COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.478   1.570   0.152  1.00  0.00           C  
HETATM    2  C   UNL     1     -11.326   0.253   0.492  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.419   2.010  -0.861  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.485   0.831  -1.153  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.935   0.302   0.177  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.106  -0.009   1.112  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.567  -0.569   2.430  1.00  0.00           C  
HETATM    8  O   UNL     1     -10.212   0.463  -0.377  1.00  0.00           O  
HETATM    9  N   UNL     1      -9.074   2.435  -2.101  1.00  0.00           N  
HETATM   10  S   UNL     1      -9.401   4.038  -2.357  1.00  0.00           S  
HETATM   11  O   UNL     1     -10.009   4.503  -1.161  1.00  0.00           O  
HETATM   12  O   UNL     1      -9.975   4.112  -3.655  1.00  0.00           O  
HETATM   13  O   UNL     1      -8.067   4.764  -2.453  1.00  0.00           O  
HETATM   14  O   UNL     1      -6.404   1.265  -1.980  1.00  0.00           O  
HETATM   15  O   UNL     1      -6.180  -0.888  -0.056  1.00  0.00           O  
HETATM   16  O   UNL     1      -8.848   1.181   1.371  1.00  0.00           O  
HETATM   17  O   UNL     1      -8.660  -0.951   3.268  1.00  0.00           O  
HETATM   18  S   UNL     1      -8.063  -1.385   4.599  1.00  0.00           S  
HETATM   19  O   UNL     1      -9.151  -1.882   5.366  1.00  0.00           O  
HETATM   20  O   UNL     1      -6.884  -2.110   4.276  1.00  0.00           O  
HETATM   21  O   UNL     1      -7.591  -0.128   5.317  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.915  -0.706   0.583  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.209  -2.058   0.710  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.029  -2.662  -0.686  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.315  -1.636  -1.574  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.087  -0.316  -1.530  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.411   0.689  -2.426  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.931  -1.877   1.322  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.305  -2.976  -1.245  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.985  -1.429  -1.094  1.00  0.00           O  
HETATM   31  O   UNL     1      -4.115   0.184  -0.194  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.927   1.690  -1.955  1.00  0.00           O  
HETATM   33  O   UNL     1      -3.346   0.471  -3.749  1.00  0.00           O  
HETATM   34  S   UNL     1      -3.102  -2.193   2.801  1.00  0.00           S  
HETATM   35  O   UNL     1      -1.845  -1.915   3.403  1.00  0.00           O  
HETATM   36  O   UNL     1      -4.342  -1.612   3.179  1.00  0.00           O  
HETATM   37  O   UNL     1      -3.296  -3.698   2.925  1.00  0.00           O  
HETATM   38  N   UNL     1      -0.415  -3.519  -2.244  1.00  0.00           N  
HETATM   39  C   UNL     1      -1.166  -1.189  -2.240  1.00  0.00           C  
HETATM   40  S   UNL     1      -0.482  -4.330  -3.686  1.00  0.00           S  
HETATM   41  C   UNL     1       0.043  -2.128  -2.207  1.00  0.00           C  
HETATM   42  S   UNL     1      -0.644   4.124  -0.693  1.00  0.00           S  
HETATM   43  C   UNL     1       0.831  -1.882  -0.917  1.00  0.00           C  
HETATM   44  O   UNL     1       2.041  -2.642  -0.938  1.00  0.00           O  
HETATM   45  S   UNL     1       2.139  -3.352   0.404  1.00  0.00           S  
HETATM   46  C   UNL     1       1.163  -0.389  -0.823  1.00  0.00           C  
HETATM   47  O   UNL     1       1.769  -0.111   0.442  1.00  0.00           O  
HETATM   48  C   UNL     1      -0.129   0.419  -0.960  1.00  0.00           C  
HETATM   49  O   UNL     1      -0.723   0.167  -2.232  1.00  0.00           O  
HETATM   50  C   UNL     1       0.189   1.910  -0.834  1.00  0.00           C  
HETATM   51  O   UNL     1      -1.029   2.657  -0.819  1.00  0.00           O  
HETATM   52  O   UNL     1      -0.906  -5.649  -3.368  1.00  0.00           O  
HETATM   53  O   UNL     1       0.944  -4.466  -4.198  1.00  0.00           O  
HETATM   54  O   UNL     1      -1.136  -3.452  -4.593  1.00  0.00           O  
HETATM   55  O   UNL     1      -1.863   4.829  -0.500  1.00  0.00           O  
HETATM   56  O   UNL     1       0.472   4.156   0.186  1.00  0.00           O  
HETATM   57  O   UNL     1      -0.116   4.575  -2.048  1.00  0.00           O  
HETATM   58  O   UNL     1       3.399  -4.009   0.403  1.00  0.00           O  
HETATM   59  O   UNL     1       1.705  -2.407   1.373  1.00  0.00           O  
HETATM   60  O   UNL     1       1.095  -4.460   0.411  1.00  0.00           O  
HETATM   61  C   UNL     1       2.993   0.575   0.172  1.00  0.00           C  
HETATM   62  C   UNL     1       3.574   1.114   1.481  1.00  0.00           C  
HETATM   63  C   UNL     1       4.868   1.878   1.176  1.00  0.00           C  
HETATM   64  C   UNL     1       5.801   0.961   0.377  1.00  0.00           C  
HETATM   65  C   UNL     1       5.052   0.433  -0.848  1.00  0.00           C  
HETATM   66  C   UNL     1       5.973  -0.444  -1.657  1.00  0.00           C  
HETATM   67  O   UNL     1       2.632   1.995   2.096  1.00  0.00           O  
HETATM   68  O   UNL     1       5.502   2.260   2.398  1.00  0.00           O  
HETATM   69  O   UNL     1       6.951   1.697  -0.045  1.00  0.00           O  
HETATM   70  O   UNL     1       3.918  -0.327  -0.432  1.00  0.00           O  
HETATM   71  O   UNL     1       5.857  -1.646  -1.611  1.00  0.00           O  
HETATM   72  O   UNL     1       6.920   0.110  -2.429  1.00  0.00           O  
HETATM   73  C   UNL     1       7.875   1.681   1.044  1.00  0.00           C  
HETATM   74  C   UNL     1       9.029   2.640   0.746  1.00  0.00           C  
HETATM   75  C   UNL     1       9.717   2.208  -0.552  1.00  0.00           C  
HETATM   76  C   UNL     1      10.111   0.732  -0.430  1.00  0.00           C  
HETATM   77  C   UNL     1       8.875  -0.084  -0.044  1.00  0.00           C  
HETATM   78  C   UNL     1       9.253  -1.564   0.048  1.00  0.00           C  
HETATM   79  N   UNL     1       8.509   4.001   0.597  1.00  0.00           N  
HETATM   80  O   UNL     1      10.886   3.001  -0.767  1.00  0.00           O  
HETATM   81  O   UNL     1      10.620   0.266  -1.681  1.00  0.00           O  
HETATM   82  O   UNL     1       8.380   0.358   1.218  1.00  0.00           O  
HETATM   83  O   UNL     1       8.081  -2.340   0.308  1.00  0.00           O  
HETATM   84  S   UNL     1       8.517   5.037   1.889  1.00  0.00           S  
HETATM   85  O   UNL     1       7.980   4.300   2.978  1.00  0.00           O  
HETATM   86  O   UNL     1       8.008   6.270   1.398  1.00  0.00           O  
HETATM   87  O   UNL     1       9.972   5.305   2.248  1.00  0.00           O  
HETATM   88  S   UNL     1       8.525  -3.793   0.387  1.00  0.00           S  
HETATM   89  O   UNL     1       7.329  -4.558   0.465  1.00  0.00           O  
HETATM   90  O   UNL     1       9.534  -3.944  -0.602  1.00  0.00           O  
HETATM   91  O   UNL     1       9.225  -3.983   1.725  1.00  0.00           O  
HETATM   92  H   UNL     1     -10.161   2.398   0.345  1.00  0.00           H  
HETATM   93  H   UNL     1     -11.944   1.151   0.515  1.00  0.00           H  
HETATM   94  H   UNL     1     -11.919  -0.586   0.127  1.00  0.00           H  
HETATM   95  H   UNL     1     -10.967   0.034   1.498  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.268   5.699  -2.602  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.843   2.838  -0.450  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.315   1.777  -2.772  1.00  0.00           H  
HETATM   99  H   UNL     1      -8.040   0.041  -1.659  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.795   1.588  -2.804  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.295   1.057   0.633  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.757  -0.747   0.644  1.00  0.00           H  
HETATM  103  H   UNL     1      -6.943  -1.439   2.227  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.973   0.194   2.933  1.00  0.00           H  
HETATM  105  H   UNL     1      -7.214  -0.413   6.161  1.00  0.00           H  
HETATM  106  H   UNL     1      -5.068  -0.282   1.576  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.815  -2.727   1.322  1.00  0.00           H  
HETATM  108  H   UNL     1      -3.427  -3.568  -0.617  1.00  0.00           H  
HETATM  109  H   UNL     1      -3.280  -2.004  -2.599  1.00  0.00           H  
HETATM  110  H   UNL     1      -5.108  -0.481  -1.876  1.00  0.00           H  
HETATM  111  H   UNL     1      -5.718  -3.622  -0.656  1.00  0.00           H  
HETATM  112  H   UNL     1      -2.912   1.116  -4.325  1.00  0.00           H  
HETATM  113  H   UNL     1      -3.404  -3.889   3.867  1.00  0.00           H  
HETATM  114  H   UNL     1      -0.679  -3.965  -1.424  1.00  0.00           H  
HETATM  115  H   UNL     1      -1.744  -1.376  -3.145  1.00  0.00           H  
HETATM  116  H   UNL     1       0.682  -1.931  -3.067  1.00  0.00           H  
HETATM  117  H   UNL     1       0.229  -2.178  -0.058  1.00  0.00           H  
HETATM  118  H   UNL     1       1.851  -0.117  -1.624  1.00  0.00           H  
HETATM  119  H   UNL     1      -0.824   0.129  -0.172  1.00  0.00           H  
HETATM  120  H   UNL     1       0.736   2.088   0.092  1.00  0.00           H  
HETATM  121  H   UNL     1       0.798   2.225  -1.682  1.00  0.00           H  
HETATM  122  H   UNL     1       0.895  -4.940  -5.040  1.00  0.00           H  
HETATM  123  H   UNL     1       0.126   5.507  -1.958  1.00  0.00           H  
HETATM  124  H   UNL     1       1.165  -4.904   1.266  1.00  0.00           H  
HETATM  125  H   UNL     1       2.801   1.406  -0.508  1.00  0.00           H  
HETATM  126  H   UNL     1       3.791   0.284   2.154  1.00  0.00           H  
HETATM  127  H   UNL     1       4.639   2.767   0.589  1.00  0.00           H  
HETATM  128  H   UNL     1       6.113   0.124   1.002  1.00  0.00           H  
HETATM  129  H   UNL     1       4.721   1.272  -1.460  1.00  0.00           H  
HETATM  130  H   UNL     1       1.835   1.475   2.270  1.00  0.00           H  
HETATM  131  H   UNL     1       4.881   2.834   2.868  1.00  0.00           H  
HETATM  132  H   UNL     1       7.555  -0.452  -2.894  1.00  0.00           H  
HETATM  133  H   UNL     1       7.367   1.997   1.955  1.00  0.00           H  
HETATM  134  H   UNL     1       9.748   2.612   1.566  1.00  0.00           H  
HETATM  135  H   UNL     1       9.030   2.335  -1.390  1.00  0.00           H  
HETATM  136  H   UNL     1      10.876   0.621   0.339  1.00  0.00           H  
HETATM  137  H   UNL     1       8.104   0.046  -0.802  1.00  0.00           H  
HETATM  138  H   UNL     1       9.700  -1.884  -0.893  1.00  0.00           H  
HETATM  139  H   UNL     1       9.969  -1.706   0.858  1.00  0.00           H  
HETATM  140  H   UNL     1       8.161   4.296  -0.259  1.00  0.00           H  
HETATM  141  H   UNL     1      11.291   2.686  -1.586  1.00  0.00           H  
HETATM  142  H   UNL     1      10.849  -0.666  -1.561  1.00  0.00           H  
HETATM  143  H   UNL     1       9.966   5.910   3.003  1.00  0.00           H  
HETATM  144  H   UNL     1       9.502  -4.909   1.766  1.00  0.00           H  
CONECT    1   16    3    8   92                                       
CONECT    2    8   93   94   95                                       
CONECT    3    4    1    9   97                                       
CONECT    4    5   14    3   99                                       
CONECT    5   15    6    4  101                                       
CONECT    6    5   16    7  102                                       
CONECT    7    6   17  103  104                                       
CONECT    8    1    2                                                 
CONECT    9    3   10   98                                            
CONECT   10   11   11   12   12                                       
CONECT   10   13    9                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   10   96                                                 
CONECT   14    4  100                                                 
CONECT   15   22    5                                                 
CONECT   16    6    1                                                 
CONECT   17    7   18                                                 
CONECT   18   17   19   19   21                                       
CONECT   18   20   20                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   18  105                                                 
CONECT   22   31   23   15  106                                       
CONECT   23   24   28   22  107                                       
CONECT   24   25   29   23  108                                       
CONECT   25   30   26   24  109                                       
CONECT   26   25   31   27  110                                       
CONECT   27   26   33   32   32                                       
CONECT   28   23   34                                                 
CONECT   29   24  111                                                 
CONECT   30   39   25                                                 
CONECT   31   26   22                                                 
CONECT   32   27   27                                                 
CONECT   33   27  112                                                 
CONECT   34   28   37   35   35                                       
CONECT   34   36   36                                                 
CONECT   35   34   34                                                 
CONECT   36   34   34                                                 
CONECT   37   34  113                                                 
CONECT   38   41   40  114                                            
CONECT   39   49   41   30  115                                       
CONECT   40   53   52   52   54                                       
CONECT   40   54   38                                                 
CONECT   41   43   39   38  116                                       
CONECT   42   51   55   55   57                                       
CONECT   42   56   56                                                 
CONECT   43   46   44   41  117                                       
CONECT   44   43   45                                                 
CONECT   45   44   60   58   58                                       
CONECT   45   59   59                                                 
CONECT   46   47   48   43  118                                       
CONECT   47   61   46                                                 
CONECT   48   46   49   50  119                                       
CONECT   49   48   39                                                 
CONECT   50   48   51  120  121                                       
CONECT   51   50   42                                                 
CONECT   52   40   40                                                 
CONECT   53   40  122                                                 
CONECT   54   40   40                                                 
CONECT   55   42   42                                                 
CONECT   56   42   42                                                 
CONECT   57   42  123                                                 
CONECT   58   45   45                                                 
CONECT   59   45   45                                                 
CONECT   60   45  124                                                 
CONECT   61   70   62   47  125                                       
CONECT   62   63   67   61  126                                       
CONECT   63   64   68   62  127                                       
CONECT   64   69   65   63  128                                       
CONECT   65   64   70   66  129                                       
CONECT   66   65   72   71   71                                       
CONECT   67   62  130                                                 
CONECT   68   63  131                                                 
CONECT   69   73   64                                                 
CONECT   70   65   61                                                 
CONECT   71   66   66                                                 
CONECT   72   66  132                                                 
CONECT   73   82   74   69  133                                       
CONECT   74   75   73   79  134                                       
CONECT   75   76   80   74  135                                       
CONECT   76   81   77   75  136                                       
CONECT   77   76   82   78  137                                       
CONECT   78   77   83  138  139                                       
CONECT   79   74   84  140                                            
CONECT   80   75  141                                                 
CONECT   81   76  142                                                 
CONECT   82   77   73                                                 
CONECT   83   78   88                                                 
CONECT   84   85   85   86   86                                       
CONECT   84   87   79                                                 
CONECT   85   84   84                                                 
CONECT   86   84   84                                                 
CONECT   87   84  143                                                 
CONECT   88   83   91   89   89                                       
CONECT   88   90   90                                                 
CONECT   89   88   88                                                 
CONECT   90   88   88                                                 
CONECT   91   88  144                                                 
CONECT   92    1                                                      
CONECT   93    2                                                      
CONECT   94    2                                                      
CONECT   95    2                                                      
CONECT   96   13                                                      
CONECT   97    3                                                      
CONECT   98    9                                                      
CONECT   99    4                                                      
CONECT  100   14                                                      
CONECT  101    5                                                      
CONECT  102    6                                                      
CONECT  103    7                                                      
CONECT  104    7                                                      
CONECT  105   21                                                      
CONECT  106   22                                                      
CONECT  107   23                                                      
CONECT  108   24                                                      
CONECT  109   25                                                      
CONECT  110   26                                                      
CONECT  111   29                                                      
CONECT  112   33                                                      
CONECT  113   37                                                      
CONECT  114   38                                                      
CONECT  115   39                                                      
CONECT  116   41                                                      
CONECT  117   43                                                      
CONECT  118   46                                                      
CONECT  119   48                                                      
CONECT  120   50                                                      
CONECT  121   50                                                      
CONECT  122   53                                                      
CONECT  123   57                                                      
CONECT  124   60                                                      
CONECT  125   61                                                      
CONECT  126   62                                                      
CONECT  127   63                                                      
CONECT  128   64                                                      
CONECT  129   65                                                      
CONECT  130   67                                                      
CONECT  131   68                                                      
CONECT  132   72                                                      
CONECT  133   73                                                      
CONECT  134   74                                                      
CONECT  135   75                                                      
CONECT  136   76                                                      
CONECT  137   77                                                      
CONECT  138   78                                                      
CONECT  139   78                                                      
CONECT  140   79                                                      
CONECT  141   80                                                      
CONECT  142   81                                                      
CONECT  143   87                                                      
CONECT  144   91                                                      
MASTER        0    0    0    0    0    0    0    0  144    0  144    0
END
