COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       9.718  -1.028  -3.812  1.00  0.00           N  
HETATM    2  C   UNL     1       8.299  -1.380  -3.666  1.00  0.00           C  
HETATM    3  C   UNL     1       7.548  -0.213  -3.022  1.00  0.00           C  
HETATM    4  C   UNL     1       6.098  -0.625  -2.756  1.00  0.00           C  
HETATM    5  O   UNL     1       5.367   0.499  -2.263  1.00  0.00           O  
HETATM    6  C   UNL     1       4.034   0.332  -2.072  1.00  0.00           C  
HETATM    7  C   UNL     1       3.442  -0.905  -2.243  1.00  0.00           C  
HETATM    8  CA  UNL     1       2.063  -1.045  -2.039  1.00  0.00           C  
HETATM    9  C   UNL     1       1.436  -2.374  -2.224  1.00  0.00           C  
HETATM   10  OXT UNL     1       0.098  -2.505  -2.140  1.00  0.00           O  
HETATM   11  O   UNL     1       2.128  -3.345  -2.452  1.00  0.00           O  
HETATM   12  N   UNL     1       1.310  -0.020  -1.685  1.00  0.00           N  
HETATM   13  C   UNL     1       1.824   1.195  -1.505  1.00  0.00           C  
HETATM   14  C   UNL     1       3.212   1.415  -1.688  1.00  0.00           C  
HETATM   15  C   UNL     1       3.744   2.698  -1.496  1.00  0.00           C  
HETATM   16  C   UNL     1       2.927   3.727  -1.135  1.00  0.00           C  
HETATM   17  C   UNL     1       1.563   3.528  -0.952  1.00  0.00           C  
HETATM   18  C   UNL     1       1.002   2.282  -1.125  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.367   2.094  -0.933  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.208   3.145  -1.006  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.792   4.234  -1.351  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.640   2.973  -0.664  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.514   4.056  -0.821  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.851   3.904  -0.504  1.00  0.00           C  
HETATM   25  O   UNL     1      -5.723   4.933  -0.645  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.195   6.168  -1.131  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.319   7.202  -1.223  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.754   8.525  -1.743  1.00  0.00           C  
HETATM   29  N   UNL     1      -6.834   9.518  -1.831  1.00  0.00           N  
HETATM   30  N   UNL     1      -3.062   1.802  -0.226  1.00  0.00           N  
HETATM   31  C   UNL     1      -4.338   1.594   0.095  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.283   2.643  -0.031  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.624   2.417   0.309  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.014   1.191   0.758  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.099   0.150   0.888  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.773   0.333   0.563  1.00  0.00           C  
HETATM   37  N   UNL     1      -3.865  -0.718   0.697  1.00  0.00           N  
HETATM   38  C   UNL     1      -4.281  -1.991   0.544  1.00  0.00           C  
HETATM   39  O   UNL     1      -5.462  -2.230   0.388  1.00  0.00           O  
HETATM   40  C   UNL     1      -3.298  -3.099   0.564  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.725  -4.398   0.264  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.814  -5.437   0.281  1.00  0.00           C  
HETATM   43  O   UNL     1      -3.197  -6.706  -0.007  1.00  0.00           O  
HETATM   44  C   UNL     1      -4.576  -6.912  -0.324  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.816  -8.394  -0.617  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.291  -8.614  -0.957  1.00  0.00           C  
HETATM   47  N   UNL     1      -6.522 -10.038  -1.238  1.00  0.00           N  
HETATM   48  N   UNL     1      -2.038  -2.838   0.861  1.00  0.00           N  
HETATM   49  C   UNL     1      -1.115  -3.797   0.893  1.00  0.00           C  
HETATM   50  C   UNL     1      -1.471  -5.139   0.606  1.00  0.00           C  
HETATM   51  C   UNL     1      -0.493  -6.142   0.642  1.00  0.00           C  
HETATM   52  C   UNL     1       0.795  -5.827   0.958  1.00  0.00           C  
HETATM   53  C   UNL     1       1.160  -4.516   1.248  1.00  0.00           C  
HETATM   54  C   UNL     1       0.231  -3.499   1.212  1.00  0.00           C  
HETATM   55  N   UNL     1       0.611  -2.188   1.499  1.00  0.00           N  
HETATM   56  C   UNL     1       1.907  -1.898   1.732  1.00  0.00           C  
HETATM   57  O   UNL     1       2.730  -2.791   1.778  1.00  0.00           O  
HETATM   58  C   UNL     1       2.327  -0.491   1.932  1.00  0.00           C  
HETATM   59  C   UNL     1       3.691  -0.191   2.019  1.00  0.00           C  
HETATM   60  N   UNL     1       1.405   0.450   2.019  1.00  0.00           N  
HETATM   61  C   UNL     1       1.729   1.731   2.199  1.00  0.00           C  
HETATM   62  C   UNL     1       0.734   2.723   2.291  1.00  0.00           C  
HETATM   63  N   UNL     1      -0.695   2.352   2.188  1.00  0.00           N1+
HETATM   64  O   UNL     1      -1.016   1.181   2.100  1.00  0.00           O  
HETATM   65  O   UNL     1      -1.551   3.220   2.190  1.00  0.00           O1-
HETATM   66  C   UNL     1       1.091   4.023   2.475  1.00  0.00           C  
HETATM   67  C   UNL     1       2.431   4.393   2.575  1.00  0.00           C  
HETATM   68  C   UNL     1       3.422   3.462   2.491  1.00  0.00           C  
HETATM   69  C   UNL     1       3.091   2.112   2.301  1.00  0.00           C  
HETATM   70  C   UNL     1       4.092   1.119   2.205  1.00  0.00           C  
HETATM   71  O   UNL     1       5.406   1.441   2.298  1.00  0.00           O  
HETATM   72  C   UNL     1       6.348   0.389   2.080  1.00  0.00           C  
HETATM   73  C   UNL     1       7.767   0.961   2.104  1.00  0.00           C  
HETATM   74  C   UNL     1       8.767  -0.140   1.748  1.00  0.00           C  
HETATM   75  N   UNL     1      10.116   0.435   1.655  1.00  0.00           N  
HETATM   76  H   UNL     1      10.109  -0.728  -2.932  1.00  0.00           H  
HETATM   77  H   UNL     1      10.244  -1.797  -4.198  1.00  0.00           H  
HETATM   78  H   UNL     1       7.874  -1.589  -4.647  1.00  0.00           H  
HETATM   79  H   UNL     1       8.208  -2.264  -3.034  1.00  0.00           H  
HETATM   80  H   UNL     1       8.028   0.053  -2.081  1.00  0.00           H  
HETATM   81  H   UNL     1       7.564   0.645  -3.694  1.00  0.00           H  
HETATM   82  H   UNL     1       5.644  -0.975  -3.683  1.00  0.00           H  
HETATM   83  H   UNL     1       6.077  -1.425  -2.017  1.00  0.00           H  
HETATM   84  H   UNL     1       4.037  -1.758  -2.533  1.00  0.00           H  
HETATM   85  HXT UNL     1      -0.260  -3.401  -2.198  1.00  0.00           H  
HETATM   86  H   UNL     1       4.802   2.870  -1.634  1.00  0.00           H  
HETATM   87  H   UNL     1       3.346   4.713  -0.989  1.00  0.00           H  
HETATM   88  H   UNL     1       0.936   4.360  -0.666  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.714   1.208  -0.748  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.147   5.003  -1.185  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.425   6.528  -0.449  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.762   6.015  -2.120  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.089   6.843  -1.905  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.753   7.356  -0.235  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.984   8.885  -1.061  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.321   8.372  -2.732  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.294   9.631  -0.941  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.486  10.401  -2.173  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.347   3.213   0.215  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.049   1.024   1.019  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.433  -0.812   1.246  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.935  -0.533   0.901  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.760  -4.587   0.020  1.00  0.00           H  
HETATM  104  H   UNL     1      -5.193  -6.603   0.520  1.00  0.00           H  
HETATM  105  H   UNL     1      -4.838  -6.321  -1.202  1.00  0.00           H  
HETATM  106  H   UNL     1      -4.199  -8.703  -1.461  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.553  -8.985   0.261  1.00  0.00           H  
HETATM  108  H   UNL     1      -6.909  -8.306  -0.113  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.554  -8.023  -1.834  1.00  0.00           H  
HETATM  110  H   UNL     1      -7.490 -10.209  -1.466  1.00  0.00           H  
HETATM  111  H   UNL     1      -5.914 -10.364  -1.974  1.00  0.00           H  
HETATM  112  H   UNL     1      -0.760  -7.165   0.420  1.00  0.00           H  
HETATM  113  H   UNL     1       1.542  -6.606   0.984  1.00  0.00           H  
HETATM  114  H   UNL     1       2.187  -4.291   1.496  1.00  0.00           H  
HETATM  115  H   UNL     1      -0.056  -1.485   1.531  1.00  0.00           H  
HETATM  116  H   UNL     1       4.426  -0.978   1.941  1.00  0.00           H  
HETATM  117  H   UNL     1       0.324   4.780   2.544  1.00  0.00           H  
HETATM  118  H   UNL     1       2.687   5.432   2.721  1.00  0.00           H  
HETATM  119  H   UNL     1       4.456   3.762   2.569  1.00  0.00           H  
HETATM  120  H   UNL     1       6.245  -0.360   2.866  1.00  0.00           H  
HETATM  121  H   UNL     1       6.159  -0.073   1.111  1.00  0.00           H  
HETATM  122  H   UNL     1       7.844   1.771   1.378  1.00  0.00           H  
HETATM  123  H   UNL     1       7.987   1.345   3.100  1.00  0.00           H  
HETATM  124  H   UNL     1       8.753  -0.908   2.522  1.00  0.00           H  
HETATM  125  H   UNL     1       8.495  -0.583   0.791  1.00  0.00           H  
HETATM  126  H   UNL     1      10.806  -0.284   1.503  1.00  0.00           H  
HETATM  127  H   UNL     1      10.160   1.138   0.932  1.00  0.00           H  
CONECT    1    2   76   77                                            
CONECT    2    1    3   78   79                                       
CONECT    3    4    2   80   81                                       
CONECT    4    5    3   82   83                                       
CONECT    5    6    4                                                 
CONECT    6    7    7   14    5                                       
CONECT    7    8    6    6   84                                       
CONECT    8    9   12   12    7                                       
CONECT    9   11   11   10    8                                       
CONECT   10    9   85                                                 
CONECT   11    9    9                                                 
CONECT   12    8    8   13                                            
CONECT   13   12   18   18   14                                       
CONECT   14   13    6   15   15                                       
CONECT   15   14   14   16   86                                       
CONECT   16   17   17   15   87                                       
CONECT   17   18   16   16   88                                       
CONECT   18   19   13   13   17                                       
CONECT   19   20   18   89                                            
CONECT   20   22   19   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   30   30   23   20                                       
CONECT   23   24   24   22   90                                       
CONECT   24   32   25   23   23                                       
CONECT   25   26   24                                                 
CONECT   26   27   25   91   92                                       
CONECT   27   28   26   93   94                                       
CONECT   28   27   29   95   96                                       
CONECT   29   28   97   98                                            
CONECT   30   31   22   22                                            
CONECT   31   36   36   32   30                                       
CONECT   32   33   33   31   24                                       
CONECT   33   34   32   32   99                                       
CONECT   34   35   35   33  100                                       
CONECT   35   34   34   36  101                                       
CONECT   36   35   37   31   31                                       
CONECT   37   38   36  102                                            
CONECT   38   40   39   39   37                                       
CONECT   39   38   38                                                 
CONECT   40   41   38   48   48                                       
CONECT   41   42   42   40  103                                       
CONECT   42   43   41   41   50                                       
CONECT   43   42   44                                                 
CONECT   44   43   45  104  105                                       
CONECT   45   46   44  106  107                                       
CONECT   46   47   45  108  109                                       
CONECT   47   46  110  111                                            
CONECT   48   40   40   49                                            
CONECT   49   50   48   54   54                                       
CONECT   50   42   51   51   49                                       
CONECT   51   50   50   52  112                                       
CONECT   52   51   53   53  113                                       
CONECT   53   52   52   54  114                                       
CONECT   54   49   49   53   55                                       
CONECT   55   54   56  115                                            
CONECT   56   55   58   57   57                                       
CONECT   57   56   56                                                 
CONECT   58   60   56   59   59                                       
CONECT   59   58   58   70  116                                       
CONECT   60   61   61   58                                            
CONECT   61   62   60   60   69                                       
CONECT   62   63   66   66   61                                       
CONECT   63   64   64   65   62                                       
CONECT   64   63   63                                                 
CONECT   65   63                                                      
CONECT   66   62   62   67  117                                       
CONECT   67   66   68   68  118                                       
CONECT   68   67   67   69  119                                       
CONECT   69   61   68   70   70                                       
CONECT   70   69   69   59   71                                       
CONECT   71   70   72                                                 
CONECT   72   71   73  120  121                                       
CONECT   73   72   74  122  123                                       
CONECT   74   73   75  124  125                                       
CONECT   75   74  126  127                                            
CONECT   76    1                                                      
CONECT   77    1                                                      
CONECT   78    2                                                      
CONECT   79    2                                                      
CONECT   80    3                                                      
CONECT   81    3                                                      
CONECT   82    4                                                      
CONECT   83    4                                                      
CONECT   84    7                                                      
CONECT   85   10                                                      
CONECT   86   15                                                      
CONECT   87   16                                                      
CONECT   88   17                                                      
CONECT   89   19                                                      
CONECT   90   23                                                      
CONECT   91   26                                                      
CONECT   92   26                                                      
CONECT   93   27                                                      
CONECT   94   27                                                      
CONECT   95   28                                                      
CONECT   96   28                                                      
CONECT   97   29                                                      
CONECT   98   29                                                      
CONECT   99   33                                                      
CONECT  100   34                                                      
CONECT  101   35                                                      
CONECT  102   37                                                      
CONECT  103   41                                                      
CONECT  104   44                                                      
CONECT  105   44                                                      
CONECT  106   45                                                      
CONECT  107   45                                                      
CONECT  108   46                                                      
CONECT  109   46                                                      
CONECT  110   47                                                      
CONECT  111   47                                                      
CONECT  112   51                                                      
CONECT  113   52                                                      
CONECT  114   53                                                      
CONECT  115   55                                                      
CONECT  116   59                                                      
CONECT  117   66                                                      
CONECT  118   67                                                      
CONECT  119   68                                                      
CONECT  120   72                                                      
CONECT  121   72                                                      
CONECT  122   73                                                      
CONECT  123   73                                                      
CONECT  124   74                                                      
CONECT  125   74                                                      
CONECT  126   75                                                      
CONECT  127   75                                                      
MASTER        0    0    0    0    0    0    0    0  127    0  127    0
END
