COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.240   2.823  -0.614  1.00  0.00           C  
HETATM    2  N   UNL     1       1.519   5.237  -0.607  1.00  0.00           N  
HETATM    3  O   UNL     1       1.170   2.873  -1.824  1.00  0.00           O  
HETATM    4  C   UNL     1       1.103   4.083   0.201  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.356   4.258   0.628  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.474   5.467   1.558  1.00  0.00           C  
HETATM    7  C   UNL     1       2.976   5.415  -0.561  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.550   0.327  -0.041  1.00  0.00           O  
HETATM    9  O   UNL     1      -0.408   0.343  -2.035  1.00  0.00           O  
HETATM   10  C   UNL     1      11.184  -1.030  -0.394  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.582  -1.301  -2.691  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.161  -0.440   3.794  1.00  0.00           C  
HETATM   13  C   UNL     1      10.595  -0.591   0.777  1.00  0.00           C  
HETATM   14  C   UNL     1      10.460  -1.799  -1.286  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.253   0.030  -2.512  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.807  -2.288  -2.113  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.139   0.781   3.146  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.859  -1.597   3.099  1.00  0.00           C  
HETATM   19  C   UNL     1       9.283  -0.924   1.058  1.00  0.00           C  
HETATM   20  C   UNL     1       9.148  -2.132  -1.005  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.148   0.373  -1.756  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.701  -1.945  -1.357  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.817   0.846   1.804  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.538  -1.532   1.756  1.00  0.00           C  
HETATM   25  C   UNL     1       4.829  -1.349   0.207  1.00  0.00           C  
HETATM   26  C   UNL     1       3.931  -0.256  -0.375  1.00  0.00           C  
HETATM   27  C   UNL     1       2.225  -0.552   1.428  1.00  0.00           C  
HETATM   28  C   UNL     1       0.756  -0.794   1.759  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.015  -2.531   1.417  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.785  -2.987   0.158  1.00  0.00           C  
HETATM   31  C   UNL     1       7.129  -2.058   0.472  1.00  0.00           C  
HETATM   32  N   UNL     1       6.235  -1.027  -0.073  1.00  0.00           N  
HETATM   33  N   UNL     1       1.436   1.640   0.001  1.00  0.00           N  
HETATM   34  N   UNL     1      -4.072  -1.172  -0.641  1.00  0.00           N  
HETATM   35  C   UNL     1      -2.794  -0.789  -0.449  1.00  0.00           C  
HETATM   36  C   UNL     1       0.202  -0.137  -1.097  1.00  0.00           C  
HETATM   37  C   UNL     1       8.559  -1.694   0.166  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.372  -0.614  -1.179  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.517  -0.311   1.109  1.00  0.00           C  
HETATM   40  C   UNL     1       2.462  -0.591  -0.082  1.00  0.00           C  
HETATM   41  C   UNL     1       0.182  -1.808   0.771  1.00  0.00           C  
HETATM   42  C   UNL     1      -1.669  -1.746  -0.743  1.00  0.00           C  
HETATM   43  C   UNL     1       1.563   0.417  -0.790  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.166  -0.241  -0.356  1.00  0.00           C  
HETATM   45  N   UNL     1      -0.372  -1.137  -0.408  1.00  0.00           N  
HETATM   46  H   UNL     1       1.195   5.148  -1.559  1.00  0.00           H  
HETATM   47  H   UNL     1       1.735   4.013   1.087  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.976   4.416  -0.254  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.691   3.362   1.152  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.513   5.591   1.862  1.00  0.00           H  
HETATM   51  H   UNL     1       0.147   5.308   2.441  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.138   6.362   1.035  1.00  0.00           H  
HETATM   53  H   UNL     1       3.461   4.559  -1.030  1.00  0.00           H  
HETATM   54  H   UNL     1       3.248   6.325  -1.096  1.00  0.00           H  
HETATM   55  H   UNL     1       3.300   5.493   0.477  1.00  0.00           H  
HETATM   56  H   UNL     1      12.208  -0.766  -0.615  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.448  -1.569  -3.279  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.409  -0.490   4.844  1.00  0.00           H  
HETATM   59  H   UNL     1      11.160   0.009   1.474  1.00  0.00           H  
HETATM   60  H   UNL     1      10.921  -2.141  -2.201  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.859   0.801  -2.964  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.064  -3.328  -2.253  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.376   1.684   3.689  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.876  -2.550   3.605  1.00  0.00           H  
HETATM   65  H   UNL     1       8.822  -0.582   1.973  1.00  0.00           H  
HETATM   66  H   UNL     1       8.583  -2.734  -1.702  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.891   1.413  -1.617  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.095  -2.717  -0.906  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.801   1.799   1.298  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.303  -2.435   1.213  1.00  0.00           H  
HETATM   71  H   UNL     1       4.678  -1.409   1.285  1.00  0.00           H  
HETATM   72  H   UNL     1       4.578  -2.306  -0.249  1.00  0.00           H  
HETATM   73  H   UNL     1       4.182   0.702   0.081  1.00  0.00           H  
HETATM   74  H   UNL     1       4.082  -0.196  -1.452  1.00  0.00           H  
HETATM   75  H   UNL     1       2.546   0.405   1.836  1.00  0.00           H  
HETATM   76  H   UNL     1       2.826  -1.339   1.900  1.00  0.00           H  
HETATM   77  H   UNL     1       0.674  -1.195   2.773  1.00  0.00           H  
HETATM   78  H   UNL     1       0.195   0.137   1.701  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.610  -1.851   2.026  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.684  -3.388   2.007  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.304  -3.848  -0.303  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.827  -3.200   0.393  1.00  0.00           H  
HETATM   83  H   UNL     1       6.994  -2.122   1.552  1.00  0.00           H  
HETATM   84  H   UNL     1       6.894  -3.020   0.018  1.00  0.00           H  
HETATM   85  H   UNL     1       6.387  -0.903  -1.062  1.00  0.00           H  
HETATM   86  H   UNL     1       1.492   1.600   0.969  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.267  -2.064  -0.968  1.00  0.00           H  
HETATM   88  H   UNL     1       2.255  -1.596  -0.463  1.00  0.00           H  
HETATM   89  H   UNL     1       0.946  -2.532   0.480  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.685  -2.040  -1.792  1.00  0.00           H  
HETATM   91  H   UNL     1       2.039   0.684  -1.746  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.855   0.774  -0.606  1.00  0.00           H  
CONECT    1    3    3    4   33                                       
CONECT    2    4    7   46                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   47                                       
CONECT    5    4    6   48   49                                       
CONECT    6    5   50   51   52                                       
CONECT    7    2   53   54   55                                       
CONECT    8   35   35                                                 
CONECT    9   36   36                                                 
CONECT   10   13   13   14   56                                       
CONECT   11   15   15   16   57                                       
CONECT   12   17   17   18   58                                       
CONECT   13   10   10   19   59                                       
CONECT   14   10   20   20   60                                       
CONECT   15   11   11   21   61                                       
CONECT   16   11   22   22   62                                       
CONECT   17   12   12   23   63                                       
CONECT   18   12   24   24   64                                       
CONECT   19   13   37   37   65                                       
CONECT   20   14   14   37   66                                       
CONECT   21   15   38   38   67                                       
CONECT   22   16   16   38   68                                       
CONECT   23   17   39   39   69                                       
CONECT   24   18   18   39   70                                       
CONECT   25   26   32   71   72                                       
CONECT   26   25   40   73   74                                       
CONECT   27   28   40   75   76                                       
CONECT   28   27   41   77   78                                       
CONECT   29   30   41   79   80                                       
CONECT   30   29   42   81   82                                       
CONECT   31   32   37   83   84                                       
CONECT   32   25   31   85                                            
CONECT   33    1   43   86                                            
CONECT   34   35   44   87                                            
CONECT   35    8    8   34   42                                       
CONECT   36    9    9   43   45                                       
CONECT   37   19   19   20   31                                       
CONECT   38   21   21   22   44                                       
CONECT   39   23   23   24   44                                       
CONECT   40   26   27   43   88                                       
CONECT   41   28   29   45   89                                       
CONECT   42   30   35   45   90                                       
CONECT   43   33   36   40   91                                       
CONECT   44   34   38   39   92                                       
CONECT   45   36   41   42                                            
CONECT   46    2                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   30                                                      
CONECT   83   31                                                      
CONECT   84   31                                                      
CONECT   85   32                                                      
CONECT   86   33                                                      
CONECT   87   34                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
CONECT   90   42                                                      
CONECT   91   43                                                      
CONECT   92   44                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
