COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.964  -0.361   0.306  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.002   0.133   0.140  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.644   4.713   2.278  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.252  -0.370  -0.553  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.886  -0.154  -2.250  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.901   0.036  -0.121  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.136   0.105   0.808  1.00  0.00           C  
HETATM    8  C   UNL     1       7.291  -0.575   2.808  1.00  0.00           C  
HETATM    9  C   UNL     1       6.308  -1.906   0.906  1.00  0.00           C  
HETATM   10  C   UNL     1       5.109  -1.887   0.175  1.00  0.00           C  
HETATM   11  C   UNL     1       4.900  -2.809  -0.848  1.00  0.00           C  
HETATM   12  C   UNL     1       5.874  -3.739  -1.137  1.00  0.00           C  
HETATM   13  C   UNL     1       7.059  -3.760  -0.416  1.00  0.00           C  
HETATM   14  C   UNL     1       7.277  -2.857   0.602  1.00  0.00           C  
HETATM   15  C   UNL     1       4.309  -0.785   0.738  1.00  0.00           C  
HETATM   16  C   UNL     1       0.704  -0.778   0.095  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.666  -1.207   0.010  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.294   0.553  -0.138  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.039   2.660   0.944  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.477   4.086   1.158  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.530  -0.624   0.036  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.098  -2.025   0.309  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.913  -1.709  -0.689  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.624  -2.128  -0.405  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.321  -4.330  -0.975  1.00  0.00           C  
HETATM   26  C   UNL     1       1.471   1.245  -0.704  1.00  0.00           C  
HETATM   27  C   UNL     1       2.769   0.899  -0.310  1.00  0.00           C  
HETATM   28  C   UNL     1       3.896   1.817  -0.529  1.00  0.00           C  
HETATM   29  C   UNL     1       4.869   3.817  -1.399  1.00  0.00           C  
HETATM   30  C   UNL     1       5.600   3.428  -2.685  1.00  0.00           C  
HETATM   31  C   UNL     1       4.413   5.274  -1.492  1.00  0.00           C  
HETATM   32  C   UNL     1       5.055  -0.236   1.736  1.00  0.00           C  
HETATM   33  N   UNL     1       6.239  -0.895   1.840  1.00  0.00           N  
HETATM   34  N   UNL     1       1.913  -1.157   0.483  1.00  0.00           N  
HETATM   35  N   UNL     1      -0.360  -1.633   0.296  1.00  0.00           N  
HETATM   36  N   UNL     1      -3.637   1.906   0.000  1.00  0.00           N  
HETATM   37  N   UNL     1      -5.558   0.053  -0.834  1.00  0.00           N  
HETATM   38  N   UNL     1      -8.872  -0.641   0.749  1.00  0.00           N  
HETATM   39  N   UNL     1       0.484   0.398  -0.481  1.00  0.00           N  
HETATM   40  O   UNL     1      -2.149   2.191   1.621  1.00  0.00           O  
HETATM   41  O   UNL     1      -2.291  -3.441  -0.539  1.00  0.00           O  
HETATM   42  O   UNL     1       3.711   2.958  -1.222  1.00  0.00           O  
HETATM   43  O   UNL     1       4.995   1.547  -0.084  1.00  0.00           O  
HETATM   44  H   UNL     1      -1.259   0.847   0.462  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.960   5.744   2.433  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.789   4.146   3.198  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.590   4.694   2.002  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.803  -1.214  -2.491  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.905   0.183  -2.441  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.193   0.415  -2.871  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.833   1.087   0.160  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.226  -0.043  -1.158  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.559   0.183  -0.194  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.837  -0.419   1.458  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.951   1.104   1.203  1.00  0.00           H  
HETATM   56  H   UNL     1       7.974   0.156   2.374  1.00  0.00           H  
HETATM   57  H   UNL     1       6.841  -0.161   3.711  1.00  0.00           H  
HETATM   58  H   UNL     1       7.841  -1.482   3.059  1.00  0.00           H  
HETATM   59  H   UNL     1       3.978  -2.796  -1.411  1.00  0.00           H  
HETATM   60  H   UNL     1       5.717  -4.453  -1.932  1.00  0.00           H  
HETATM   61  H   UNL     1       7.816  -4.494  -0.651  1.00  0.00           H  
HETATM   62  H   UNL     1       8.203  -2.881   1.157  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.531   4.106   1.434  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.332   4.653   0.238  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.205  -0.545   1.074  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.598  -1.675  -0.245  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.157  -2.574   0.342  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.821  -2.503   0.970  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.483  -2.024  -0.711  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.655  -2.424  -1.010  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.680  -4.018  -1.956  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.924  -5.343  -1.039  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.146  -4.308  -0.262  1.00  0.00           H  
HETATM   74  H   UNL     1       1.278   2.199  -1.174  1.00  0.00           H  
HETATM   75  H   UNL     1       5.541   3.700  -0.549  1.00  0.00           H  
HETATM   76  H   UNL     1       5.925   2.389  -2.619  1.00  0.00           H  
HETATM   77  H   UNL     1       4.927   3.545  -3.535  1.00  0.00           H  
HETATM   78  H   UNL     1       6.469   4.072  -2.818  1.00  0.00           H  
HETATM   79  H   UNL     1       3.740   5.391  -2.342  1.00  0.00           H  
HETATM   80  H   UNL     1       3.892   5.552  -0.576  1.00  0.00           H  
HETATM   81  H   UNL     1       5.282   5.919  -1.625  1.00  0.00           H  
HETATM   82  H   UNL     1       4.751   0.598   2.351  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.206  -2.528   0.636  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.305   2.300  -0.584  1.00  0.00           H  
CONECT    1   27   15   34   34                                       
CONECT    2   17   17   18   44                                       
CONECT    3   20   45   46   47                                       
CONECT    4   23   37   18   18                                       
CONECT    5   37   48   49   50                                       
CONECT    6   21   38   51   52                                       
CONECT    7   38   53   54   55                                       
CONECT    8   33   56   57   58                                       
CONECT    9   14   14   10   33                                       
CONECT   10   11   11    9   15                                       
CONECT   11   12   10   10   59                                       
CONECT   12   13   13   11   60                                       
CONECT   13   12   12   14   61                                       
CONECT   14   13    9    9   62                                       
CONECT   15   10    1   32   32                                       
CONECT   16   39   39   34   35                                       
CONECT   17   24   35    2    2                                       
CONECT   18    4    4    2   36                                       
CONECT   19   36   40   40   20                                       
CONECT   20   19    3   63   64                                       
CONECT   21   37    6   65   66                                       
CONECT   22   38   67   68   69                                       
CONECT   23   24   24    4   70                                       
CONECT   24   41   23   23   17                                       
CONECT   25   41   71   72   73                                       
CONECT   26   27   27   39   74                                       
CONECT   27   28   26   26    1                                       
CONECT   28   42   27   43   43                                       
CONECT   29   31   30   42   75                                       
CONECT   30   29   76   77   78                                       
CONECT   31   29   79   80   81                                       
CONECT   32   15   15   33   82                                       
CONECT   33    9   32    8                                            
CONECT   34    1    1   16                                            
CONECT   35   16   17   83                                            
CONECT   36   18   19   84                                            
CONECT   37    5    4   21                                            
CONECT   38    6    7   22                                            
CONECT   39   26   16   16                                            
CONECT   40   19   19                                                 
CONECT   41   25   24                                                 
CONECT   42   29   28                                                 
CONECT   43   28   28                                                 
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
CONECT   83   35                                                      
CONECT   84   36                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
