COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      11.416 -13.419  -7.828  1.00  0.00           O  
HETATM    2  C   UNL     1      10.196 -13.365  -8.559  1.00  0.00           C  
HETATM    3  C   UNL     1       9.503 -14.727  -8.537  1.00  0.00           C  
HETATM    4  O   UNL     1       9.124 -15.041  -7.199  1.00  0.00           O  
HETATM    5  C   UNL     1       8.266 -14.706  -9.440  1.00  0.00           C  
HETATM    6  O   UNL     1       7.284 -13.828  -8.885  1.00  0.00           O  
HETATM    7  C   UNL     1       8.641 -14.209 -10.842  1.00  0.00           C  
HETATM    8  C   UNL     1       7.424 -14.054 -11.749  1.00  0.00           C  
HETATM    9  O   UNL     1       7.859 -13.583 -13.012  1.00  0.00           O  
HETATM   10  O   UNL     1       9.284 -12.926 -10.771  1.00  0.00           O  
HETATM   11  C   UNL     1      10.487 -12.930  -9.997  1.00  0.00           C  
HETATM   12  O   UNL     1      11.486 -13.770 -10.572  1.00  0.00           O  
HETATM   13  C   UNL     1      11.864 -13.482 -11.855  1.00  0.00           C  
HETATM   14  C   UNL     1      11.275 -12.415 -12.526  1.00  0.00           C  
HETATM   15  C   UNL     1      12.833 -14.260 -12.481  1.00  0.00           C  
HETATM   16  C   UNL     1      13.218 -13.968 -13.789  1.00  0.00           C  
HETATM   17  N   UNL     1      14.207 -14.758 -14.432  1.00  0.00           N1+
HETATM   18  O   UNL     1      14.539 -14.478 -15.609  1.00  0.00           O1-
HETATM   19  O   UNL     1      14.723 -15.715 -13.805  1.00  0.00           O  
HETATM   20  C   UNL     1      12.630 -12.899 -14.466  1.00  0.00           C  
HETATM   21  C   UNL     1      11.659 -12.122 -13.834  1.00  0.00           C  
HETATM   22  C   UNL     1      11.048 -11.006 -14.539  1.00  0.00           C  
HETATM   23  O   UNL     1      11.657 -10.430 -15.457  1.00  0.00           O  
HETATM   24  N   UNL     1       9.754 -10.641 -14.149  1.00  0.00           N  
HETATM   25  O   UNL     1      13.726  -6.512 -22.593  1.00  0.00           O  
HETATM   26  C   UNL     1      12.957  -7.700 -22.531  1.00  0.00           C  
HETATM   27  C   UNL     1      11.497  -7.348 -22.785  1.00  0.00           C  
HETATM   28  O   UNL     1      11.108  -6.392 -21.788  1.00  0.00           O  
HETATM   29  C   UNL     1       9.780  -5.895 -21.979  1.00  0.00           C  
HETATM   30  O   UNL     1       9.462  -4.914 -20.994  1.00  0.00           O  
HETATM   31  C   UNL     1      10.261  -3.813 -20.936  1.00  0.00           C  
HETATM   32  C   UNL     1      10.960  -3.520 -19.765  1.00  0.00           C  
HETATM   33  C   UNL     1      11.762  -2.398 -19.731  1.00  0.00           C  
HETATM   34  C   UNL     1      11.898  -1.557 -20.816  1.00  0.00           C  
HETATM   35  C   UNL     1      11.199  -1.851 -21.987  1.00  0.00           C  
HETATM   36  C   UNL     1      10.381  -2.979 -22.047  1.00  0.00           C  
HETATM   37  N   UNL     1      11.322  -1.001 -23.119  1.00  0.00           N1+
HETATM   38  O   UNL     1      12.063   0.008 -23.044  1.00  0.00           O1-
HETATM   39  O   UNL     1      10.685  -1.284 -24.162  1.00  0.00           O  
HETATM   40  C   UNL     1      12.508  -2.087 -18.484  1.00  0.00           C  
HETATM   41  O   UNL     1      13.545  -1.433 -18.552  1.00  0.00           O  
HETATM   42  N   UNL     1      11.945  -2.555 -17.302  1.00  0.00           N  
HETATM   43  C   UNL     1      12.535  -2.314 -16.013  1.00  0.00           C  
HETATM   44  C   UNL     1      12.031  -1.024 -15.370  1.00  0.00           C  
HETATM   45  C   UNL     1      10.518  -0.989 -15.162  1.00  0.00           C  
HETATM   46  N   UNL     1      10.041  -2.086 -14.322  1.00  0.00           N  
HETATM   47  C   UNL     1      10.600  -1.986 -12.968  1.00  0.00           C  
HETATM   48  C   UNL     1      10.098  -3.133 -12.084  1.00  0.00           C  
HETATM   49  N   UNL     1       8.631  -3.150 -12.034  1.00  0.00           N  
HETATM   50  C   UNL     1       8.073  -3.251 -13.388  1.00  0.00           C  
HETATM   51  C   UNL     1       8.574  -2.104 -14.271  1.00  0.00           C  
HETATM   52  C   UNL     1       8.153  -4.245 -11.192  1.00  0.00           C  
HETATM   53  C   UNL     1       8.584  -4.096  -9.735  1.00  0.00           C  
HETATM   54  C   UNL     1       8.103  -2.803  -9.079  1.00  0.00           C  
HETATM   55  N   UNL     1       6.663  -2.678  -9.091  1.00  0.00           N  
HETATM   56  C   UNL     1       5.846  -3.146  -8.084  1.00  0.00           C  
HETATM   57  O   UNL     1       6.220  -3.719  -7.065  1.00  0.00           O  
HETATM   58  O   UNL     1       4.535  -2.879  -8.381  1.00  0.00           O  
HETATM   59  C   UNL     1       3.574  -3.309  -7.424  1.00  0.00           C  
HETATM   60  C   UNL     1       3.127  -4.731  -7.758  1.00  0.00           C  
HETATM   61  N   UNL     1       2.184  -5.205  -6.766  1.00  0.00           N  
HETATM   62  C   UNL     1       2.498  -4.796  -9.148  1.00  0.00           C  
HETATM   63  O   UNL     1       2.123  -6.147  -9.437  1.00  0.00           O  
HETATM   64  C   UNL     1       1.544  -6.357 -10.657  1.00  0.00           C  
HETATM   65  O   UNL     1       1.336  -5.479 -11.489  1.00  0.00           O  
HETATM   66  N   UNL     1       1.232  -7.696 -10.808  1.00  0.00           N  
HETATM   67  C   UNL     1       0.611  -8.249 -11.980  1.00  0.00           C  
HETATM   68  C   UNL     1       1.630  -8.708 -13.022  1.00  0.00           C  
HETATM   69  C   UNL     1       2.600  -9.769 -12.509  1.00  0.00           C  
HETATM   70  N   UNL     1       3.542 -10.211 -13.536  1.00  0.00           N  
HETATM   71  C   UNL     1       4.404  -9.102 -13.964  1.00  0.00           C  
HETATM   72  C   UNL     1       5.393  -9.563 -15.040  1.00  0.00           C  
HETATM   73  N   UNL     1       6.206 -10.686 -14.555  1.00  0.00           N  
HETATM   74  C   UNL     1       5.344 -11.795 -14.126  1.00  0.00           C  
HETATM   75  C   UNL     1       4.356 -11.332 -13.050  1.00  0.00           C  
HETATM   76  C   UNL     1       7.146 -11.128 -15.583  1.00  0.00           C  
HETATM   77  C   UNL     1       8.164 -10.049 -15.949  1.00  0.00           C  
HETATM   78  C   UNL     1       9.006  -9.570 -14.768  1.00  0.00           C  
HETATM   79  C   UNL     1       8.752  -7.027 -21.893  1.00  0.00           C  
HETATM   80  O   UNL     1       8.735  -7.554 -20.565  1.00  0.00           O  
HETATM   81  C   UNL     1       9.111  -8.123 -22.899  1.00  0.00           C  
HETATM   82  O   UNL     1       8.241  -9.239 -22.766  1.00  0.00           O  
HETATM   83  C   UNL     1      10.569  -8.572 -22.752  1.00  0.00           C  
HETATM   84  O   UNL     1      10.722  -9.279 -21.521  1.00  0.00           O  
HETATM   85  H   UNL     1      12.011 -12.767  -8.231  1.00  0.00           H  
HETATM   86  H   UNL     1       9.557 -12.622  -8.065  1.00  0.00           H  
HETATM   87  H   UNL     1      10.198 -15.510  -8.861  1.00  0.00           H  
HETATM   88  H   UNL     1       9.771 -14.608  -6.621  1.00  0.00           H  
HETATM   89  H   UNL     1       7.810 -15.701  -9.484  1.00  0.00           H  
HETATM   90  H   UNL     1       7.767 -13.060  -8.545  1.00  0.00           H  
HETATM   91  H   UNL     1       9.326 -14.919 -11.321  1.00  0.00           H  
HETATM   92  H   UNL     1       6.727 -13.336 -11.317  1.00  0.00           H  
HETATM   93  H   UNL     1       6.928 -15.017 -11.875  1.00  0.00           H  
HETATM   94  H   UNL     1       8.776 -13.279 -12.903  1.00  0.00           H  
HETATM   95  H   UNL     1      10.894 -11.914 -10.001  1.00  0.00           H  
HETATM   96  H   UNL     1      10.518 -11.812 -12.029  1.00  0.00           H  
HETATM   97  H   UNL     1      13.287 -15.093 -11.947  1.00  0.00           H  
HETATM   98  H   UNL     1      12.929 -12.668 -15.487  1.00  0.00           H  
HETATM   99  H   UNL     1       9.278 -11.185 -13.437  1.00  0.00           H  
HETATM  100  H   UNL     1      13.405  -6.004 -23.357  1.00  0.00           H  
HETATM  101  H   UNL     1      13.312  -8.397 -23.290  1.00  0.00           H  
HETATM  102  H   UNL     1      13.067  -8.147 -21.542  1.00  0.00           H  
HETATM  103  H   UNL     1      11.428  -6.865 -23.769  1.00  0.00           H  
HETATM  104  H   UNL     1       9.720  -5.411 -22.962  1.00  0.00           H  
HETATM  105  H   UNL     1      10.863  -4.173 -18.901  1.00  0.00           H  
HETATM  106  H   UNL     1      12.537  -0.678 -20.767  1.00  0.00           H  
HETATM  107  H   UNL     1       9.833  -3.213 -22.957  1.00  0.00           H  
HETATM  108  H   UNL     1      11.049  -3.037 -17.325  1.00  0.00           H  
HETATM  109  H   UNL     1      12.278  -3.170 -15.381  1.00  0.00           H  
HETATM  110  H   UNL     1      13.622  -2.301 -16.140  1.00  0.00           H  
HETATM  111  H   UNL     1      12.520  -0.889 -14.398  1.00  0.00           H  
HETATM  112  H   UNL     1      12.329  -0.179 -16.002  1.00  0.00           H  
HETATM  113  H   UNL     1      10.198  -0.050 -14.700  1.00  0.00           H  
HETATM  114  H   UNL     1      10.007  -1.082 -16.126  1.00  0.00           H  
HETATM  115  H   UNL     1      10.339  -1.023 -12.510  1.00  0.00           H  
HETATM  116  H   UNL     1      11.695  -2.038 -13.018  1.00  0.00           H  
HETATM  117  H   UNL     1      10.485  -4.090 -12.462  1.00  0.00           H  
HETATM  118  H   UNL     1      10.499  -2.995 -11.073  1.00  0.00           H  
HETATM  119  H   UNL     1       6.978  -3.200 -13.338  1.00  0.00           H  
HETATM  120  H   UNL     1       8.335  -4.215 -13.846  1.00  0.00           H  
HETATM  121  H   UNL     1       8.174  -2.242 -15.283  1.00  0.00           H  
HETATM  122  H   UNL     1       8.186  -1.148 -13.894  1.00  0.00           H  
HETATM  123  H   UNL     1       8.518  -5.183 -11.624  1.00  0.00           H  
HETATM  124  H   UNL     1       7.061  -4.245 -11.260  1.00  0.00           H  
HETATM  125  H   UNL     1       9.679  -4.140  -9.688  1.00  0.00           H  
HETATM  126  H   UNL     1       8.202  -4.945  -9.155  1.00  0.00           H  
HETATM  127  H   UNL     1       8.501  -1.940  -9.621  1.00  0.00           H  
HETATM  128  H   UNL     1       8.436  -2.733  -8.039  1.00  0.00           H  
HETATM  129  H   UNL     1       6.229  -2.219  -9.886  1.00  0.00           H  
HETATM  130  H   UNL     1       4.026  -3.253  -6.428  1.00  0.00           H  
HETATM  131  H   UNL     1       2.727  -2.616  -7.468  1.00  0.00           H  
HETATM  132  H   UNL     1       3.980  -5.417  -7.696  1.00  0.00           H  
HETATM  133  H   UNL     1       2.512  -5.381  -5.835  1.00  0.00           H  
HETATM  134  H   UNL     1       1.289  -5.537  -7.073  1.00  0.00           H  
HETATM  135  H   UNL     1       3.214  -4.478  -9.913  1.00  0.00           H  
HETATM  136  H   UNL     1       1.605  -4.165  -9.215  1.00  0.00           H  
HETATM  137  H   UNL     1       1.456  -8.328 -10.041  1.00  0.00           H  
HETATM  138  H   UNL     1       0.009  -9.101 -11.648  1.00  0.00           H  
HETATM  139  H   UNL     1      -0.067  -7.494 -12.387  1.00  0.00           H  
HETATM  140  H   UNL     1       1.100  -9.110 -13.894  1.00  0.00           H  
HETATM  141  H   UNL     1       2.197  -7.833 -13.364  1.00  0.00           H  
HETATM  142  H   UNL     1       3.181  -9.404 -11.657  1.00  0.00           H  
HETATM  143  H   UNL     1       2.046 -10.656 -12.185  1.00  0.00           H  
HETATM  144  H   UNL     1       4.953  -8.683 -13.110  1.00  0.00           H  
HETATM  145  H   UNL     1       3.786  -8.297 -14.381  1.00  0.00           H  
HETATM  146  H   UNL     1       4.847  -9.843 -15.951  1.00  0.00           H  
HETATM  147  H   UNL     1       6.047  -8.721 -15.297  1.00  0.00           H  
HETATM  148  H   UNL     1       5.962 -12.599 -13.709  1.00  0.00           H  
HETATM  149  H   UNL     1       4.795 -12.214 -14.980  1.00  0.00           H  
HETATM  150  H   UNL     1       3.702 -12.175 -12.793  1.00  0.00           H  
HETATM  151  H   UNL     1       4.902 -11.051 -12.139  1.00  0.00           H  
HETATM  152  H   UNL     1       6.565 -11.443 -16.455  1.00  0.00           H  
HETATM  153  H   UNL     1       7.662 -12.007 -15.185  1.00  0.00           H  
HETATM  154  H   UNL     1       7.629  -9.196 -16.382  1.00  0.00           H  
HETATM  155  H   UNL     1       8.837 -10.435 -16.724  1.00  0.00           H  
HETATM  156  H   UNL     1       8.356  -9.149 -13.994  1.00  0.00           H  
HETATM  157  H   UNL     1       9.717  -8.796 -15.071  1.00  0.00           H  
HETATM  158  H   UNL     1       7.741  -6.648 -22.077  1.00  0.00           H  
HETATM  159  H   UNL     1       7.887  -8.011 -20.464  1.00  0.00           H  
HETATM  160  H   UNL     1       8.976  -7.726 -23.913  1.00  0.00           H  
HETATM  161  H   UNL     1       8.721  -9.909 -22.253  1.00  0.00           H  
HETATM  162  H   UNL     1      10.818  -9.276 -23.555  1.00  0.00           H  
HETATM  163  H   UNL     1       9.839  -9.590 -21.272  1.00  0.00           H  
CONECT    1    2   85                                                 
CONECT    2    1    3   11   86                                       
CONECT    3    2    4    5   87                                       
CONECT    4    3   88                                                 
CONECT    5    3    6    7   89                                       
CONECT    6    5   90                                                 
CONECT    7    5    8   10   91                                       
CONECT    8    7    9   92   93                                       
CONECT    9    8   94                                                 
CONECT   10    7   11                                                 
CONECT   11    2   10   12   95                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   15   15                                       
CONECT   14   13   21   21   96                                       
CONECT   15   13   13   16   97                                       
CONECT   16   15   17   20   20                                       
CONECT   17   16   18   19   19                                       
CONECT   18   17                                                      
CONECT   19   17   17                                                 
CONECT   20   16   16   21   98                                       
CONECT   21   14   14   20   22                                       
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   78   99                                            
CONECT   25   26  100                                                 
CONECT   26   25   27  101  102                                       
CONECT   27   26   28   83  103                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   79  104                                       
CONECT   30   29   31                                                 
CONECT   31   30   32   32   36                                       
CONECT   32   31   31   33  105                                       
CONECT   33   32   34   34   40                                       
CONECT   34   33   33   35  106                                       
CONECT   35   34   36   36   37                                       
CONECT   36   31   35   35  107                                       
CONECT   37   35   38   39   39                                       
CONECT   38   37                                                      
CONECT   39   37   37                                                 
CONECT   40   33   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   40   43  108                                            
CONECT   43   42   44  109  110                                       
CONECT   44   43   45  111  112                                       
CONECT   45   44   46  113  114                                       
CONECT   46   45   47   51                                            
CONECT   47   46   48  115  116                                       
CONECT   48   47   49  117  118                                       
CONECT   49   48   50   52                                            
CONECT   50   49   51  119  120                                       
CONECT   51   46   50  121  122                                       
CONECT   52   49   53  123  124                                       
CONECT   53   52   54  125  126                                       
CONECT   54   53   55  127  128                                       
CONECT   55   54   56  129                                            
CONECT   56   55   57   57   58                                       
CONECT   57   56   56                                                 
CONECT   58   56   59                                                 
CONECT   59   58   60  130  131                                       
CONECT   60   59   61   62  132                                       
CONECT   61   60  133  134                                            
CONECT   62   60   63  135  136                                       
CONECT   63   62   64                                                 
CONECT   64   63   65   65   66                                       
CONECT   65   64   64                                                 
CONECT   66   64   67  137                                            
CONECT   67   66   68  138  139                                       
CONECT   68   67   69  140  141                                       
CONECT   69   68   70  142  143                                       
CONECT   70   69   71   75                                            
CONECT   71   70   72  144  145                                       
CONECT   72   71   73  146  147                                       
CONECT   73   72   74   76                                            
CONECT   74   73   75  148  149                                       
CONECT   75   70   74  150  151                                       
CONECT   76   73   77  152  153                                       
CONECT   77   76   78  154  155                                       
CONECT   78   24   77  156  157                                       
CONECT   79   29   80   81  158                                       
CONECT   80   79  159                                                 
CONECT   81   79   82   83  160                                       
CONECT   82   81  161                                                 
CONECT   83   27   81   84  162                                       
CONECT   84   83  163                                                 
CONECT   85    1                                                      
CONECT   86    2                                                      
CONECT   87    3                                                      
CONECT   88    4                                                      
CONECT   89    5                                                      
CONECT   90    6                                                      
CONECT   91    7                                                      
CONECT   92    8                                                      
CONECT   93    8                                                      
CONECT   94    9                                                      
CONECT   95   11                                                      
CONECT   96   14                                                      
CONECT   97   15                                                      
CONECT   98   20                                                      
CONECT   99   24                                                      
CONECT  100   25                                                      
CONECT  101   26                                                      
CONECT  102   26                                                      
CONECT  103   27                                                      
CONECT  104   29                                                      
CONECT  105   32                                                      
CONECT  106   34                                                      
CONECT  107   36                                                      
CONECT  108   42                                                      
CONECT  109   43                                                      
CONECT  110   43                                                      
CONECT  111   44                                                      
CONECT  112   44                                                      
CONECT  113   45                                                      
CONECT  114   45                                                      
CONECT  115   47                                                      
CONECT  116   47                                                      
CONECT  117   48                                                      
CONECT  118   48                                                      
CONECT  119   50                                                      
CONECT  120   50                                                      
CONECT  121   51                                                      
CONECT  122   51                                                      
CONECT  123   52                                                      
CONECT  124   52                                                      
CONECT  125   53                                                      
CONECT  126   53                                                      
CONECT  127   54                                                      
CONECT  128   54                                                      
CONECT  129   55                                                      
CONECT  130   59                                                      
CONECT  131   59                                                      
CONECT  132   60                                                      
CONECT  133   61                                                      
CONECT  134   61                                                      
CONECT  135   62                                                      
CONECT  136   62                                                      
CONECT  137   66                                                      
CONECT  138   67                                                      
CONECT  139   67                                                      
CONECT  140   68                                                      
CONECT  141   68                                                      
CONECT  142   69                                                      
CONECT  143   69                                                      
CONECT  144   71                                                      
CONECT  145   71                                                      
CONECT  146   72                                                      
CONECT  147   72                                                      
CONECT  148   74                                                      
CONECT  149   74                                                      
CONECT  150   75                                                      
CONECT  151   75                                                      
CONECT  152   76                                                      
CONECT  153   76                                                      
CONECT  154   77                                                      
CONECT  155   77                                                      
CONECT  156   78                                                      
CONECT  157   78                                                      
CONECT  158   79                                                      
CONECT  159   80                                                      
CONECT  160   81                                                      
CONECT  161   82                                                      
CONECT  162   83                                                      
CONECT  163   84                                                      
MASTER        0    0    0    0    0    0    0    0  163    0  163    0
END
