COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.951   2.836   0.187  1.00  0.00           O  
HETATM    2  C   UNL     1       5.089   2.497  -0.072  1.00  0.00           C  
HETATM    3  N   UNL     1       6.037   3.430  -0.290  1.00  0.00           N  
HETATM    4  C   UNL     1       5.696   4.852  -0.214  1.00  0.00           C  
HETATM    5  C   UNL     1       6.943   5.692  -0.499  1.00  0.00           C  
HETATM    6  C   UNL     1       4.617   5.174  -1.249  1.00  0.00           C  
HETATM    7  C   UNL     1       5.173   5.177   1.187  1.00  0.00           C  
HETATM    8  N   UNL     1       5.404   1.188  -0.137  1.00  0.00           N  
HETATM    9  C   UNL     1       4.429   0.228   0.093  1.00  0.00           C  
HETATM   10  C   UNL     1       4.777  -1.138   0.027  1.00  0.00           C  
HETATM   11  C   UNL     1       6.168  -1.540  -0.290  1.00  0.00           C  
HETATM   12  C   UNL     1       6.828  -2.466   0.516  1.00  0.00           C  
HETATM   13  C   UNL     1       8.128  -2.840   0.217  1.00  0.00           C  
HETATM   14  O   UNL     1       8.772  -3.743   1.002  1.00  0.00           O  
HETATM   15  C   UNL     1      10.111  -4.083   0.636  1.00  0.00           C  
HETATM   16  C   UNL     1       8.773  -2.294  -0.883  1.00  0.00           C  
HETATM   17  C   UNL     1       8.119  -1.371  -1.687  1.00  0.00           C  
HETATM   18  O   UNL     1       8.755  -0.839  -2.764  1.00  0.00           O  
HETATM   19  C   UNL     1      10.094  -1.274  -3.008  1.00  0.00           C  
HETATM   20  C   UNL     1       6.817  -0.997  -1.397  1.00  0.00           C  
HETATM   21  C   UNL     1       3.807  -2.100   0.261  1.00  0.00           C  
HETATM   22  C   UNL     1       2.506  -1.664   0.558  1.00  0.00           C  
HETATM   23  C   UNL     1       2.229  -0.273   0.607  1.00  0.00           C  
HETATM   24  N   UNL     1       3.200   0.612   0.373  1.00  0.00           N  
HETATM   25  C   UNL     1       1.459  -2.568   0.808  1.00  0.00           C  
HETATM   26  N   UNL     1       0.263  -2.086   1.079  1.00  0.00           N  
HETATM   27  C   UNL     1       0.037  -0.775   1.118  1.00  0.00           C  
HETATM   28  N   UNL     1       0.980   0.119   0.891  1.00  0.00           N  
HETATM   29  N   UNL     1      -1.240  -0.331   1.408  1.00  0.00           N  
HETATM   30  C   UNL     1      -2.310  -1.298   1.665  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.593  -0.561   1.954  1.00  0.00           C  
HETATM   32  N   UNL     1      -3.987  -0.073   3.135  1.00  0.00           N  
HETATM   33  N   UNL     1      -5.135   0.490   2.991  1.00  0.00           N  
HETATM   34  C   UNL     1      -4.570  -0.259   1.067  1.00  0.00           C  
HETATM   35  N   UNL     1      -5.523   0.399   1.767  1.00  0.00           N  
HETATM   36  C   UNL     1      -6.779   0.923   1.224  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.553   1.407  -0.211  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.881   1.896  -0.794  1.00  0.00           C  
HETATM   39  N   UNL     1      -8.858   0.800  -0.776  1.00  0.00           N  
HETATM   40  C   UNL     1      -9.127   0.350   0.595  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.836  -0.185   1.220  1.00  0.00           C  
HETATM   42  C   UNL     1     -10.101   1.192  -1.455  1.00  0.00           C  
HETATM   43  C   UNL     1     -10.979  -0.019  -1.634  1.00  0.00           C  
HETATM   44  C   UNL     1     -11.893  -0.362  -0.656  1.00  0.00           C  
HETATM   45  C   UNL     1     -12.698  -1.473  -0.820  1.00  0.00           C  
HETATM   46  C   UNL     1     -12.589  -2.242  -1.964  1.00  0.00           C  
HETATM   47  C   UNL     1     -11.675  -1.900  -2.942  1.00  0.00           C  
HETATM   48  C   UNL     1     -10.874  -0.785  -2.780  1.00  0.00           C  
HETATM   49  H   UNL     1       6.945   3.159  -0.497  1.00  0.00           H  
HETATM   50  H   UNL     1       7.316   5.460  -1.497  1.00  0.00           H  
HETATM   51  H   UNL     1       6.690   6.750  -0.443  1.00  0.00           H  
HETATM   52  H   UNL     1       7.712   5.462   0.238  1.00  0.00           H  
HETATM   53  H   UNL     1       3.728   4.576  -1.046  1.00  0.00           H  
HETATM   54  H   UNL     1       4.363   6.233  -1.192  1.00  0.00           H  
HETATM   55  H   UNL     1       4.990   4.943  -2.247  1.00  0.00           H  
HETATM   56  H   UNL     1       5.942   4.948   1.924  1.00  0.00           H  
HETATM   57  H   UNL     1       4.919   6.236   1.243  1.00  0.00           H  
HETATM   58  H   UNL     1       4.284   4.579   1.390  1.00  0.00           H  
HETATM   59  H   UNL     1       6.312   0.917  -0.344  1.00  0.00           H  
HETATM   60  H   UNL     1       6.326  -2.891   1.372  1.00  0.00           H  
HETATM   61  H   UNL     1      10.507  -4.811   1.343  1.00  0.00           H  
HETATM   62  H   UNL     1      10.116  -4.510  -0.367  1.00  0.00           H  
HETATM   63  H   UNL     1      10.731  -3.186   0.651  1.00  0.00           H  
HETATM   64  H   UNL     1       9.786  -2.587  -1.115  1.00  0.00           H  
HETATM   65  H   UNL     1      10.102  -2.352  -3.167  1.00  0.00           H  
HETATM   66  H   UNL     1      10.483  -0.773  -3.895  1.00  0.00           H  
HETATM   67  H   UNL     1      10.718  -1.028  -2.149  1.00  0.00           H  
HETATM   68  H   UNL     1       6.309  -0.279  -2.023  1.00  0.00           H  
HETATM   69  H   UNL     1       4.045  -3.152   0.217  1.00  0.00           H  
HETATM   70  H   UNL     1       1.631  -3.634   0.780  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.427   0.620   1.441  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.444  -1.933   0.789  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.044  -1.914   2.524  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.587  -0.497   0.014  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.124   1.753   1.839  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.833   2.225  -0.210  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.171   0.585  -0.817  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.256   2.727  -0.196  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.727   2.229  -1.821  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.496   1.188   1.187  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.877  -0.440   0.578  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.474  -1.032   0.637  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.032  -0.504   2.243  1.00  0.00           H  
HETATM   84  H   UNL     1     -10.625   1.934  -0.852  1.00  0.00           H  
HETATM   85  H   UNL     1      -9.864   1.617  -2.430  1.00  0.00           H  
HETATM   86  H   UNL     1     -11.978   0.239   0.238  1.00  0.00           H  
HETATM   87  H   UNL     1     -13.413  -1.741  -0.056  1.00  0.00           H  
HETATM   88  H   UNL     1     -13.218  -3.111  -2.092  1.00  0.00           H  
HETATM   89  H   UNL     1     -11.590  -2.501  -3.836  1.00  0.00           H  
HETATM   90  H   UNL     1     -10.159  -0.518  -3.545  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    8    1    1    3                                       
CONECT    3    2    4   49                                            
CONECT    4    3    7    6    5                                       
CONECT    5    4   50   51   52                                       
CONECT    6    4   53   54   55                                       
CONECT    7    4   56   57   58                                       
CONECT    8    9    2   59                                            
CONECT    9   10   10   24    8                                       
CONECT   10   21   11    9    9                                       
CONECT   11   20   20   12   10                                       
CONECT   12   13   13   11   60                                       
CONECT   13   16   14   12   12                                       
CONECT   14   15   13                                                 
CONECT   15   14   61   62   63                                       
CONECT   16   17   17   13   64                                       
CONECT   17   18   16   16   20                                       
CONECT   18   19   17                                                 
CONECT   19   18   65   66   67                                       
CONECT   20   17   11   11   68                                       
CONECT   21   22   22   10   69                                       
CONECT   22   25   21   21   23                                       
CONECT   23   22   28   24   24                                       
CONECT   24   23   23    9                                            
CONECT   25   26   26   22   70                                       
CONECT   26   25   25   27                                            
CONECT   27   26   29   28   28                                       
CONECT   28   27   27   23                                            
CONECT   29   30   27   71                                            
CONECT   30   31   29   72   73                                       
CONECT   31   32   30   34   34                                       
CONECT   32   31   33   33                                            
CONECT   33   32   32   35                                            
CONECT   34   31   31   35   74                                       
CONECT   35   33   34   36                                            
CONECT   36   35   37   41   75                                       
CONECT   37   36   38   76   77                                       
CONECT   38   37   39   78   79                                       
CONECT   39   38   42   40                                            
CONECT   40   39   41   80   81                                       
CONECT   41   36   40   82   83                                       
CONECT   42   39   43   84   85                                       
CONECT   43   48   42   44   44                                       
CONECT   44   43   43   45   86                                       
CONECT   45   46   46   44   87                                       
CONECT   46   47   45   45   88                                       
CONECT   47   48   48   46   89                                       
CONECT   48   47   47   43   90                                       
CONECT   49    3                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60   12                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   25                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   30                                                      
CONECT   74   34                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
CONECT   80   40                                                      
CONECT   81   40                                                      
CONECT   82   41                                                      
CONECT   83   41                                                      
CONECT   84   42                                                      
CONECT   85   42                                                      
CONECT   86   44                                                      
CONECT   87   45                                                      
CONECT   88   46                                                      
CONECT   89   47                                                      
CONECT   90   48                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
