COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.970   1.600  -1.403  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.370   0.720  -0.398  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.233   0.137   0.125  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.167   0.658  -0.555  1.00  0.00           N  
HETATM    5  N   UNL     1      -4.664   1.565  -1.498  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.818   0.339  -0.345  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.436  -0.991  -0.187  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.114  -1.318   0.019  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.153  -0.317   0.072  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.529   1.028  -0.086  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.873   1.347  -0.301  1.00  0.00           C  
HETATM   12  N   UNL     1       1.217  -0.315   0.259  1.00  0.00           N  
HETATM   13  C   UNL     1       1.630   0.989   0.212  1.00  0.00           C  
HETATM   14  N   UNL     1       0.600   1.773   0.006  1.00  0.00           N  
HETATM   15  C   UNL     1       3.027   1.444   0.367  1.00  0.00           C  
HETATM   16  C   UNL     1       3.803   0.969   1.420  1.00  0.00           C  
HETATM   17  C   UNL     1       5.123   1.399   1.556  1.00  0.00           C  
HETATM   18  C   UNL     1       5.661   2.305   0.636  1.00  0.00           C  
HETATM   19  C   UNL     1       4.892   2.774  -0.405  1.00  0.00           C  
HETATM   20  C   UNL     1       3.578   2.352  -0.550  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.179  -0.858   1.209  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.231  -1.581   1.684  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.727  -2.402   2.712  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.408  -2.144   2.814  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.079  -1.215   1.901  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.459  -2.794   3.787  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.889   2.447  -2.244  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.470   3.915  -2.138  1.00  0.00           C  
HETATM   29  C   UNL     1       2.068  -1.490   0.468  1.00  0.00           C  
HETATM   30  C   UNL     1       2.590  -1.975  -0.860  1.00  0.00           C  
HETATM   31  C   UNL     1       3.807  -1.575  -1.296  1.00  0.00           C  
HETATM   32  N   UNL     1       4.291  -2.004  -2.490  1.00  0.00           N  
HETATM   33  C   UNL     1       3.571  -2.836  -3.265  1.00  0.00           C  
HETATM   34  C   UNL     1       2.304  -3.272  -2.842  1.00  0.00           C  
HETATM   35  C   UNL     1       1.818  -2.846  -1.641  1.00  0.00           C  
HETATM   36  O   UNL     1       4.019  -3.213  -4.336  1.00  0.00           O  
HETATM   37  O   UNL     1       2.828   2.813  -1.581  1.00  0.00           O  
HETATM   38  C   UNL     1       5.950   0.899   2.671  1.00  0.00           C  
HETATM   39  O   UNL     1       7.225   1.315   2.803  1.00  0.00           O  
HETATM   40  O   UNL     1       5.482   0.113   3.470  1.00  0.00           O  
HETATM   41  H   UNL     1      -7.385   0.529  -0.085  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.182  -1.772  -0.227  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.825  -2.351   0.141  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.173   2.378  -0.424  1.00  0.00           H  
HETATM   45  H   UNL     1       3.384   0.270   2.129  1.00  0.00           H  
HETATM   46  H   UNL     1       6.684   2.637   0.743  1.00  0.00           H  
HETATM   47  H   UNL     1       5.314   3.474  -1.112  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.253  -1.534   1.340  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.292  -3.105   3.306  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.032  -3.689   3.334  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.659  -2.096   4.036  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.998  -3.067   4.694  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.828   2.126  -3.284  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.913   2.334  -1.889  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.532   4.235  -1.098  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.446   4.027  -2.493  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.135   4.527  -2.747  1.00  0.00           H  
HETATM   58  H   UNL     1       2.905  -1.221   1.112  1.00  0.00           H  
HETATM   59  H   UNL     1       1.485  -2.280   0.941  1.00  0.00           H  
HETATM   60  H   UNL     1       4.400  -0.907  -0.688  1.00  0.00           H  
HETATM   61  H   UNL     1       1.723  -3.943  -3.459  1.00  0.00           H  
HETATM   62  H   UNL     1       0.846  -3.170  -1.299  1.00  0.00           H  
HETATM   63  H   UNL     1       2.396   3.660  -1.405  1.00  0.00           H  
HETATM   64  H   UNL     1       7.727   0.960   3.548  1.00  0.00           H  
HETATM   65  H   UNL     1       5.165  -1.707  -2.787  1.00  0.00           H  
CONECT    1    5    5   27    2                                       
CONECT    2    1    3    3   41                                       
CONECT    3    4    2    2   21                                       
CONECT    4    6    5    3                                            
CONECT    5    4    1    1                                            
CONECT    6   11    4    7    7                                       
CONECT    7    6    6    8   42                                       
CONECT    8    9    9    7   43                                       
CONECT    9   10   12    8    8                                       
CONECT   10   14   11   11    9                                       
CONECT   11   10   10    6   44                                       
CONECT   12   13    9   29                                            
CONECT   13   15   14   14   12                                       
CONECT   14   13   13   10                                            
CONECT   15   16   16   20   13                                       
CONECT   16   17   15   15   45                                       
CONECT   17   38   18   18   16                                       
CONECT   18   17   17   19   46                                       
CONECT   19   18   20   20   47                                       
CONECT   20   19   19   15   37                                       
CONECT   21    3   25   22   22                                       
CONECT   22   21   21   23   48                                       
CONECT   23   24   24   22   49                                       
CONECT   24   25   26   23   23                                       
CONECT   25   21   24                                                 
CONECT   26   24   50   51   52                                       
CONECT   27   28    1   53   54                                       
CONECT   28   27   55   56   57                                       
CONECT   29   12   30   58   59                                       
CONECT   30   35   29   31   31                                       
CONECT   31   30   30   32   60                                       
CONECT   32   33   31   65                                            
CONECT   33   34   36   36   32                                       
CONECT   34   35   35   33   61                                       
CONECT   35   34   34   30   62                                       
CONECT   36   33   33                                                 
CONECT   37   20   63                                                 
CONECT   38   40   40   39   17                                       
CONECT   39   38   64                                                 
CONECT   40   38   38                                                 
CONECT   41    2                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44   11                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
CONECT   60   31                                                      
CONECT   61   34                                                      
CONECT   62   35                                                      
CONECT   63   37                                                      
CONECT   64   39                                                      
CONECT   65   32                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
