COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.906   3.705  -0.169  1.00  0.00           C  
HETATM    2  C   UNL     1       3.555   2.402  -0.184  1.00  0.00           C  
HETATM    3  C   UNL     1       2.860   1.231  -0.203  1.00  0.00           C  
HETATM    4  C   UNL     1       1.449   1.244  -0.222  1.00  0.00           C  
HETATM    5  C   UNL     1       0.725   2.570  -0.213  1.00  0.00           C  
HETATM    6  C   UNL     1       1.567   3.827  -0.185  1.00  0.00           C  
HETATM    7  N   UNL     1       3.694   4.858  -0.143  1.00  0.00           N  
HETATM    8  C   UNL     1       3.060   6.178  -0.134  1.00  0.00           C  
HETATM    9  C   UNL     1       5.155   4.746  -0.126  1.00  0.00           C  
HETATM   10  O   UNL     1       3.541   0.058  -0.209  1.00  0.00           O  
HETATM   11  C   UNL     1       0.745   0.074  -0.247  1.00  0.00           C  
HETATM   12  C   UNL     1       2.909  -1.138  -0.235  1.00  0.00           C  
HETATM   13  C   UNL     1       3.637  -2.316  -0.241  1.00  0.00           C  
HETATM   14  C   UNL     1       2.977  -3.538  -0.267  1.00  0.00           C  
HETATM   15  C   UNL     1       1.586  -3.588  -0.287  1.00  0.00           C  
HETATM   16  C   UNL     1       0.851  -2.422  -0.280  1.00  0.00           C  
HETATM   17  C   UNL     1       1.507  -1.192  -0.254  1.00  0.00           C  
HETATM   18  N   UNL     1       3.713  -4.722  -0.273  1.00  0.00           N  
HETATM   19  C   UNL     1       3.026  -6.012  -0.173  1.00  0.00           C  
HETATM   20  C   UNL     1       5.174  -4.676  -0.380  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.730   0.074  -0.266  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.454  -0.264   0.896  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.848  -0.255   0.865  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.512   0.074  -0.306  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.794   0.402  -1.452  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.416   0.402  -1.436  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.741  -0.614   2.138  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.437  -0.926   3.249  1.00  0.00           O  
HETATM   29  O   UNL     1       0.474  -0.620   2.160  1.00  0.00           O  
HETATM   30  N   UNL     1      -4.912   0.078  -0.336  1.00  0.00           N  
HETATM   31  C   UNL     1      -5.667  -0.370  -1.355  1.00  0.00           C  
HETATM   32  O   UNL     1      -5.251  -0.841  -2.393  1.00  0.00           O  
HETATM   33  C   UNL     1      -7.091  -0.192  -0.995  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.116   0.358   0.231  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.707   0.524   0.653  1.00  0.00           C  
HETATM   36  O   UNL     1      -5.333   0.992   1.709  1.00  0.00           O  
HETATM   37  H   UNL     1       4.635   2.363  -0.174  1.00  0.00           H  
HETATM   38  H   UNL     1       0.094   2.611  -1.100  1.00  0.00           H  
HETATM   39  H   UNL     1       1.102   4.802  -0.177  1.00  0.00           H  
HETATM   40  H   UNL     1       3.830   6.950  -0.113  1.00  0.00           H  
HETATM   41  H   UNL     1       2.452   6.296  -1.030  1.00  0.00           H  
HETATM   42  H   UNL     1       2.428   6.272   0.750  1.00  0.00           H  
HETATM   43  H   UNL     1       5.595   5.743  -0.106  1.00  0.00           H  
HETATM   44  H   UNL     1       5.466   4.194   0.761  1.00  0.00           H  
HETATM   45  H   UNL     1       5.490   4.218  -1.018  1.00  0.00           H  
HETATM   46  H   UNL     1       4.716  -2.285  -0.225  1.00  0.00           H  
HETATM   47  H   UNL     1       1.081  -4.543  -0.307  1.00  0.00           H  
HETATM   48  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.228  -2.461  -0.295  1.00  0.00           H  
HETATM   50  H   UNL     1       2.782  -6.373  -1.172  1.00  0.00           H  
HETATM   51  H   UNL     1       3.676  -6.732   0.325  1.00  0.00           H  
HETATM   52  H   UNL     1       2.109  -5.891   0.404  1.00  0.00           H  
HETATM   53  H   UNL     1       5.508  -3.639  -0.354  1.00  0.00           H  
HETATM   54  H   UNL     1       5.616  -5.221   0.454  1.00  0.00           H  
HETATM   55  H   UNL     1       5.484  -5.135  -1.319  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.409  -0.508   1.752  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.320   0.657  -2.360  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.866   0.658  -2.330  1.00  0.00           H  
HETATM   59  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.946  -0.454  -1.601  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.994   0.623   0.800  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    1    1    3   37                                       
CONECT    3    2    4    4   10                                       
CONECT    4    3    3    5   11                                       
CONECT    5    4    6    6   38                                       
CONECT    6    1    5    5   39                                       
CONECT    7    1    8    9                                            
CONECT    8    7   40   41   42                                       
CONECT    9    7   43   44   45                                       
CONECT   10    3   12                                                 
CONECT   11    4   17   17   21                                       
CONECT   12   10   13   13   17                                       
CONECT   13   12   12   14   46                                       
CONECT   14   13   15   15   18                                       
CONECT   15   14   14   16   47                                       
CONECT   16   15   17   48   49                                       
CONECT   17   11   11   12   16                                       
CONECT   18   14   19   20                                            
CONECT   19   18   50   51   52                                       
CONECT   20   18   53   54   55                                       
CONECT   21   11   22   22   26                                       
CONECT   22   21   21   23   27                                       
CONECT   23   22   24   24   56                                       
CONECT   24   23   23   25   30                                       
CONECT   25   24   26   26   57                                       
CONECT   26   21   25   25   58                                       
CONECT   27   22   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   59                                                 
CONECT   30   24   31   35                                            
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34   34   60                                       
CONECT   34   33   33   35   61                                       
CONECT   35   30   34   36   36                                       
CONECT   36   35   35                                                 
CONECT   37    2                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   13                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   23                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   29                                                      
CONECT   60   33                                                      
CONECT   61   34                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
