COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   0      11.048   0.852   1.145  1.00  0.00           N  
HETATM    2  C   UNK A   0      11.505  -0.191   0.486  1.00  0.00           C  
HETATM    3  N   UNK A   0      12.461  -0.985   1.068  1.00  0.00           N  
HETATM    4  N   UNK A   0      11.052  -0.503  -0.759  1.00  0.00           N  
HETATM    5  C   UNK A   0      10.112   0.266  -1.352  1.00  0.00           C  
HETATM    6  O   UNK A   0       9.699  -0.004  -2.469  1.00  0.00           O  
HETATM    7  C   UNK A   0       9.623   1.377  -0.657  1.00  0.00           C  
HETATM    8  N   UNK A   0       8.645   2.217  -1.233  1.00  0.00           N  
HETATM    9  C   UNK A   0       7.912   3.144  -0.356  1.00  0.00           C  
HETATM   10  C   UNK A   0       8.925   3.805   0.591  1.00  0.00           C  
HETATM   11  N   UNK A   0       9.640   2.745   1.316  1.00  0.00           N  
HETATM   12  C   UNK A   0      10.116   1.650   0.612  1.00  0.00           C  
HETATM   13  C   UNK A   0       6.871   2.373   0.458  1.00  0.00           C  
HETATM   14  N   UNK A   0       6.000   1.621  -0.450  1.00  0.00           N  
HETATM   15  C   UNK A   0       2.921  -0.721   1.084  1.00  0.00           C  
HETATM   16  C   UNK A   0       3.126  -0.650  -0.298  1.00  0.00           C  
HETATM   17  C   UNK A   0       4.145   0.126  -0.802  1.00  0.00           C  
HETATM   18  C   UNK A   0       4.971   0.839   0.062  1.00  0.00           C  
HETATM   19  C   UNK A   0       4.770   0.770   1.438  1.00  0.00           C  
HETATM   20  C   UNK A   0       3.753  -0.003   1.948  1.00  0.00           C  
HETATM   21  C   UNK A   0       1.826  -1.546   1.627  1.00  0.00           C  
HETATM   22  O   UNK A   0       1.645  -1.603   2.828  1.00  0.00           O  
HETATM   23  N   UNK A   1       1.025  -2.238   0.792  1.00  0.00           N  
HETATM   24  C   UNK A   1      -0.063  -3.057   1.331  1.00  0.00           C  
HETATM   25  C   UNK A   1       0.471  -4.415   1.710  1.00  0.00           C  
HETATM   26  O   UNK A   1       1.641  -4.671   1.546  1.00  0.00           O  
HETATM   27  C   UNK A   1      -1.155  -3.217   0.272  1.00  0.00           C  
HETATM   28  C   UNK A   1      -1.784  -1.853  -0.022  1.00  0.00           C  
HETATM   29  C   UNK A   1      -2.859  -2.010  -1.066  1.00  0.00           C  
HETATM   30  O   UNK A   1      -3.100  -3.105  -1.529  1.00  0.00           O  
HETATM   31  O   UNK A   1      -0.352  -5.339   2.229  1.00  0.00           O  
HETATM   32  N   UNK A   1      -3.554  -0.934  -1.484  1.00  0.00           N  
HETATM   33  C   UNK A   1      -4.600  -1.086  -2.498  1.00  0.00           C  
HETATM   34  C   UNK A   1      -3.980  -1.039  -3.871  1.00  0.00           C  
HETATM   35  O   UNK A   1      -2.786  -0.893  -3.989  1.00  0.00           O  
HETATM   36  C   UNK A   1      -5.616   0.050  -2.358  1.00  0.00           C  
HETATM   37  C   UNK A   1      -6.335  -0.072  -1.014  1.00  0.00           C  
HETATM   38  C   UNK A   1      -7.336   1.046  -0.876  1.00  0.00           C  
HETATM   39  O   UNK A   1      -7.461   1.861  -1.766  1.00  0.00           O  
HETATM   40  O   UNK A   1      -4.753  -1.159  -4.962  1.00  0.00           O  
HETATM   41  N   UNK A   1      -8.091   1.141   0.236  1.00  0.00           N  
HETATM   42  C   UNK A   1      -9.064   2.229   0.370  1.00  0.00           C  
HETATM   43  C   UNK A   1      -8.374   3.456   0.908  1.00  0.00           C  
HETATM   44  O   UNK A   1      -7.192   3.425   1.154  1.00  0.00           O  
HETATM   45  C   UNK A   1     -10.174   1.804   1.333  1.00  0.00           C  
HETATM   46  C   UNK A   1     -10.955   0.636   0.729  1.00  0.00           C  
HETATM   47  C   UNK A   1     -12.048   0.217   1.677  1.00  0.00           C  
HETATM   48  O   UNK A   1     -12.189   0.795   2.729  1.00  0.00           O  
HETATM   49  O   UNK A   1     -12.866  -0.797   1.354  1.00  0.00           O  
HETATM   50  O   UNK A   1      -9.074   4.583   1.114  1.00  0.00           O  
HETATM   51  H   UNK A   0      12.792  -0.773   1.955  1.00  0.00           H  
HETATM   52  H   UNK A   0      12.806  -1.757   0.593  1.00  0.00           H  
HETATM   53  H   UNK A   0       8.460   2.183  -2.184  1.00  0.00           H  
HETATM   54  H   UNK A   0       7.418   3.907  -0.957  1.00  0.00           H  
HETATM   55  H   UNK A   0       9.634   4.398   0.013  1.00  0.00           H  
HETATM   56  H   UNK A   0       8.401   4.446   1.300  1.00  0.00           H  
HETATM   57  H   UNK A   0       9.777   2.811   2.274  1.00  0.00           H  
HETATM   58  H   UNK A   0       7.376   1.681   1.132  1.00  0.00           H  
HETATM   59  H   UNK A   0       6.272   3.073   1.039  1.00  0.00           H  
HETATM   60  H   UNK A   0       6.142   1.670  -1.408  1.00  0.00           H  
HETATM   61  H   UNK A   0       2.485  -1.203  -0.968  1.00  0.00           H  
HETATM   62  H   UNK A   0       4.304   0.181  -1.868  1.00  0.00           H  
HETATM   63  H   UNK A   0       5.413   1.325   2.106  1.00  0.00           H  
HETATM   64  H   UNK A   0       3.597  -0.056   3.016  1.00  0.00           H  
HETATM   65  H   UNK A   0      11.404  -1.280  -1.222  1.00  0.00           H  
HETATM   66  H   UNK A   1       1.169  -2.192  -0.167  1.00  0.00           H  
HETATM   67  H   UNK A   1      -0.480  -2.572   2.213  1.00  0.00           H  
HETATM   68  H   UNK A   1      -0.719  -3.620  -0.642  1.00  0.00           H  
HETATM   69  H   UNK A   1      -1.922  -3.898   0.640  1.00  0.00           H  
HETATM   70  H   UNK A   1      -2.220  -1.450   0.892  1.00  0.00           H  
HETATM   71  H   UNK A   1      -1.017  -1.171  -0.390  1.00  0.00           H  
HETATM   72  H   UNK A   1       0.037  -6.195   2.456  1.00  0.00           H  
HETATM   73  H   UNK A   1      -3.362  -0.058  -1.113  1.00  0.00           H  
HETATM   74  H   UNK A   1      -5.104  -2.043  -2.360  1.00  0.00           H  
HETATM   75  H   UNK A   1      -5.099   1.008  -2.408  1.00  0.00           H  
HETATM   76  H   UNK A   1      -6.344  -0.013  -3.167  1.00  0.00           H  
HETATM   77  H   UNK A   1      -6.853  -1.031  -0.964  1.00  0.00           H  
HETATM   78  H   UNK A   1      -5.607  -0.010  -0.205  1.00  0.00           H  
HETATM   79  H   UNK A   1      -4.310  -1.122  -5.820  1.00  0.00           H  
HETATM   80  H   UNK A   1      -7.991   0.490   0.948  1.00  0.00           H  
HETATM   81  H   UNK A   1      -9.495   2.453  -0.606  1.00  0.00           H  
HETATM   82  H   UNK A   1      -9.734   1.495   2.282  1.00  0.00           H  
HETATM   83  H   UNK A   1     -10.849   2.643   1.502  1.00  0.00           H  
HETATM   84  H   UNK A   1     -11.395   0.944  -0.220  1.00  0.00           H  
HETATM   85  H   UNK A   1     -10.280  -0.204   0.560  1.00  0.00           H  
HETATM   86  H   UNK A   1     -13.553  -1.029   1.994  1.00  0.00           H  
HETATM   87  H   UNK A   1      -8.588   5.344   1.460  1.00  0.00           H  
CONECT    1   12    2    2                                            
CONECT    2    4    1    1    3                                       
CONECT    3    2   51   52                                            
CONECT    4    5    2   65                                            
CONECT    5    6    6    7    4                                       
CONECT    6    5    5                                                 
CONECT    7    8    5   12   12                                       
CONECT    8    9    7   53                                            
CONECT    9   13    8   10   54                                       
CONECT   10    9   11   55   56                                       
CONECT   11   10   12   57                                            
CONECT   12    7    7   11    1                                       
CONECT   13   14    9   58   59                                       
CONECT   14   13   18   60                                            
CONECT   15   21   16   16   20                                       
CONECT   16   15   15   17   61                                       
CONECT   17   16   18   18   62                                       
CONECT   18   17   17   19   14                                       
CONECT   19   20   20   18   63                                       
CONECT   20   15   19   19   64                                       
CONECT   21   22   22   23   15                                       
CONECT   22   21   21                                                 
CONECT   23   24   21   66                                            
CONECT   24   25   23   27   67                                       
CONECT   25   26   26   31   24                                       
CONECT   26   25   25                                                 
CONECT   27   24   28   68   69                                       
CONECT   28   27   29   70   71                                       
CONECT   29   28   32   30   30                                       
CONECT   30   29   29                                                 
CONECT   31   25   72                                                 
CONECT   32   29   33   73                                            
CONECT   33   36   32   34   74                                       
CONECT   34   35   35   33   40                                       
CONECT   35   34   34                                                 
CONECT   36   37   33   75   76                                       
CONECT   37   38   36   77   78                                       
CONECT   38   39   39   41   37                                       
CONECT   39   38   38                                                 
CONECT   40   34   79                                                 
CONECT   41   42   38   80                                            
CONECT   42   45   41   43   81                                       
CONECT   43   42   44   44   50                                       
CONECT   44   43   43                                                 
CONECT   45   46   42   82   83                                       
CONECT   46   47   45   84   85                                       
CONECT   47   48   48   49   46                                       
CONECT   48   47   47                                                 
CONECT   49   47   86                                                 
CONECT   50   43   87                                                 
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65    4                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   40                                                      
CONECT   80   41                                                      
CONECT   81   42                                                      
CONECT   82   45                                                      
CONECT   83   45                                                      
CONECT   84   46                                                      
CONECT   85   46                                                      
CONECT   86   49                                                      
CONECT   87   50                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
