COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.082  -0.417  -2.155  1.00  0.00           C  
HETATM    2  C   UNL     1       4.988  -0.372  -1.087  1.00  0.00           C  
HETATM    3  C   UNL     1       3.622  -0.226  -1.762  1.00  0.00           C  
HETATM    4  C   UNL     1       2.519  -0.306  -0.704  1.00  0.00           C  
HETATM    5  C   UNL     1       1.163  -0.036  -1.360  1.00  0.00           C  
HETATM    6  C   UNL     1       0.077   0.007  -0.284  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.294   0.153  -0.949  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.389   0.071   0.116  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.750   0.341  -0.529  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.829   0.382   0.555  1.00  0.00           C  
HETATM   11  C   UNL     1       5.441   0.661   1.248  1.00  0.00           C  
HETATM   12  C   UNL     1       5.253   2.051  -0.604  1.00  0.00           C  
HETATM   13  C   UNL     1       5.503   2.963   0.577  1.00  0.00           C  
HETATM   14  C   UNL     1       5.199   2.080   1.809  1.00  0.00           C  
HETATM   15  C   UNL     1       2.727  -1.915   1.321  1.00  0.00           C  
HETATM   16  C   UNL     1       3.068  -3.419   1.410  1.00  0.00           C  
HETATM   17  C   UNL     1       2.384  -3.973   0.138  1.00  0.00           C  
HETATM   18  C   UNL     1       2.313  -2.783  -0.793  1.00  0.00           C  
HETATM   19  C   UNL     1       0.352   2.429   0.198  1.00  0.00           C  
HETATM   20  C   UNL     1       0.626   3.340   1.375  1.00  0.00           C  
HETATM   21  C   UNL     1       1.163   2.391   2.471  1.00  0.00           C  
HETATM   22  C   UNL     1       0.546   1.039   2.049  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.166  -1.539   2.139  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.823  -3.043   2.225  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.515  -3.596   0.958  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.594  -2.406   0.028  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.043  -0.405  -0.542  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.646   1.866  -0.265  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.999   1.759  -0.932  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.040   0.313  -1.478  1.00  0.00           C  
HETATM   31  N   UNL     1       5.218   0.769  -0.199  1.00  0.00           N  
HETATM   32  N   UNL     1       2.514  -1.643  -0.105  1.00  0.00           N  
HETATM   33  N   UNL     1       0.313   1.148   0.604  1.00  0.00           N  
HETATM   34  N   UNL     1      -2.389  -1.266   0.715  1.00  0.00           N  
HETATM   35  N   UNL     1      -6.132   0.640  -0.063  1.00  0.00           N  
HETATM   36  O   UNL     1       5.106   2.421  -1.749  1.00  0.00           O  
HETATM   37  O   UNL     1       2.106  -2.846  -1.986  1.00  0.00           O  
HETATM   38  O   UNL     1       0.186   2.802  -0.945  1.00  0.00           O  
HETATM   39  O   UNL     1      -2.809  -2.469  -1.164  1.00  0.00           O  
HETATM   40  O   UNL     1      -6.103   2.906   0.043  1.00  0.00           O  
HETATM   41  H   UNL     1       7.055  -0.521  -1.675  1.00  0.00           H  
HETATM   42  H   UNL     1       5.910  -1.266  -2.816  1.00  0.00           H  
HETATM   43  H   UNL     1       6.061   0.505  -2.736  1.00  0.00           H  
HETATM   44  H   UNL     1       5.009  -1.295  -0.507  1.00  0.00           H  
HETATM   45  H   UNL     1       3.569   0.737  -2.269  1.00  0.00           H  
HETATM   46  H   UNL     1       3.488  -1.027  -2.489  1.00  0.00           H  
HETATM   47  H   UNL     1       2.704   0.438   0.070  1.00  0.00           H  
HETATM   48  H   UNL     1       1.196   0.921  -1.881  1.00  0.00           H  
HETATM   49  H   UNL     1       0.939  -0.830  -2.072  1.00  0.00           H  
HETATM   50  H   UNL     1       0.103  -0.915   0.296  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.351   1.117  -1.455  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.432  -0.648  -1.675  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.200   0.815   0.890  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.721   1.298  -1.050  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.978  -0.453  -1.240  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.857  -0.575   1.076  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.600   1.176   1.265  1.00  0.00           H  
HETATM   58  H   UNL     1       6.465   0.345   1.449  1.00  0.00           H  
HETATM   59  H   UNL     1       4.735  -0.044   1.687  1.00  0.00           H  
HETATM   60  H   UNL     1       6.542   3.293   0.591  1.00  0.00           H  
HETATM   61  H   UNL     1       4.832   3.821   0.545  1.00  0.00           H  
HETATM   62  H   UNL     1       4.165   2.201   2.130  1.00  0.00           H  
HETATM   63  H   UNL     1       5.888   2.299   2.625  1.00  0.00           H  
HETATM   64  H   UNL     1       1.819  -1.700   1.885  1.00  0.00           H  
HETATM   65  H   UNL     1       3.556  -1.317   1.700  1.00  0.00           H  
HETATM   66  H   UNL     1       4.146  -3.577   1.374  1.00  0.00           H  
HETATM   67  H   UNL     1       2.640  -3.864   2.309  1.00  0.00           H  
HETATM   68  H   UNL     1       2.986  -4.767  -0.303  1.00  0.00           H  
HETATM   69  H   UNL     1       1.384  -4.338   0.371  1.00  0.00           H  
HETATM   70  H   UNL     1       1.377   4.085   1.113  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.294   3.824   1.704  1.00  0.00           H  
HETATM   72  H   UNL     1       2.252   2.348   2.445  1.00  0.00           H  
HETATM   73  H   UNL     1       0.810   2.690   3.458  1.00  0.00           H  
HETATM   74  H   UNL     1       1.239   0.226   2.261  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.398   0.877   2.568  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.070  -1.326   2.710  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.335  -0.941   2.513  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.745  -3.200   2.181  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.243  -3.489   3.126  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.916  -4.390   0.512  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.513  -3.963   1.197  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.573  -0.857   0.297  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.489  -1.166  -1.093  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.797   1.914  -0.205  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.082   2.479  -1.746  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.698   0.278  -2.513  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.039  -0.112  -1.385  1.00  0.00           H  
CONECT    1    2   41   42   43                                       
CONECT    2    1    3   31   44                                       
CONECT    3    4    2   45   46                                       
CONECT    4   32    5    3   47                                       
CONECT    5    6    4   48   49                                       
CONECT    6   33    5    7   50                                       
CONECT    7    6    8   51   52                                       
CONECT    8    9    7   34   53                                       
CONECT    9   10    8   54   55                                       
CONECT   10   35    9   56   57                                       
CONECT   11   14   31   58   59                                       
CONECT   12   31   13   36   36                                       
CONECT   13   14   12   60   61                                       
CONECT   14   11   13   62   63                                       
CONECT   15   16   32   64   65                                       
CONECT   16   17   15   66   67                                       
CONECT   17   18   16   68   69                                       
CONECT   18   37   37   17   32                                       
CONECT   19   20   33   38   38                                       
CONECT   20   21   19   70   71                                       
CONECT   21   22   20   72   73                                       
CONECT   22   21   33   74   75                                       
CONECT   23   34   24   76   77                                       
CONECT   24   25   23   78   79                                       
CONECT   25   26   24   80   81                                       
CONECT   26   39   39   34   25                                       
CONECT   27   30   35   82   83                                       
CONECT   28   35   29   40   40                                       
CONECT   29   30   28   84   85                                       
CONECT   30   27   29   86   87                                       
CONECT   31   11    2   12                                            
CONECT   32   18    4   15                                            
CONECT   33   22   19    6                                            
CONECT   34    8   26   23                                            
CONECT   35   27   10   28                                            
CONECT   36   12   12                                                 
CONECT   37   18   18                                                 
CONECT   38   19   19                                                 
CONECT   39   26   26                                                 
CONECT   40   28   28                                                 
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   24                                                      
CONECT   79   24                                                      
CONECT   80   25                                                      
CONECT   81   25                                                      
CONECT   82   27                                                      
CONECT   83   27                                                      
CONECT   84   29                                                      
CONECT   85   29                                                      
CONECT   86   30                                                      
CONECT   87   30                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
