COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.576   0.874   0.860  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.914   2.077   1.102  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.531   2.083   1.090  1.00  0.00           C  
HETATM    4  N   UNL     1       0.119   0.955   0.850  1.00  0.00           N  
HETATM    5  N   UNL     1      -1.860  -0.221   0.632  1.00  0.00           N  
HETATM    6  C   UNL     1       9.565   0.047  -1.055  1.00  0.00           C  
HETATM    7  C   UNL     1      10.046   1.372  -1.673  1.00  0.00           C  
HETATM    8  C   UNL     1       8.860   2.350  -1.505  1.00  0.00           C  
HETATM    9  C   UNL     1       8.054   1.720  -0.341  1.00  0.00           C  
HETATM   10  N   UNL     1       8.176   0.262  -0.594  1.00  0.00           N  
HETATM   11  C   UNL     1       7.901  -0.509   0.626  1.00  0.00           C  
HETATM   12  C   UNL     1       6.402  -0.463   0.932  1.00  0.00           C  
HETATM   13  O   UNL     1       5.684  -1.131  -0.108  1.00  0.00           O  
HETATM   14  C   UNL     1       4.330  -1.181   0.012  1.00  0.00           C  
HETATM   15  C   UNL     1       3.549  -0.171  -0.530  1.00  0.00           C  
HETATM   16  C   UNL     1       4.201   0.981  -1.251  1.00  0.00           C  
HETATM   17  C   UNL     1       2.174  -0.220  -0.410  1.00  0.00           C  
HETATM   18  C   UNL     1       3.731  -2.244   0.670  1.00  0.00           C  
HETATM   19  C   UNL     1       4.580  -3.344   1.253  1.00  0.00           C  
HETATM   20  C   UNL     1       2.356  -2.296   0.791  1.00  0.00           C  
HETATM   21  C   UNL     1       1.574  -1.282   0.254  1.00  0.00           C  
HETATM   22  N   UNL     1       0.180  -1.333   0.377  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.536  -0.173   0.624  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.969   0.820   0.864  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.725  -0.297   0.641  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.808   1.875   1.096  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.077   1.429   1.015  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.324   2.253   1.203  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.024   0.050   0.726  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.206  -0.869   0.548  1.00  0.00           C  
HETATM   31  N   UNL     1      -7.752  -0.707  -0.806  1.00  0.00           N  
HETATM   32  C   UNL     1      -8.752  -1.751  -1.100  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.854   0.273  -0.818  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.605  -0.666  -1.772  1.00  0.00           C  
HETATM   35  O   UNL     1      -9.305  -0.458  -3.154  1.00  0.00           O  
HETATM   36  H   UNL     1      -2.469   2.983   1.294  1.00  0.00           H  
HETATM   37  H   UNL     1       0.012   2.999   1.273  1.00  0.00           H  
HETATM   38  H   UNL     1       9.589  -0.744  -1.805  1.00  0.00           H  
HETATM   39  H   UNL     1      10.201  -0.222  -0.212  1.00  0.00           H  
HETATM   40  H   UNL     1      10.921   1.743  -1.140  1.00  0.00           H  
HETATM   41  H   UNL     1      10.276   1.235  -2.730  1.00  0.00           H  
HETATM   42  H   UNL     1       9.216   3.344  -1.234  1.00  0.00           H  
HETATM   43  H   UNL     1       8.261   2.391  -2.414  1.00  0.00           H  
HETATM   44  H   UNL     1       8.497   1.982   0.620  1.00  0.00           H  
HETATM   45  H   UNL     1       7.011   2.034  -0.381  1.00  0.00           H  
HETATM   46  H   UNL     1       8.210  -1.544   0.480  1.00  0.00           H  
HETATM   47  H   UNL     1       8.455  -0.079   1.460  1.00  0.00           H  
HETATM   48  H   UNL     1       6.210  -0.959   1.883  1.00  0.00           H  
HETATM   49  H   UNL     1       6.075   0.575   0.990  1.00  0.00           H  
HETATM   50  H   UNL     1       4.299   0.739  -2.309  1.00  0.00           H  
HETATM   51  H   UNL     1       3.587   1.875  -1.139  1.00  0.00           H  
HETATM   52  H   UNL     1       5.188   1.163  -0.827  1.00  0.00           H  
HETATM   53  H   UNL     1       1.566   0.566  -0.831  1.00  0.00           H  
HETATM   54  H   UNL     1       4.844  -3.093   2.281  1.00  0.00           H  
HETATM   55  H   UNL     1       4.022  -4.280   1.240  1.00  0.00           H  
HETATM   56  H   UNL     1       5.489  -3.454   0.662  1.00  0.00           H  
HETATM   57  H   UNL     1       1.890  -3.124   1.304  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.284  -2.180   0.290  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.346  -1.287   0.432  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.505   2.889   1.309  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.635   2.665   0.243  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.119   1.624   1.603  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.121   3.067   1.899  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.888  -1.902   0.691  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.973  -0.621   1.282  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.394  -2.513  -1.793  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.212  -2.175  -0.208  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.342   0.389   0.150  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.582   1.226  -1.271  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.673  -0.748  -1.569  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.779  -1.051  -3.753  1.00  0.00           H  
CONECT    1    5    5    2   24                                       
CONECT    2    3    3    1   36                                       
CONECT    3    4    2    2   37                                       
CONECT    4   23   23    3                                            
CONECT    5   23    1    1                                            
CONECT    6   10    7   38   39                                       
CONECT    7    6    8   40   41                                       
CONECT    8    7    9   42   43                                       
CONECT    9   10    8   44   45                                       
CONECT   10   11    6    9                                            
CONECT   11   12   10   46   47                                       
CONECT   12   11   13   48   49                                       
CONECT   13   12   14                                                 
CONECT   14   18   13   15   15                                       
CONECT   15   14   14   17   16                                       
CONECT   16   15   50   51   52                                       
CONECT   17   21   21   15   53                                       
CONECT   18   19   20   20   14                                       
CONECT   19   18   54   55   56                                       
CONECT   20   18   18   21   57                                       
CONECT   21   20   22   17   17                                       
CONECT   22   21   23   58                                            
CONECT   23   22    4    4    5                                       
CONECT   24    1   25   26                                            
CONECT   25   24   29   29   59                                       
CONECT   26   24   27   27   60                                       
CONECT   27   26   26   29   28                                       
CONECT   28   27   61   62   63                                       
CONECT   29   25   25   27   30                                       
CONECT   30   29   31   64   65                                       
CONECT   31   30   33   32                                            
CONECT   32   34   31   66   67                                       
CONECT   33   34   31   68   69                                       
CONECT   34   33   32   35   70                                       
CONECT   35   34   71                                                 
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   22                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
CONECT   63   28                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
