COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.193   1.051   0.375  1.00  0.00           C  
HETATM    2  O   UNL     1       4.239   1.585   1.462  1.00  0.00           O  
HETATM    3  C   UNL     1       5.462   0.584  -0.290  1.00  0.00           C  
HETATM    4  O   UNL     1       6.578   0.881   0.552  1.00  0.00           O  
HETATM    5  C   UNL     1       7.807   0.523   0.096  1.00  0.00           C  
HETATM    6  C   UNL     1       8.935   0.781   0.862  1.00  0.00           C  
HETATM    7  C   UNL     1      10.183   0.416   0.396  1.00  0.00           C  
HETATM    8  C   UNL     1      10.309  -0.207  -0.831  1.00  0.00           C  
HETATM    9  C   UNL     1       9.187  -0.466  -1.597  1.00  0.00           C  
HETATM   10  C   UNL     1       7.936  -0.108  -1.133  1.00  0.00           C  
HETATM   11  N   UNL     1       3.006   0.869  -0.236  1.00  0.00           N  
HETATM   12  C   UNL     1       1.771   1.317   0.413  1.00  0.00           C  
HETATM   13  C   UNL     1       0.610   0.507  -0.103  1.00  0.00           C  
HETATM   14  O   UNL     1       0.655   0.021  -1.213  1.00  0.00           O  
HETATM   15  C   UNL     1       1.539   2.797   0.101  1.00  0.00           C  
HETATM   16  C   UNL     1       1.305   2.971  -1.401  1.00  0.00           C  
HETATM   17  C   UNL     1       0.314   3.295   0.870  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.216   0.791  -1.378  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.412   1.475  -1.265  1.00  0.00           C  
HETATM   20  C   UNL     1     -10.203   1.303  -0.145  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.798   0.447   0.863  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.602  -0.237   0.749  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.811  -0.065  -0.371  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.510  -0.815  -0.498  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.379   0.020   0.107  1.00  0.00           C  
HETATM   26  O   UNL     1      -5.595   0.168   1.512  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.042  -0.684  -0.132  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.820  -0.836  -1.576  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.911   0.151   0.473  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.908   1.450  -0.122  1.00  0.00           O  
HETATM   31  C   UNL     1      -1.570  -0.536   0.205  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.522  -1.870   0.953  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.256  -2.603   0.592  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.240  -3.466  -0.487  1.00  0.00           C  
HETATM   35  C   UNL     1       0.922  -4.138  -0.818  1.00  0.00           C  
HETATM   36  C   UNL     1       2.068  -3.947  -0.069  1.00  0.00           C  
HETATM   37  C   UNL     1       2.052  -3.083   1.010  1.00  0.00           C  
HETATM   38  C   UNL     1       0.892  -2.408   1.338  1.00  0.00           C  
HETATM   39  N   UNL     1      -0.479   0.324   0.670  1.00  0.00           N  
HETATM   40  H   UNL     1       5.410  -0.492  -0.458  1.00  0.00           H  
HETATM   41  H   UNL     1       5.581   1.095  -1.245  1.00  0.00           H  
HETATM   42  H   UNL     1       8.837   1.268   1.821  1.00  0.00           H  
HETATM   43  H   UNL     1      11.061   0.617   0.992  1.00  0.00           H  
HETATM   44  H   UNL     1      11.286  -0.492  -1.194  1.00  0.00           H  
HETATM   45  H   UNL     1       9.288  -0.952  -2.556  1.00  0.00           H  
HETATM   46  H   UNL     1       7.060  -0.310  -1.732  1.00  0.00           H  
HETATM   47  H   UNL     1       2.968   0.441  -1.106  1.00  0.00           H  
HETATM   48  H   UNL     1       1.858   1.183   1.491  1.00  0.00           H  
HETATM   49  H   UNL     1       2.415   3.373   0.401  1.00  0.00           H  
HETATM   50  H   UNL     1       0.429   2.395  -1.701  1.00  0.00           H  
HETATM   51  H   UNL     1       1.140   4.026  -1.623  1.00  0.00           H  
HETATM   52  H   UNL     1       2.178   2.617  -1.949  1.00  0.00           H  
HETATM   53  H   UNL     1       0.472   3.149   1.939  1.00  0.00           H  
HETATM   54  H   UNL     1       0.163   4.355   0.666  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.566   2.735   0.553  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.600   0.922  -2.256  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.728   2.143  -2.052  1.00  0.00           H  
HETATM   58  H   UNL     1     -11.137   1.837  -0.056  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.415   0.313   1.738  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.285  -0.906   1.536  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.585  -1.764   0.033  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.300  -1.003  -1.551  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.361   1.003  -0.364  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.622  -0.669   1.996  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.059  -1.667   0.338  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.697   0.062  -2.020  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.033  -1.441  -1.759  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.063   0.244   1.548  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.777   1.444  -1.080  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.461  -0.716  -0.865  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.542  -1.686   2.027  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.385  -2.475   0.672  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.136  -3.615  -1.072  1.00  0.00           H  
HETATM   74  H   UNL     1       0.934  -4.813  -1.661  1.00  0.00           H  
HETATM   75  H   UNL     1       2.975  -4.473  -0.327  1.00  0.00           H  
HETATM   76  H   UNL     1       2.948  -2.934   1.595  1.00  0.00           H  
HETATM   77  H   UNL     1       0.881  -1.730   2.179  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.541   0.761   1.533  1.00  0.00           H  
CONECT    1   11    2    2    3                                       
CONECT    2    1    1                                                 
CONECT    3    4    1   40   41                                       
CONECT    4    5    3                                                 
CONECT    5   10    4    6    6                                       
CONECT    6    5    5    7   42                                       
CONECT    7    8    8    6   43                                       
CONECT    8    9    7    7   44                                       
CONECT    9   10   10    8   45                                       
CONECT   10    9    9    5   46                                       
CONECT   11   12    1   47                                            
CONECT   12   13   15   11   48                                       
CONECT   13   14   14   39   12                                       
CONECT   14   13   13                                                 
CONECT   15   17   12   16   49                                       
CONECT   16   15   50   51   52                                       
CONECT   17   15   53   54   55                                       
CONECT   18   19   23   23   56                                       
CONECT   19   20   20   18   57                                       
CONECT   20   19   19   21   58                                       
CONECT   21   20   22   22   59                                       
CONECT   22   21   21   23   60                                       
CONECT   23   18   18   22   24                                       
CONECT   24   23   25   61   62                                       
CONECT   25   26   24   27   63                                       
CONECT   26   25   64                                                 
CONECT   27   25   28   29   65                                       
CONECT   28   27   66   67                                            
CONECT   29   27   31   30   68                                       
CONECT   30   29   69                                                 
CONECT   31   29   32   39   70                                       
CONECT   32   31   33   71   72                                       
CONECT   33   34   32   38   38                                       
CONECT   34   35   35   33   73                                       
CONECT   35   34   34   36   74                                       
CONECT   36   35   37   37   75                                       
CONECT   37   36   36   38   76                                       
CONECT   38   33   33   37   77                                       
CONECT   39   31   13   78                                            
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   32                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   38                                                      
CONECT   78   39                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
