COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   0       2.465  -0.072  -0.623  1.00  0.00           N  
HETATM    2  N   UNK A   0       6.515   0.347   0.722  1.00  0.00           N  
HETATM    3  C   UNK A   1      12.321  -2.579   0.247  1.00  0.00           C  
HETATM    4  C   UNK A   0       3.276   1.153  -0.617  1.00  0.00           C  
HETATM    5  C   UNK A   1      12.689  -2.691   1.574  1.00  0.00           C  
HETATM    6  C   UNK A   0       0.673   0.822  -2.037  1.00  0.00           C  
HETATM    7  C   UNK A   1      13.100  -1.571   2.274  1.00  0.00           C  
HETATM    8  C   UNK A   1      13.143  -0.341   1.646  1.00  0.00           C  
HETATM    9  C   UNK A   0      -9.101   1.746   3.660  1.00  0.00           C  
HETATM   10  C   UNK A   0      -9.124   0.305   1.616  1.00  0.00           C  
HETATM   11  C   UNK A   0      -9.101  -1.254  -0.321  1.00  0.00           C  
HETATM   12  C   UNK A   0       4.713   0.802  -0.329  1.00  0.00           C  
HETATM   13  C   UNK A   0      -6.343  -3.374  -2.080  1.00  0.00           C  
HETATM   14  C   UNK A   0      -5.644  -2.792  -0.853  1.00  0.00           C  
HETATM   15  C   UNK A   0      -4.125  -2.927  -0.972  1.00  0.00           C  
HETATM   16  C   UNK A   0      -4.524  -0.041   1.174  1.00  0.00           C  
HETATM   17  C   UNK A   0      -6.785   0.567   1.995  1.00  0.00           C  
HETATM   18  C   UNK A   0       2.842  -0.948  -1.740  1.00  0.00           C  
HETATM   19  O   UNK A   1      13.207   0.938  -1.731  1.00  0.00           O  
HETATM   20  C   UNK A   1      12.364  -1.348  -0.381  1.00  0.00           C  
HETATM   21  N   UNK A   0       6.810   0.306  -0.530  1.00  0.00           N  
HETATM   22  O   UNK A   0      -1.703   5.322   0.528  1.00  0.00           O  
HETATM   23  C   UNK A   0       1.031   0.246  -0.663  1.00  0.00           C  
HETATM   24  O   UNK A   0      -3.750  -3.026  -2.352  1.00  0.00           O  
HETATM   25  N   UNK A   0       5.272   0.641   0.876  1.00  0.00           N  
HETATM   26  O   UNK A   0      -8.830  -0.148  -1.196  1.00  0.00           O  
HETATM   27  N   UNK A   1      10.443   0.850  -0.877  1.00  0.00           N  
HETATM   28  O   UNK A   0     -11.114  -0.062   0.292  1.00  0.00           O  
HETATM   29  N   UNK A   1      12.643  -4.008   2.247  1.00  0.00           N1+
HETATM   30  O   UNK A   0      -2.039  -1.900  -0.388  1.00  0.00           O  
HETATM   31  N   UNK A   0      -8.844  -3.432  -1.490  1.00  0.00           N  
HETATM   32  O   UNK A   0       0.489  -1.536   0.880  1.00  0.00           O  
HETATM   33  O   UNK A   0      -1.534  -0.143  -1.840  1.00  0.00           O  
HETATM   34  C   UNK A   0      -0.835   1.077  -2.097  1.00  0.00           C  
HETATM   35  O   UNK A   0      -6.915   1.738   1.745  1.00  0.00           O  
HETATM   36  O   UNK A   1      11.900   2.803  -2.439  1.00  0.00           O  
HETATM   37  C   UNK A   0      -1.210   1.596  -3.487  1.00  0.00           C  
HETATM   38  O   UNK A   1      12.968  -4.107   3.417  1.00  0.00           O1-
HETATM   39  C   UNK A   0       9.151   0.943  -0.504  1.00  0.00           C  
HETATM   40  O   UNK A   0       8.812   1.781   0.303  1.00  0.00           O  
HETATM   41  O   UNK A   0      -7.832  -0.274   1.932  1.00  0.00           O  
HETATM   42  C   UNK A   0      -9.864   0.649   2.914  1.00  0.00           C  
HETATM   43  O   UNK A   1      12.281  -4.994   1.630  1.00  0.00           O  
HETATM   44  O   UNK A   0      -3.469   0.923   1.309  1.00  0.00           O  
HETATM   45  C   UNK A   0      -9.957  -0.717   0.827  1.00  0.00           C  
HETATM   46  O   UNK A   0      -3.945   2.094  -0.646  1.00  0.00           O  
HETATM   47  O   UNK A   0      -2.102   4.282  -1.817  1.00  0.00           O  
HETATM   48  C   UNK A   0      -9.806  -2.349  -1.093  1.00  0.00           C  
HETATM   49  C   UNK A   0      -7.739  -2.813  -2.234  1.00  0.00           C  
HETATM   50  C   UNK A   1      11.437   1.763  -0.307  1.00  0.00           C  
HETATM   51  C   UNK A   0      -3.919  -1.444   1.062  1.00  0.00           C  
HETATM   52  C   UNK A   0      -5.432   0.036   2.405  1.00  0.00           C  
HETATM   53  C   UNK A   0      -4.818   0.994   3.426  1.00  0.00           C  
HETATM   54  C   UNK A   0      -3.783   2.210   0.764  1.00  0.00           C  
HETATM   55  C   UNK A   0      -2.629   3.170   1.054  1.00  0.00           C  
HETATM   56  C   UNK A   0       5.693   0.589  -1.238  1.00  0.00           C  
HETATM   57  C   UNK A   0      -2.910   4.537   0.438  1.00  0.00           C  
HETATM   58  C   UNK A   0      -3.455  -1.688  -0.374  1.00  0.00           C  
HETATM   59  C   UNK A   0      -3.296   4.429  -1.030  1.00  0.00           C  
HETATM   60  C   UNK A   0      -4.245   3.287  -1.350  1.00  0.00           C  
HETATM   61  C   UNK A   0      -5.701   3.697  -1.130  1.00  0.00           C  
HETATM   62  C   UNK A   0      -3.995   5.264   1.237  1.00  0.00           C  
HETATM   63  C   UNK A   0      -1.241   5.525   1.865  1.00  0.00           C  
HETATM   64  C   UNK A   0      -2.715  -1.546   2.005  1.00  0.00           C  
HETATM   65  C   UNK A   0      -3.654  -4.189  -0.244  1.00  0.00           C  
HETATM   66  C   UNK A   0      -6.258  -4.890  -2.158  1.00  0.00           C  
HETATM   67  C   UNK A   0      -8.417  -4.053  -0.208  1.00  0.00           C  
HETATM   68  C   UNK A   0       8.129   0.004  -1.091  1.00  0.00           C  
HETATM   69  C   UNK A   1      12.821   1.113  -0.366  1.00  0.00           C  
HETATM   70  C   UNK A   0     -10.449  -1.784  -2.362  1.00  0.00           C  
HETATM   71  C   UNK A   0     -10.393  -1.825   1.781  1.00  0.00           C  
HETATM   72  C   UNK A   1      11.452   3.067  -1.108  1.00  0.00           C  
HETATM   73  C   UNK A   1      12.775  -0.229   0.318  1.00  0.00           C  
HETATM   74  C   UNK A   0      -1.274  -0.703  -0.551  1.00  0.00           C  
HETATM   75  C   UNK A   0       0.216  -1.030  -0.428  1.00  0.00           C  
HETATM   76  H   UNK A   1      12.004  -3.454  -0.301  1.00  0.00           H  
HETATM   77  H   UNK A   0       3.208   1.637  -1.591  1.00  0.00           H  
HETATM   78  H   UNK A   0       2.906   1.830   0.152  1.00  0.00           H  
HETATM   79  H   UNK A   0       1.207   1.760  -2.189  1.00  0.00           H  
HETATM   80  H   UNK A   0       0.955   0.112  -2.814  1.00  0.00           H  
HETATM   81  H   UNK A   1      13.387  -1.658   3.312  1.00  0.00           H  
HETATM   82  H   UNK A   1      13.464   0.534   2.193  1.00  0.00           H  
HETATM   83  H   UNK A   0      -8.097   1.394   3.896  1.00  0.00           H  
HETATM   84  H   UNK A   0      -9.036   2.635   3.032  1.00  0.00           H  
HETATM   85  H   UNK A   0      -9.627   1.991   4.583  1.00  0.00           H  
HETATM   86  H   UNK A   0      -9.013   1.210   1.023  1.00  0.00           H  
HETATM   87  H   UNK A   0      -8.146  -1.587   0.084  1.00  0.00           H  
HETATM   88  H   UNK A   0      -5.774  -3.000  -2.971  1.00  0.00           H  
HETATM   89  H   UNK A   0      -5.884  -1.725  -0.803  1.00  0.00           H  
HETATM   90  H   UNK A   0      -5.981  -3.279   0.052  1.00  0.00           H  
HETATM   91  H   UNK A   0      -5.101   0.178   0.280  1.00  0.00           H  
HETATM   92  H   UNK A   0       3.892  -1.225  -1.647  1.00  0.00           H  
HETATM   93  H   UNK A   0       2.226  -1.847  -1.720  1.00  0.00           H  
HETATM   94  H   UNK A   0       2.687  -0.422  -2.682  1.00  0.00           H  
HETATM   95  H   UNK A   1      12.606   0.378  -2.241  1.00  0.00           H  
HETATM   96  H   UNK A   1      12.080  -1.262  -1.420  1.00  0.00           H  
HETATM   97  H   UNK A   0       0.797   0.976   0.111  1.00  0.00           H  
HETATM   98  H   UNK A   0      -4.133  -3.787  -2.809  1.00  0.00           H  
HETATM   99  H   UNK A   0      -8.331   0.568  -0.781  1.00  0.00           H  
HETATM  100  H   UNK A   1      10.715   0.180  -1.523  1.00  0.00           H  
HETATM  101  H   UNK A   0     -11.692   0.327   0.963  1.00  0.00           H  
HETATM  102  H   UNK A   0       0.005  -2.345   1.097  1.00  0.00           H  
HETATM  103  H   UNK A   0      -1.109   1.818  -1.346  1.00  0.00           H  
HETATM  104  H   UNK A   1      11.935   3.586  -3.005  1.00  0.00           H  
HETATM  105  H   UNK A   0      -2.284   1.776  -3.530  1.00  0.00           H  
HETATM  106  H   UNK A   0      -0.677   2.526  -3.683  1.00  0.00           H  
HETATM  107  H   UNK A   0      -0.936   0.855  -4.237  1.00  0.00           H  
HETATM  108  H   UNK A   0      -9.928  -0.240   3.542  1.00  0.00           H  
HETATM  109  H   UNK A   0     -10.868   1.001   2.678  1.00  0.00           H  
HETATM  110  H   UNK A   0      -2.265   4.206  -2.767  1.00  0.00           H  
HETATM  111  H   UNK A   0     -10.575  -2.839  -0.491  1.00  0.00           H  
HETATM  112  H   UNK A   0      -7.697  -1.753  -1.993  1.00  0.00           H  
HETATM  113  H   UNK A   0      -7.994  -2.877  -3.315  1.00  0.00           H  
HETATM  114  H   UNK A   1      11.181   1.977   0.731  1.00  0.00           H  
HETATM  115  H   UNK A   0      -4.660  -2.184   1.344  1.00  0.00           H  
HETATM  116  H   UNK A   0      -5.548  -0.955   2.845  1.00  0.00           H  
HETATM  117  H   UNK A   0      -5.468   1.062   4.298  1.00  0.00           H  
HETATM  118  H   UNK A   0      -3.839   0.621   3.731  1.00  0.00           H  
HETATM  119  H   UNK A   0      -4.707   1.981   2.977  1.00  0.00           H  
HETATM  120  H   UNK A   0      -4.699   2.571   1.226  1.00  0.00           H  
HETATM  121  H   UNK A   0      -2.510   3.274   2.135  1.00  0.00           H  
HETATM  122  H   UNK A   0      -1.706   2.763   0.636  1.00  0.00           H  
HETATM  123  H   UNK A   0       5.601   0.635  -2.314  1.00  0.00           H  
HETATM  124  H   UNK A   0      -3.682  -0.821  -0.992  1.00  0.00           H  
HETATM  125  H   UNK A   0      -3.771   5.376  -1.336  1.00  0.00           H  
HETATM  126  H   UNK A   0      -4.137   3.061  -2.433  1.00  0.00           H  
HETATM  127  H   UNK A   0      -5.942   4.541  -1.778  1.00  0.00           H  
HETATM  128  H   UNK A   0      -6.355   2.858  -1.368  1.00  0.00           H  
HETATM  129  H   UNK A   0      -5.844   3.986  -0.089  1.00  0.00           H  
HETATM  130  H   UNK A   0      -3.660   5.398   2.266  1.00  0.00           H  
HETATM  131  H   UNK A   0      -4.186   6.238   0.787  1.00  0.00           H  
HETATM  132  H   UNK A   0      -4.911   4.673   1.227  1.00  0.00           H  
HETATM  133  H   UNK A   0      -0.330   6.124   1.847  1.00  0.00           H  
HETATM  134  H   UNK A   0      -2.007   6.047   2.439  1.00  0.00           H  
HETATM  135  H   UNK A   0      -1.033   4.561   2.329  1.00  0.00           H  
HETATM  136  H   UNK A   0      -3.040  -1.368   3.030  1.00  0.00           H  
HETATM  137  H   UNK A   0      -2.278  -2.542   1.930  1.00  0.00           H  
HETATM  138  H   UNK A   0      -1.970  -0.801   1.725  1.00  0.00           H  
HETATM  139  H   UNK A   0      -4.129  -5.064  -0.689  1.00  0.00           H  
HETATM  140  H   UNK A   0      -2.572  -4.279  -0.333  1.00  0.00           H  
HETATM  141  H   UNK A   0      -3.928  -4.125   0.809  1.00  0.00           H  
HETATM  142  H   UNK A   0      -6.553  -5.320  -1.201  1.00  0.00           H  
HETATM  143  H   UNK A   0      -6.925  -5.252  -2.940  1.00  0.00           H  
HETATM  144  H   UNK A   0      -5.234  -5.186  -2.388  1.00  0.00           H  
HETATM  145  H   UNK A   0      -7.804  -3.347   0.352  1.00  0.00           H  
HETATM  146  H   UNK A   0      -9.297  -4.316   0.380  1.00  0.00           H  
HETATM  147  H   UNK A   0      -7.837  -4.952  -0.415  1.00  0.00           H  
HETATM  148  H   UNK A   0       8.400  -1.024  -0.850  1.00  0.00           H  
HETATM  149  H   UNK A   0       8.101   0.128  -2.173  1.00  0.00           H  
HETATM  150  H   UNK A   1      13.545   1.753   0.138  1.00  0.00           H  
HETATM  151  H   UNK A   0      -9.678  -1.345  -2.995  1.00  0.00           H  
HETATM  152  H   UNK A   0     -10.951  -2.586  -2.904  1.00  0.00           H  
HETATM  153  H   UNK A   0     -11.176  -1.018  -2.091  1.00  0.00           H  
HETATM  154  H   UNK A   0     -10.992  -1.398   2.585  1.00  0.00           H  
HETATM  155  H   UNK A   0     -10.986  -2.560   1.237  1.00  0.00           H  
HETATM  156  H   UNK A   0      -9.512  -2.309   2.202  1.00  0.00           H  
HETATM  157  H   UNK A   1      12.126   3.779  -0.632  1.00  0.00           H  
HETATM  158  H   UNK A   1      10.445   3.485  -1.140  1.00  0.00           H  
HETATM  159  H   UNK A   0      -1.554   0.014   0.221  1.00  0.00           H  
HETATM  160  H   UNK A   0       0.488  -1.778  -1.173  1.00  0.00           H  
CONECT    1   23    4   18                                            
CONECT    2   21   25   25                                            
CONECT    3    5   20   20   76                                       
CONECT    4   12    1   77   78                                       
CONECT    5   29    7    7    3                                       
CONECT    6   34   23   79   80                                       
CONECT    7    5    5    8   81                                       
CONECT    8    7   73   73   82                                       
CONECT    9   42   83   84   85                                       
CONECT   10   42   41   45   86                                       
CONECT   11   26   45   48   87                                       
CONECT   12   56   56    4   25                                       
CONECT   13   14   49   66   88                                       
CONECT   14   15   13   89   90                                       
CONECT   15   24   58   65   14                                       
CONECT   16   52   44   51   91                                       
CONECT   17   35   35   52   41                                       
CONECT   18    1   92   93   94                                       
CONECT   19   69   95                                                 
CONECT   20    3    3   73   96                                       
CONECT   21   68   56    2                                            
CONECT   22   57   63                                                 
CONECT   23    6   75    1   97                                       
CONECT   24   15   98                                                 
CONECT   25   12    2    2                                            
CONECT   26   11   99                                                 
CONECT   27   50   39  100                                            
CONECT   28   45  101                                                 
CONECT   29   38   43   43    5                                       
CONECT   30   58   74                                                 
CONECT   31   67   48   49                                            
CONECT   32   75  102                                                 
CONECT   33   34   74                                                 
CONECT   34   37   33    6  103                                       
CONECT   35   17   17                                                 
CONECT   36   72  104                                                 
CONECT   37   34  105  106  107                                       
CONECT   38   29                                                      
CONECT   39   40   40   27   68                                       
CONECT   40   39   39                                                 
CONECT   41   17   10                                                 
CONECT   42    9   10  108  109                                       
CONECT   43   29   29                                                 
CONECT   44   54   16                                                 
CONECT   45   10   28   11   71                                       
CONECT   46   54   60                                                 
CONECT   47   59  110                                                 
CONECT   48   11   31   70  111                                       
CONECT   49   31   13  112  113                                       
CONECT   50   69   72   27  114                                       
CONECT   51   16   64   58  115                                       
CONECT   52   53   17   16  116                                       
CONECT   53   52  117  118  119                                       
CONECT   54   55   46   44  120                                       
CONECT   55   54   57  121  122                                       
CONECT   56   21   12   12  123                                       
CONECT   57   62   55   59   22                                       
CONECT   58   51   15   30  124                                       
CONECT   59   57   60   47  125                                       
CONECT   60   61   59   46  126                                       
CONECT   61   60  127  128  129                                       
CONECT   62   57  130  131  132                                       
CONECT   63   22  133  134  135                                       
CONECT   64   51  136  137  138                                       
CONECT   65   15  139  140  141                                       
CONECT   66   13  142  143  144                                       
CONECT   67   31  145  146  147                                       
CONECT   68   39   21  148  149                                       
CONECT   69   73   19   50  150                                       
CONECT   70   48  151  152  153                                       
CONECT   71   45  154  155  156                                       
CONECT   72   50   36  157  158                                       
CONECT   73    8    8   20   69                                       
CONECT   74   33   30   75  159                                       
CONECT   75   74   23   32  160                                       
CONECT   76    3                                                      
CONECT   77    4                                                      
CONECT   78    4                                                      
CONECT   79    6                                                      
CONECT   80    6                                                      
CONECT   81    7                                                      
CONECT   82    8                                                      
CONECT   83    9                                                      
CONECT   84    9                                                      
CONECT   85    9                                                      
CONECT   86   10                                                      
CONECT   87   11                                                      
CONECT   88   13                                                      
CONECT   89   14                                                      
CONECT   90   14                                                      
CONECT   91   16                                                      
CONECT   92   18                                                      
CONECT   93   18                                                      
CONECT   94   18                                                      
CONECT   95   19                                                      
CONECT   96   20                                                      
CONECT   97   23                                                      
CONECT   98   24                                                      
CONECT   99   26                                                      
CONECT  100   27                                                      
CONECT  101   28                                                      
CONECT  102   32                                                      
CONECT  103   34                                                      
CONECT  104   36                                                      
CONECT  105   37                                                      
CONECT  106   37                                                      
CONECT  107   37                                                      
CONECT  108   42                                                      
CONECT  109   42                                                      
CONECT  110   47                                                      
CONECT  111   48                                                      
CONECT  112   49                                                      
CONECT  113   49                                                      
CONECT  114   50                                                      
CONECT  115   51                                                      
CONECT  116   52                                                      
CONECT  117   53                                                      
CONECT  118   53                                                      
CONECT  119   53                                                      
CONECT  120   54                                                      
CONECT  121   55                                                      
CONECT  122   55                                                      
CONECT  123   56                                                      
CONECT  124   58                                                      
CONECT  125   59                                                      
CONECT  126   60                                                      
CONECT  127   61                                                      
CONECT  128   61                                                      
CONECT  129   61                                                      
CONECT  130   62                                                      
CONECT  131   62                                                      
CONECT  132   62                                                      
CONECT  133   63                                                      
CONECT  134   63                                                      
CONECT  135   63                                                      
CONECT  136   64                                                      
CONECT  137   64                                                      
CONECT  138   64                                                      
CONECT  139   65                                                      
CONECT  140   65                                                      
CONECT  141   65                                                      
CONECT  142   66                                                      
CONECT  143   66                                                      
CONECT  144   66                                                      
CONECT  145   67                                                      
CONECT  146   67                                                      
CONECT  147   67                                                      
CONECT  148   68                                                      
CONECT  149   68                                                      
CONECT  150   69                                                      
CONECT  151   70                                                      
CONECT  152   70                                                      
CONECT  153   70                                                      
CONECT  154   71                                                      
CONECT  155   71                                                      
CONECT  156   71                                                      
CONECT  157   72                                                      
CONECT  158   72                                                      
CONECT  159   74                                                      
CONECT  160   75                                                      
MASTER        0    0    0    0    0    0    0    0  160    0  160    0
END
