COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.088   2.993   0.253  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.506   3.896  -0.636  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.288   2.068   0.925  1.00  0.00           C  
HETATM    4  N   UNL     1       3.711   1.726   0.206  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.573   4.196   1.011  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.319   1.840   0.419  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.704   1.918   0.651  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.120  -0.172   0.209  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.194  -1.629  -0.024  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.332  -2.447   0.143  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.166  -2.441  -0.452  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.895  -4.880  -0.949  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.694  -1.986   0.593  1.00  0.00           C  
HETATM   14  C   UNL     1       0.860   3.864  -0.843  1.00  0.00           C  
HETATM   15  C   UNL     1       1.489   4.844  -1.812  1.00  0.00           C  
HETATM   16  C   UNL     1       3.753   4.174   0.223  1.00  0.00           C  
HETATM   17  C   UNL     1       2.299   5.866  -1.010  1.00  0.00           C  
HETATM   18  C   UNL     1       3.697   5.351  -0.731  1.00  0.00           C  
HETATM   19  C   UNL     1       4.314  -0.650   0.152  1.00  0.00           C  
HETATM   20  C   UNL     1       6.278  -4.280  -0.788  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.895  -5.905   0.187  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.547  -5.493  -2.190  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.758  -2.007  -0.766  1.00  0.00           C  
HETATM   24  C   UNL     1       1.075   2.051   0.707  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.550   3.019   0.489  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.208   4.210   0.798  1.00  0.00           C  
HETATM   27  N   UNL     1      -5.271   3.079   0.935  1.00  0.00           N  
HETATM   28  N   UNL     1      -5.186   0.633   0.512  1.00  0.00           N  
HETATM   29  N   UNL     1      -3.024   0.547   0.153  1.00  0.00           N  
HETATM   30  N   UNL     1      -4.999  -3.672  -0.161  1.00  0.00           N  
HETATM   31  N   UNL     1      -3.651  -3.694  -0.535  1.00  0.00           N  
HETATM   32  C   UNL     1       1.642   2.952  -0.180  1.00  0.00           C  
HETATM   33  C   UNL     1       3.139   2.924  -0.413  1.00  0.00           C  
HETATM   34  C   UNL     1       3.735   0.562  -0.474  1.00  0.00           C  
HETATM   35  O   UNL     1       3.283   0.507  -1.600  1.00  0.00           O  
HETATM   36  N   UNL     1       4.404  -1.848  -0.389  1.00  0.00           N  
HETATM   37  C   UNL     1       4.997  -2.619   0.535  1.00  0.00           C  
HETATM   38  N   UNL     1       5.236  -1.873   1.574  1.00  0.00           N  
HETATM   39  O   UNL     1       4.852  -0.739   1.378  1.00  0.00           O  
HETATM   40  C   UNL     1       5.327  -4.082   0.395  1.00  0.00           C  
HETATM   41  C   UNL     1       4.040  -4.874   0.152  1.00  0.00           C  
HETATM   42  C   UNL     1       5.997  -4.579   1.677  1.00  0.00           C  
HETATM   43  H   UNL     1      -1.118   4.615  -1.160  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.734   1.367   1.615  1.00  0.00           H  
HETATM   45  H   UNL     1       4.072   1.770   1.105  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.080   5.119   1.250  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.869  -4.594  -1.181  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.250  -1.605  -0.263  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.235  -2.825   1.033  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.583  -1.196   1.336  1.00  0.00           H  
HETATM   51  H   UNL     1       2.148   4.310  -2.496  1.00  0.00           H  
HETATM   52  H   UNL     1       0.708   5.352  -2.377  1.00  0.00           H  
HETATM   53  H   UNL     1       4.792   3.971   0.481  1.00  0.00           H  
HETATM   54  H   UNL     1       3.201   4.422   1.129  1.00  0.00           H  
HETATM   55  H   UNL     1       2.366   6.794  -1.577  1.00  0.00           H  
HETATM   56  H   UNL     1       1.794   6.061  -0.064  1.00  0.00           H  
HETATM   57  H   UNL     1       4.288   6.164  -0.311  1.00  0.00           H  
HETATM   58  H   UNL     1       4.150   5.051  -1.676  1.00  0.00           H  
HETATM   59  H   UNL     1       7.194  -3.716  -0.615  1.00  0.00           H  
HETATM   60  H   UNL     1       6.516  -5.339  -0.889  1.00  0.00           H  
HETATM   61  H   UNL     1       5.800  -3.926  -1.701  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.333  -6.787  -0.121  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.431  -5.469   1.071  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.921  -6.191   0.419  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.547  -4.762  -2.998  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.985  -6.375  -2.497  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.573  -5.778  -1.958  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.147  -2.072   0.134  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.341  -2.656  -1.536  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.767  -0.978  -1.125  1.00  0.00           H  
HETATM   71  H   UNL     1       1.698   1.337   1.225  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.655   5.135   0.869  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.109   0.351   0.611  1.00  0.00           H  
HETATM   74  H   UNL     1       3.343   2.920  -1.483  1.00  0.00           H  
HETATM   75  H   UNL     1       4.279  -5.933   0.051  1.00  0.00           H  
HETATM   76  H   UNL     1       3.363  -4.733   0.994  1.00  0.00           H  
HETATM   77  H   UNL     1       3.563  -4.520  -0.762  1.00  0.00           H  
HETATM   78  H   UNL     1       6.914  -4.015   1.850  1.00  0.00           H  
HETATM   79  H   UNL     1       5.320  -4.438   2.519  1.00  0.00           H  
HETATM   80  H   UNL     1       6.236  -5.638   1.576  1.00  0.00           H  
CONECT    1   25    2    2    3                                       
CONECT    2    1    1   14   43                                       
CONECT    3    1   24   24   44                                       
CONECT    4   33   34   45                                            
CONECT    5   27   26   26   46                                       
CONECT    6    7   29   25   25                                       
CONECT    7   28   27   27    6                                       
CONECT    8    9   28   29   29                                       
CONECT    9   11   11   10    8                                       
CONECT   10   30   30    9   13                                       
CONECT   11   31   23    9    9                                       
CONECT   12   22   21   31   47                                       
CONECT   13   10   48   49   50                                       
CONECT   14    2   15   32   32                                       
CONECT   15   17   14   51   52                                       
CONECT   16   18   33   53   54                                       
CONECT   17   15   18   55   56                                       
CONECT   18   17   16   57   58                                       
CONECT   19   34   36   36   39                                       
CONECT   20   40   59   60   61                                       
CONECT   21   12   62   63   64                                       
CONECT   22   12   65   66   67                                       
CONECT   23   11   68   69   70                                       
CONECT   24    3    3   32   71                                       
CONECT   25    6    6   26    1                                       
CONECT   26    5    5   25   72                                       
CONECT   27    7    7    5                                            
CONECT   28    8    7   73                                            
CONECT   29    8    8    6                                            
CONECT   30   31   10   10                                            
CONECT   31   12   30   11                                            
CONECT   32   14   14   24   33                                       
CONECT   33   32   16    4   74                                       
CONECT   34    4   35   35   19                                       
CONECT   35   34   34                                                 
CONECT   36   19   19   37                                            
CONECT   37   36   38   38   40                                       
CONECT   38   39   37   37                                            
CONECT   39   19   38                                                 
CONECT   40   20   37   41   42                                       
CONECT   41   40   75   76   77                                       
CONECT   42   40   78   79   80                                       
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   26                                                      
CONECT   73   28                                                      
CONECT   74   33                                                      
CONECT   75   41                                                      
CONECT   76   41                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
CONECT   79   42                                                      
CONECT   80   42                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
