COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.329   3.591   0.278  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.158   4.469   0.179  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.838   4.071   0.216  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.056   5.227   0.083  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.899   6.288  -0.030  1.00  0.00           C  
HETATM    6  O   UNL     1      -9.447   4.070   0.328  1.00  0.00           O  
HETATM    7  O   UNL     1     -13.444  -0.447   0.287  1.00  0.00           O  
HETATM    8  C   UNL     1     -12.870   0.622   0.191  1.00  0.00           C  
HETATM    9  O   UNL     1     -19.335   0.497  -0.624  1.00  0.00           O  
HETATM   10  C   UNL     1     -21.717  -9.159  -0.221  1.00  0.00           C  
HETATM   11  C   UNL     1     -20.526  -8.220  -0.021  1.00  0.00           C  
HETATM   12  C   UNL     1     -20.960  -6.780  -0.300  1.00  0.00           C  
HETATM   13  N   UNL     1     -19.819  -5.880  -0.109  1.00  0.00           N  
HETATM   14  N   UNL     1     -21.300 -10.542   0.047  1.00  0.00           N1+
HETATM   15  C   UNL     1     -20.931 -10.677   1.462  1.00  0.00           C  
HETATM   16  C   UNL     1     -22.409 -11.456  -0.260  1.00  0.00           C  
HETATM   17  C   UNL     1     -18.235   0.036  -0.383  1.00  0.00           C  
HETATM   18  N   UNL     1     -18.087  -1.290  -0.191  1.00  0.00           N  
HETATM   19  C   UNL     1     -14.979   1.697  -0.108  1.00  0.00           C  
HETATM   20  N   UNL     1     -17.088   2.297  -0.379  1.00  0.00           N  
HETATM   21  C   UNL     1     -15.758   0.531  -0.133  1.00  0.00           C  
HETATM   22  N   UNL     1     -13.582   1.757   0.045  1.00  0.00           N  
HETATM   23  C   UNL     1     -15.815   2.757  -0.263  1.00  0.00           C  
HETATM   24  N   UNL     1     -10.555  -0.405   0.278  1.00  0.00           N  
HETATM   25  O   UNL     1      -3.499   3.078   0.313  1.00  0.00           O  
HETATM   26  C   UNL     1     -18.282   3.126  -0.561  1.00  0.00           C  
HETATM   27  N   UNL     1      -8.168   2.253   0.309  1.00  0.00           N  
HETATM   28  O   UNL     1       3.109   4.206   0.169  1.00  0.00           O  
HETATM   29  C   UNL     1     -17.070   0.924  -0.300  1.00  0.00           C  
HETATM   30  N   UNL     1      -7.179   5.836   0.027  1.00  0.00           N  
HETATM   31  O   UNL     1       9.005   7.673  -0.122  1.00  0.00           O  
HETATM   32  O   UNL     1      10.359   1.817   0.389  1.00  0.00           O  
HETATM   33  C   UNL     1      -9.292   1.409   0.287  1.00  0.00           C  
HETATM   34  N   UNL     1      -3.651   5.281   0.069  1.00  0.00           N  
HETATM   35  O   UNL     1      16.003  -0.221  -0.267  1.00  0.00           O  
HETATM   36  C   UNL     1      -9.275   0.050   0.313  1.00  0.00           C  
HETATM   37  N   UNL     1      -0.620   3.132   0.292  1.00  0.00           N  
HETATM   38  O   UNL     1      17.308  -6.105  -0.082  1.00  0.00           O  
HETATM   39  C   UNL     1     -10.962  -1.812   0.292  1.00  0.00           C  
HETATM   40  N   UNL     1      -0.732   5.293   0.052  1.00  0.00           N  
HETATM   41  C   UNL     1     -11.406   0.676   0.234  1.00  0.00           C  
HETATM   42  N   UNL     1       1.638   5.857  -0.008  1.00  0.00           N  
HETATM   43  C   UNL     1     -10.633   1.818   0.237  1.00  0.00           C  
HETATM   44  N   UNL     1       7.811   5.803  -0.010  1.00  0.00           N  
HETATM   45  N   UNL     1      11.504   6.232  -0.285  1.00  0.00           N  
HETATM   46  N   UNL     1      12.330   2.769   0.003  1.00  0.00           N  
HETATM   47  C   UNL     1      -8.382   6.667  -0.063  1.00  0.00           C  
HETATM   48  N   UNL     1      11.463  -0.849   0.239  1.00  0.00           N  
HETATM   49  N   UNL     1      14.805  -2.079  -0.045  1.00  0.00           N  
HETATM   50  C   UNL     1      -2.932   4.147   0.191  1.00  0.00           C  
HETATM   51  N   UNL     1      18.507  -1.656  -0.144  1.00  0.00           N  
HETATM   52  C   UNL     1      -1.461   4.202   0.177  1.00  0.00           C  
HETATM   53  C   UNL     1       0.560   4.965   0.091  1.00  0.00           C  
HETATM   54  N   UNL     1      19.308  -5.137  -0.099  1.00  0.00           N  
HETATM   55  C   UNL     1       0.652   3.614   0.237  1.00  0.00           C  
HETATM   56  C   UNL     1      -1.013   1.730   0.450  1.00  0.00           C  
HETATM   57  C   UNL     1       2.903   5.394   0.041  1.00  0.00           C  
HETATM   58  C   UNL     1     -19.228  -2.189  -0.382  1.00  0.00           C  
HETATM   59  C   UNL     1       8.987   6.457  -0.083  1.00  0.00           C  
HETATM   60  C   UNL     1      11.747   4.046  -0.077  1.00  0.00           C  
HETATM   61  C   UNL     1      10.379   4.338   0.019  1.00  0.00           C  
HETATM   62  C   UNL     1      12.408   5.219  -0.264  1.00  0.00           C  
HETATM   63  C   UNL     1      11.816   7.652  -0.465  1.00  0.00           C  
HETATM   64  C   UNL     1      10.245   5.704  -0.115  1.00  0.00           C  
HETATM   65  C   UNL     1      11.553   1.684   0.192  1.00  0.00           C  
HETATM   66  C   UNL     1      13.489   0.049   0.046  1.00  0.00           C  
HETATM   67  C   UNL     1      13.607  -1.348   0.052  1.00  0.00           C  
HETATM   68  C   UNL     1      12.358  -1.869   0.176  1.00  0.00           C  
HETATM   69  C   UNL     1      10.011  -0.994   0.374  1.00  0.00           C  
HETATM   70  C   UNL     1      12.146   0.343   0.160  1.00  0.00           C  
HETATM   71  C   UNL     1      15.982  -1.433  -0.155  1.00  0.00           C  
HETATM   72  C   UNL     1      18.733  -3.853  -0.115  1.00  0.00           C  
HETATM   73  C   UNL     1      19.407  -2.674  -0.131  1.00  0.00           C  
HETATM   74  C   UNL     1      18.833  -0.228  -0.164  1.00  0.00           C  
HETATM   75  C   UNL     1      17.239  -2.189  -0.140  1.00  0.00           C  
HETATM   76  C   UNL     1      18.519  -6.229  -0.083  1.00  0.00           C  
HETATM   77  C   UNL     1       4.061   6.352  -0.065  1.00  0.00           C  
HETATM   78  C   UNL     1       5.376   5.575   0.018  1.00  0.00           C  
HETATM   79  C   UNL     1       6.552   6.548  -0.089  1.00  0.00           C  
HETATM   80  C   UNL     1      17.361  -3.562  -0.120  1.00  0.00           C  
HETATM   81  C   UNL     1     -18.794  -3.629  -0.104  1.00  0.00           C  
HETATM   82  C   UNL     1     -19.967  -4.554  -0.300  1.00  0.00           C  
HETATM   83  O   UNL     1     -21.044  -4.106  -0.631  1.00  0.00           O  
HETATM   84  C   UNL     1      19.121  -7.573  -0.067  1.00  0.00           C  
HETATM   85  C   UNL     1      18.390  -8.710  -0.050  1.00  0.00           C  
HETATM   86  C   UNL     1      16.885  -8.786  -0.046  1.00  0.00           C  
HETATM   87  S   UNL     1      19.452 -10.049  -0.036  1.00  0.00           S  
HETATM   88  C   UNL     1      20.811  -9.014  -0.052  1.00  0.00           C  
HETATM   89  N   UNL     1      20.440  -7.782  -0.072  1.00  0.00           N  
HETATM   90  H   UNL     1      -5.475   3.060   0.327  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.601   7.319  -0.146  1.00  0.00           H  
HETATM   92  H   UNL     1     -22.517  -8.882   0.465  1.00  0.00           H  
HETATM   93  H   UNL     1     -22.074  -9.080  -1.247  1.00  0.00           H  
HETATM   94  H   UNL     1     -20.168  -8.300   1.005  1.00  0.00           H  
HETATM   95  H   UNL     1     -19.725  -8.498  -0.707  1.00  0.00           H  
HETATM   96  H   UNL     1     -21.317  -6.700  -1.326  1.00  0.00           H  
HETATM   97  H   UNL     1     -21.760  -6.502   0.386  1.00  0.00           H  
HETATM   98  H   UNL     1     -18.958  -6.239   0.155  1.00  0.00           H  
HETATM   99  H   UNL     1     -20.506 -10.772  -0.531  1.00  0.00           H  
HETATM  100  H   UNL     1     -20.622 -11.704   1.661  1.00  0.00           H  
HETATM  101  H   UNL     1     -20.109 -10.000   1.690  1.00  0.00           H  
HETATM  102  H   UNL     1     -21.790 -10.429   2.087  1.00  0.00           H  
HETATM  103  H   UNL     1     -22.683 -11.356  -1.310  1.00  0.00           H  
HETATM  104  H   UNL     1     -22.100 -12.482  -0.061  1.00  0.00           H  
HETATM  105  H   UNL     1     -23.267 -11.208   0.365  1.00  0.00           H  
HETATM  106  H   UNL     1     -17.225  -1.648   0.073  1.00  0.00           H  
HETATM  107  H   UNL     1     -15.399  -0.483  -0.039  1.00  0.00           H  
HETATM  108  H   UNL     1     -13.131   2.616   0.045  1.00  0.00           H  
HETATM  109  H   UNL     1     -15.516   3.795  -0.290  1.00  0.00           H  
HETATM  110  H   UNL     1     -18.517   3.197  -1.623  1.00  0.00           H  
HETATM  111  H   UNL     1     -19.122   2.675  -0.032  1.00  0.00           H  
HETATM  112  H   UNL     1     -18.096   4.124  -0.163  1.00  0.00           H  
HETATM  113  H   UNL     1      -7.276   1.873   0.347  1.00  0.00           H  
HETATM  114  H   UNL     1      -3.198   6.133  -0.028  1.00  0.00           H  
HETATM  115  H   UNL     1      -8.389  -0.567   0.356  1.00  0.00           H  
HETATM  116  H   UNL     1     -11.186  -2.116   1.315  1.00  0.00           H  
HETATM  117  H   UNL     1     -11.849  -1.940  -0.327  1.00  0.00           H  
HETATM  118  H   UNL     1     -10.153  -2.428  -0.101  1.00  0.00           H  
HETATM  119  H   UNL     1       1.474   6.808  -0.111  1.00  0.00           H  
HETATM  120  H   UNL     1     -10.992   2.836   0.206  1.00  0.00           H  
HETATM  121  H   UNL     1       7.798   4.838   0.094  1.00  0.00           H  
HETATM  122  H   UNL     1      13.292   2.669  -0.078  1.00  0.00           H  
HETATM  123  H   UNL     1      -8.631   7.056   0.924  1.00  0.00           H  
HETATM  124  H   UNL     1      -8.200   7.497  -0.746  1.00  0.00           H  
HETATM  125  H   UNL     1      -9.212   6.065  -0.436  1.00  0.00           H  
HETATM  126  H   UNL     1      14.784  -3.049  -0.032  1.00  0.00           H  
HETATM  127  H   UNL     1      20.273  -5.236  -0.100  1.00  0.00           H  
HETATM  128  H   UNL     1       1.562   3.036   0.302  1.00  0.00           H  
HETATM  129  H   UNL     1      -1.116   1.268  -0.532  1.00  0.00           H  
HETATM  130  H   UNL     1      -0.250   1.201   1.022  1.00  0.00           H  
HETATM  131  H   UNL     1      -1.964   1.676   0.979  1.00  0.00           H  
HETATM  132  H   UNL     1     -20.028  -1.911   0.304  1.00  0.00           H  
HETATM  133  H   UNL     1     -19.585  -2.109  -1.409  1.00  0.00           H  
HETATM  134  H   UNL     1       9.580   3.626   0.170  1.00  0.00           H  
HETATM  135  H   UNL     1      13.477   5.327  -0.378  1.00  0.00           H  
HETATM  136  H   UNL     1      11.708   7.918  -1.517  1.00  0.00           H  
HETATM  137  H   UNL     1      11.133   8.254   0.134  1.00  0.00           H  
HETATM  138  H   UNL     1      12.842   7.842  -0.147  1.00  0.00           H  
HETATM  139  H   UNL     1      14.296   0.761  -0.036  1.00  0.00           H  
HETATM  140  H   UNL     1      12.117  -2.921   0.217  1.00  0.00           H  
HETATM  141  H   UNL     1       9.736  -0.919   1.426  1.00  0.00           H  
HETATM  142  H   UNL     1       9.513  -0.204  -0.188  1.00  0.00           H  
HETATM  143  H   UNL     1       9.705  -1.965  -0.014  1.00  0.00           H  
HETATM  144  H   UNL     1      20.482  -2.563  -0.135  1.00  0.00           H  
HETATM  145  H   UNL     1      18.996   0.093  -1.193  1.00  0.00           H  
HETATM  146  H   UNL     1      18.008   0.340   0.268  1.00  0.00           H  
HETATM  147  H   UNL     1      19.738  -0.053   0.418  1.00  0.00           H  
HETATM  148  H   UNL     1       4.010   6.880  -1.017  1.00  0.00           H  
HETATM  149  H   UNL     1       4.013   7.072   0.752  1.00  0.00           H  
HETATM  150  H   UNL     1       5.427   5.047   0.970  1.00  0.00           H  
HETATM  151  H   UNL     1       5.424   4.855  -0.799  1.00  0.00           H  
HETATM  152  H   UNL     1       6.504   7.267   0.728  1.00  0.00           H  
HETATM  153  H   UNL     1       6.501   7.075  -1.042  1.00  0.00           H  
HETATM  154  H   UNL     1      16.553  -4.279  -0.109  1.00  0.00           H  
HETATM  155  H   UNL     1     -17.993  -3.907  -0.790  1.00  0.00           H  
HETATM  156  H   UNL     1     -18.436  -3.709   0.923  1.00  0.00           H  
HETATM  157  H   UNL     1      16.520  -8.817  -1.073  1.00  0.00           H  
HETATM  158  H   UNL     1      16.567  -9.686   0.480  1.00  0.00           H  
HETATM  159  H   UNL     1      16.478  -7.908   0.457  1.00  0.00           H  
HETATM  160  H   UNL     1      21.838  -9.347  -0.050  1.00  0.00           H  
CONECT    1    2   27    6    6                                       
CONECT    2    3    3   30    1                                       
CONECT    3    4    2    2   90                                       
CONECT    4   34    3    5    5                                       
CONECT    5    4    4   30   91                                       
CONECT    6    1    1                                                 
CONECT    7    8    8                                                 
CONECT    8   22   41    7    7                                       
CONECT    9   17   17                                                 
CONECT   10   14   11   92   93                                       
CONECT   11   10   12   94   95                                       
CONECT   12   11   13   96   97                                       
CONECT   13   12   82   98                                            
CONECT   14   15   10   16   99                                       
CONECT   15   14  100  101  102                                       
CONECT   16   14  103  104  105                                       
CONECT   17   18    9    9   29                                       
CONECT   18   58   17  106                                            
CONECT   19   21   22   23   23                                       
CONECT   20   29   26   23                                            
CONECT   21   29   29   19  107                                       
CONECT   22   19    8  108                                            
CONECT   23   20   19   19  109                                       
CONECT   24   41   36   39                                            
CONECT   25   50   50                                                 
CONECT   26   20  110  111  112                                       
CONECT   27   33    1  113                                            
CONECT   28   57   57                                                 
CONECT   29   17   21   21   20                                       
CONECT   30    5    2   47                                            
CONECT   31   59   59                                                 
CONECT   32   65   65                                                 
CONECT   33   43   27   36   36                                       
CONECT   34   50    4  114                                            
CONECT   35   71   71                                                 
CONECT   36   33   33   24  115                                       
CONECT   37   55   52   56                                            
CONECT   38   76   76                                                 
CONECT   39   24  116  117  118                                       
CONECT   40   53   52   52                                            
CONECT   41   43   43    8   24                                       
CONECT   42   57   53  119                                            
CONECT   43   33   41   41  120                                       
CONECT   44   79   59  121                                            
CONECT   45   64   63   62                                            
CONECT   46   60   65  122                                            
CONECT   47   30  123  124  125                                       
CONECT   48   70   68   69                                            
CONECT   49   67   71  126                                            
CONECT   50   52   34   25   25                                       
CONECT   51   75   73   74                                            
CONECT   52   40   40   37   50                                       
CONECT   53   42   55   55   40                                       
CONECT   54   76   72  127                                            
CONECT   55   53   53   37  128                                       
CONECT   56   37  129  130  131                                       
CONECT   57   77   28   28   42                                       
CONECT   58   81   18  132  133                                       
CONECT   59   44   31   31   64                                       
CONECT   60   61   62   62   46                                       
CONECT   61   64   64   60  134                                       
CONECT   62   45   60   60  135                                       
CONECT   63   45  136  137  138                                       
CONECT   64   59   61   61   45                                       
CONECT   65   46   70   32   32                                       
CONECT   66   70   70   67  139                                       
CONECT   67   66   49   68   68                                       
CONECT   68   67   67   48  140                                       
CONECT   69   48  141  142  143                                       
CONECT   70   66   66   65   48                                       
CONECT   71   49   75   35   35                                       
CONECT   72   54   80   73   73                                       
CONECT   73   72   72   51  144                                       
CONECT   74   51  145  146  147                                       
CONECT   75   80   80   71   51                                       
CONECT   76   84   54   38   38                                       
CONECT   77   78   57  148  149                                       
CONECT   78   77   79  150  151                                       
CONECT   79   78   44  152  153                                       
CONECT   80   72   75   75  154                                       
CONECT   81   82   58  155  156                                       
CONECT   82   13   83   83   81                                       
CONECT   83   82   82                                                 
CONECT   84   89   85   85   76                                       
CONECT   85   87   84   84   86                                       
CONECT   86   85  157  158  159                                       
CONECT   87   88   85                                                 
CONECT   88   87   89   89  160                                       
CONECT   89   88   88   84                                            
CONECT   90    3                                                      
CONECT   91    5                                                      
CONECT   92   10                                                      
CONECT   93   10                                                      
CONECT   94   11                                                      
CONECT   95   11                                                      
CONECT   96   12                                                      
CONECT   97   12                                                      
CONECT   98   13                                                      
CONECT   99   14                                                      
CONECT  100   15                                                      
CONECT  101   15                                                      
CONECT  102   15                                                      
CONECT  103   16                                                      
CONECT  104   16                                                      
CONECT  105   16                                                      
CONECT  106   18                                                      
CONECT  107   21                                                      
CONECT  108   22                                                      
CONECT  109   23                                                      
CONECT  110   26                                                      
CONECT  111   26                                                      
CONECT  112   26                                                      
CONECT  113   27                                                      
CONECT  114   34                                                      
CONECT  115   36                                                      
CONECT  116   39                                                      
CONECT  117   39                                                      
CONECT  118   39                                                      
CONECT  119   42                                                      
CONECT  120   43                                                      
CONECT  121   44                                                      
CONECT  122   46                                                      
CONECT  123   47                                                      
CONECT  124   47                                                      
CONECT  125   47                                                      
CONECT  126   49                                                      
CONECT  127   54                                                      
CONECT  128   55                                                      
CONECT  129   56                                                      
CONECT  130   56                                                      
CONECT  131   56                                                      
CONECT  132   58                                                      
CONECT  133   58                                                      
CONECT  134   61                                                      
CONECT  135   62                                                      
CONECT  136   63                                                      
CONECT  137   63                                                      
CONECT  138   63                                                      
CONECT  139   66                                                      
CONECT  140   68                                                      
CONECT  141   69                                                      
CONECT  142   69                                                      
CONECT  143   69                                                      
CONECT  144   73                                                      
CONECT  145   74                                                      
CONECT  146   74                                                      
CONECT  147   74                                                      
CONECT  148   77                                                      
CONECT  149   77                                                      
CONECT  150   78                                                      
CONECT  151   78                                                      
CONECT  152   79                                                      
CONECT  153   79                                                      
CONECT  154   80                                                      
CONECT  155   81                                                      
CONECT  156   81                                                      
CONECT  157   86                                                      
CONECT  158   86                                                      
CONECT  159   86                                                      
CONECT  160   88                                                      
MASTER        0    0    0    0    0    0    0    0  160    0  160    0
END
