   70  S   UNL     1      -8.582  -1.113  -1.241  1.00  0.00           S  
HETATM   71  O   UNL     1      -8.754  -0.551  -2.534  1.00  0.00           O  
HETATM   72  O   UNL     1      -7.697  -0.572  -0.269  1.00  0.00           O  
HETATM   73  O   UNL     1      -8.153  -2.558  -1.454  1.00  0.00           O  
HETATM   74  C   UNL     1     -10.762   0.039  -0.025  1.00  0.00           C  
HETATM   75  C   UNL     1     -10.094   1.278  -0.135  1.00  0.00           C  
HETATM   76  N   UNL     1      -8.830   1.347  -0.724  1.00  0.00           N  
HETATM   77  C   UNL     1      -7.814   1.945  -0.070  1.00  0.00           C  
HETATM   78  O   UNL     1      -8.019   2.503   0.987  1.00  0.00           O  
HETATM   79  C   UNL     1      -6.425   1.921  -0.654  1.00  0.00           C  
HETATM   80  C   UNL     1      -5.467   2.665   0.279  1.00  0.00           C  
HETATM   81  N   UNL     1      -4.117   2.641  -0.288  1.00  0.00           N  
HETATM   82  C   UNL     1      -3.341   3.722  -0.535  1.00  0.00           C  
HETATM   83  N   UNL     1      -3.462   1.588  -0.632  1.00  0.00           N  
HETATM   84  N   UNL     1      -2.307   1.915  -1.094  1.00  0.00           N  
HETATM   85  C   UNL     1      -2.183   3.246  -1.048  1.00  0.00           C  
HETATM   86  C   UNL     1      -0.990   4.056  -1.487  1.00  0.00           C  
HETATM   87  C   UNL     1       0.260   3.560  -0.757  1.00  0.00           C  
HETATM   88  C   UNL     1       1.470   4.383  -1.202  1.00  0.00           C  
HETATM   89  H   UNL     1       7.926   2.742  -1.146  1.00  0.00           H  
HETATM   90  H   UNL     1       7.287  -1.766   5.179  1.00  0.00           H  
HETATM   91  H   UNL     1       8.603  -1.269   4.089  1.00  0.00           H  
HETATM   92  H   UNL     1      10.233   3.484  -0.589  1.00  0.00           H  
HETATM   93  H   UNL     1      12.279   2.329   0.161  1.00  0.00           H  
HETATM   94  H   UNL     1       6.437   2.142   1.450  1.00  0.00           H  
HETATM   95  H   UNL     1      10.382   0.692   1.908  1.00  0.00           H  
HETATM   96  H   UNL     1      11.074  -1.207   0.498  1.00  0.00           H  
HETATM   97  H   UNL     1       9.074   0.066  -0.179  1.00  0.00           H  
HETATM   98  H   UNL     1       9.898  -1.805  -1.620  1.00  0.00           H  
HETATM   99  H   UNL     1       9.050  -0.553  -2.559  1.00  0.00           H  
HETATM  100  H   UNL     1      10.828  -0.628  -2.578  1.00  0.00           H  
HETATM  101  H   UNL     1       5.255   0.067   1.309  1.00  0.00           H  
HETATM  102  H   UNL     1       5.636  -0.821   3.538  1.00  0.00           H  
HETATM  103  H   UNL     1       2.601   3.176   0.129  1.00  0.00           H  
HETATM  104  H   UNL     1       7.413   4.439   1.339  1.00  0.00           H  
HETATM  105  H   UNL     1       8.461   6.675   1.310  1.00  0.00           H  
HETATM  106  H   UNL     1       9.427   7.198  -0.091  1.00  0.00           H  
HETATM  107  H   UNL     1       7.665   7.003  -0.248  1.00  0.00           H  
HETATM  108  H   UNL     1       9.663   4.759   0.292  1.00  0.00           H  
HETATM  109  H   UNL     1       8.866   5.087  -1.265  1.00  0.00           H  
HETATM  110  H   UNL     1      11.414   4.072   1.548  1.00  0.00           H  
HETATM  111  H   UNL     1      12.550   1.096   2.830  1.00  0.00           H  
HETATM  112  H   UNL     1      12.408  -0.708  -1.420  1.00  0.00           H  
HETATM  113  H   UNL     1       8.130   0.399   5.732  1.00  0.00           H  
HETATM  114  H   UNL     1       6.191  -3.223   3.494  1.00  0.00           H  
HETATM  115  H   UNL     1       8.534  -2.975   3.087  1.00  0.00           H  
HETATM  116  H   UNL     1       4.659  -2.361   1.768  1.00  0.00           H  
HETATM  117  H   UNL     1       3.910  -4.231   1.985  1.00  0.00           H  
HETATM  118  H   UNL     1       5.090  -7.078   3.972  1.00  0.00           H  
HETATM  119  H   UNL     1       4.925  -6.252  -0.062  1.00  0.00           H  
HETATM  120  H   UNL     1       3.461  -6.476   0.926  1.00  0.00           H  
HETATM  121  H   UNL     1       3.939  -4.086  -0.907  1.00  0.00           H  
HETATM  122  H   UNL     1       1.461  -5.133   0.534  1.00  0.00           H  
HETATM  123  H   UNL     1       2.399  -3.692   0.996  1.00  0.00           H  
HETATM  124  H   UNL     1       0.405  -3.066  -0.338  1.00  0.00           H  
HETATM  125  H   UNL     1       1.906  -2.665  -1.207  1.00  0.00           H  
HETATM  126  H   UNL     1       0.217  -5.172  -1.633  1.00  0.00           H  
HETATM  127  H   UNL     1       0.270  -3.760  -2.715  1.00  0.00           H  
HETATM  128  H   UNL     1       1.758  -5.566  -3.536  1.00  0.00           H  
HETATM  129  H   UNL     1       2.696  -4.126  -3.074  1.00  0.00           H  
HETATM  130  H   UNL     1       3.752  -6.193  -2.202  1.00  0.00           H  
HETATM  131  H   UNL     1       2.251  -6.593  -1.333  1.00  0.00           H  
HETATM  132  H   UNL     1       7.190  -1.965   0.105  1.00  0.00           H  
HETATM  133  H   UNL     1       6.655  -1.827  -4.516  1.00  0.00           H  
HETATM  134  H   UNL     1       5.231  -1.712  -6.519  1.00  0.00           H  
HETATM  135  H   UNL     1       2.800  -1.416  -6.291  1.00  0.00           H  
HETATM  136  H   UNL     1       1.777  -1.237  -4.061  1.00  0.00           H  
HETATM  137  H   UNL     1       3.180  -1.360  -2.045  1.00  0.00           H  
HETATM  138  H   UNL     1       5.465   2.415  -1.431  1.00  0.00           H  
HETATM  139  H   UNL     1       4.464   1.940  -0.038  1.00  0.00           H  
HETATM  140  H   UNL     1       4.953   4.112   1.054  1.00  0.00           H  
HETATM  141  H   UNL     1       6.135   5.874  -0.228  1.00  0.00           H  
HETATM  142  H   UNL     1       6.441   4.713  -1.542  1.00  0.00           H  
HETATM  143  H   UNL     1     -13.687  -1.292   1.140  1.00  0.00           H  
HETATM  144  H   UNL     1     -13.605   1.154   1.512  1.00  0.00           H  
HETATM  145  H   UNL     1     -10.193   3.367   0.263  1.00  0.00           H  
HETATM  146  H   UNL     1     -10.400  -3.236  -0.737  1.00  0.00           H  
HETATM  147  H   UNL     1      -8.683   0.964  -1.603  1.00  0.00           H  
HETATM  148  H   UNL     1      -6.095   0.887  -0.763  1.00  0.00           H  
HETATM  149  H   UNL     1      -6.432   2.405  -1.630  1.00  0.00           H  
HETATM  150  H   UNL     1      -5.797   3.698   0.388  1.00  0.00           H  
HETATM  151  H   UNL     1      -5.460   2.181   1.255  1.00  0.00           H  
HETATM  152  H   UNL     1      -3.596   4.757  -0.359  1.00  0.00           H  
HETATM  153  H   UNL     1      -0.851   3.945  -2.562  1.00  0.00           H  
HETATM  154  H   UNL     1      -1.157   5.107  -1.248  1.00  0.00           H  
HETATM  155  H   UNL     1       0.121   3.671   0.319  1.00  0.00           H  
HETATM  156  H   UNL     1       0.427   2.510  -0.995  1.00  0.00           H  
HETATM  157  H   UNL     1       1.303   5.434  -0.964  1.00  0.00           H  
HETATM  158  H   UNL     1       1.609   4.272  -2.278  1.00  0.00           H  
HETATM  159  H   UNL     1     -12.963  -5.383   1.864  1.00  0.00           H  
HETATM  160  H   UNL     1     -12.636   4.789   3.417  1.00  0.00           H  
HETATM  161  H   UNL     1      -7.282  -2.654  -1.862  1.00  0.00           H  
CONECT    1   16    5   13   89                                       
CONECT    2   23   11   90   91                                       
CONECT    3    4   20   16   92                                       
CONECT    4    6   17    3   93                                       
CONECT    5   21    1   49   94                                       
CONECT    6   18    7    4   95                                       
CONECT    7   19    6    8   96                                       
CONECT    8    7    9   20   97                                       
CONECT    9    8   98   99  100                                       
CONECT   10   22   39   21  101                                       
CONECT   11    2   24   22  102                                       
CONECT   12   51   88  103                                            
CONECT   13    1   15   53  104                                       
CONECT   14   15  105  106  107                                       
CONECT   15   13   14  108  109                                       
CONECT   16    3    1                                                 
CONECT   17    4  110                                                 
CONECT   18    6  111                                                 
CONECT   19    7  112                                                 
CONECT   20    8    3                                                 
CONECT   21   10    5                                                 
CONECT   22   11   10                                                 
CONECT   23    2  113                                                 
CONECT   24   25   11   26  114                                       
CONECT   25   24  115                                                 
CONECT   26   24   27   39  116                                       
CONECT   27   28   26                                                 
CONECT   28   29   32   27  117                                       
CONECT   29   30   30   31   28                                       
CONECT   30   29   29                                                 
CONECT   31   29  118                                                 
CONECT   32   28   33  119  120                                       
CONECT   33   32   34   38  121                                       
CONECT   34   33   35  122  123                                       
CONECT   35   34   36  124  125                                       
CONECT   36   35   37  126  127                                       
CONECT   37   38   36  128  129                                       
CONECT   38   33   37  130  131                                       
CONECT   39   26   10   40  132                                       
CONECT   40   39   41                                                 
CONECT   41   40   48   48   42                                       
CONECT   42   41   47   47   43                                       
CONECT   43   42   44   44  133                                       
CONECT   44   43   43   45  134                                       
CONECT   45   46   46   44  135                                       
CONECT   46   47   45   45  136                                       
CONECT   47   42   42   46  137                                       
CONECT   48   41   41                                                 
CONECT   49    5   50  138  139                                       
CONECT   50   49   53   51  140                                       
CONECT   51   50   52   52   12                                       
CONECT   52   51   51                                                 
CONECT   53   13   50  141  142                                       
CONECT   54   55   55                                                 
CONECT   55   56   56   54   54                                       
CONECT   55   57   58                                                 
CONECT   56   55   55                                                 
CONECT   57   55  159                                                 
CONECT   58   55   68   68   59                                       
CONECT   59   58   60   60  143                                       
CONECT   60   59   59   74   61                                       
CONECT   61   60   62   62  144                                       
CONECT   62   61   61   67   63                                       
CONECT   63   62   66   66   64                                       
CONECT   63   64   65                                                 
CONECT   64   63   63                                                 
CONECT   65   63  160                                                 
CONECT   66   63   63                                                 
CONECT   67   75   75   62  145                                       
CONECT   68   58   58   69  146                                       
CONECT   69   68   70   74   74                                       
CONECT   70   71   71   69   72                                       
CONECT   70   72   73                                                 
CONECT   71   70   70                                                 
CONECT   72   70   70                                                 
CONECT   73   70  161                                                 
CONECT   74   69   69   60   75                                       
CONECT   75   74   67   67   76                                       
CONECT   76   75   77  147                                            
CONECT   77   78   78   76   79                                       
CONECT   78   77   77                                                 
CONECT   79   77   80  148  149                                       
CONECT   80   79   81  150  151                                       
CONECT   81   82   83   80                                            
CONECT   82   85   85   81  152                                       
CONECT   83   84   84   81                                            
CONECT   84   85   83   83                                            
CONECT   85   86   82   82   84                                       
CONECT   86   87   85  153  154                                       
CONECT   87   88   86  155  156                                       
CONECT   88   12   87  157  158                                       
CONECT   89    1                                                      
CONECT   90    2                                                      
CONECT   91    2                                                      
CONECT   92    3                                                      
CONECT   93    4                                                      
CONECT   94    5                                                      
CONECT   95    6                                                      
CONECT   96    7                                                      
CONECT   97    8                                                      
CONECT   98    9                                                      
CONECT   99    9                                                      
CONECT  100    9                                                      
CONECT  101   10                                                      
CONECT  102   11                                                      
CONECT  103   12                                                      
CONECT  104   13                                                      
CONECT  105   14                                                      
CONECT  106   14                                                      
CONECT  107   14                                                      
CONECT  108   15                                                      
CONECT  109   15                                                      
CONECT  110   17                                                      
CONECT  111   18                                                      
CONECT  112   19                                                      
CONECT  113   23                                                      
CONECT  114   24                                                      
CONECT  115   25                                                      
CONECT  116   26                                                      
CONECT  117   28                                                      
CONECT  118   31                                                      
CONECT  119   32                                                      
CONECT  120   32                                                      
CONECT  121   33                                                      
CONECT  122   34                                                      
CONECT  123   34                                                      
CONECT  124   35                                                      
CONECT  125   35                                                      
CONECT  126   36                                                      
CONECT  127   36                                                      
CONECT  128   37                                                      
CONECT  129   37                                                      
CONECT  130   38                                                      
CONECT  131   38                                                      
CONECT  132   39                                                      
CONECT  133   43                                                      
CONECT  134   44                                                      
CONECT  135   45                                                      
CONECT  136   46                                                      
CONECT  137   47                                                      
CONECT  138   49                                                      
CONECT  139   49                                                      
CONECT  140   50                                                      
CONECT  141   53                                                      
CONECT  142   53                                                      
CONECT  143   59                                                      
CONECT  144   61                                                      
CONECT  145   67                                                      
CONECT  146   68                                                      
CONECT  147   76                                                      
CONECT  148   79                                                      
CONECT  149   79                                                      
CONECT  150   80                                                      
CONECT  151   80                                                      
CONECT  152   82                                                      
CONECT  153   86                                                      
CONECT  154   86                                                      
CONECT  155   87                                                      
CONECT  156   87                                                      
CONECT  157   88                                                      
CONECT  158   88                                                      
CONECT  159   57                                                      
CONECT  160   65                                                      
CONECT  161   73                                                      
MASTER        0    0    0    0    0    0    0    0  161    0  161    0
END
