COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.991   0.117   0.761  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.704   0.586   0.856  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.760   1.535   0.116  1.00  0.00           C  
HETATM    4  O   UNL     1       0.849   2.030  -1.044  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.807  -0.747   0.098  1.00  0.00           C  
HETATM    6  O   UNL     1       0.557  -1.506   0.752  1.00  0.00           O  
HETATM    7  C   UNL     1       1.921  -1.904   0.601  1.00  0.00           C  
HETATM    8  C   UNL     1       2.827  -0.858   1.255  1.00  0.00           C  
HETATM    9  C   UNL     1       2.750   0.463   0.473  1.00  0.00           C  
HETATM   10  C   UNL     1       4.206   0.969   0.410  1.00  0.00           C  
HETATM   11  C   UNL     1       5.049  -0.187   0.973  1.00  0.00           C  
HETATM   12  C   UNL     1       7.303   0.022  -0.136  1.00  0.00           C  
HETATM   13  C   UNL     1       9.295  -0.224  -1.537  1.00  0.00           C  
HETATM   14  C   UNL     1       7.944  -0.654  -1.171  1.00  0.00           C  
HETATM   15  C   UNL     1       5.994  -1.558  -0.923  1.00  0.00           C  
HETATM   16  O   UNL     1     -10.111   1.161  -2.114  1.00  0.00           O  
HETATM   17  C   UNL     1      -9.458   0.543  -1.289  1.00  0.00           C  
HETATM   18  N   UNL     1     -10.017  -0.444  -0.563  1.00  0.00           N  
HETATM   19  C   UNL     1      -9.328  -1.111   0.322  1.00  0.00           C  
HETATM   20  N   UNL     1      -8.029  -0.869   0.571  1.00  0.00           N  
HETATM   21  C   UNL     1      -7.358   0.111  -0.107  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.043   0.851  -1.067  1.00  0.00           C  
HETATM   23  N   UNL     1      -7.169   1.739  -1.592  1.00  0.00           N  
HETATM   24  C   UNL     1      -6.008   1.584  -1.023  1.00  0.00           C  
HETATM   25  N   UNL     1      -6.085   0.591  -0.091  1.00  0.00           N  
HETATM   26  O   UNL     1      -4.016   1.151   0.915  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.665   1.878   0.969  1.00  0.00           O  
HETATM   28  P   UNL     1       0.791   2.281   0.414  1.00  0.00           P  
HETATM   29  O   UNL     1       1.058   3.843   0.699  1.00  0.00           O  
HETATM   30  O   UNL     1      -2.059  -1.762   0.771  1.00  0.00           O  
HETATM   31  P   UNL     1      -0.683  -2.366   0.192  1.00  0.00           P  
HETATM   32  O   UNL     1       1.919   1.403   1.153  1.00  0.00           O  
HETATM   33  O   UNL     1       4.361   2.137   1.218  1.00  0.00           O  
HETATM   34  N   UNL     1       6.082  -0.561   0.004  1.00  0.00           N  
HETATM   35  N   UNL     1       7.962   1.044   0.490  1.00  0.00           N  
HETATM   36  C   UNL     1       9.203   1.396   0.110  1.00  0.00           C  
HETATM   37  N   UNL     1       9.845   0.801  -0.857  1.00  0.00           N  
HETATM   38  O   UNL     1       9.906  -0.779  -2.436  1.00  0.00           O  
HETATM   39  N   UNL     1       7.096  -1.610  -1.615  1.00  0.00           N  
HETATM   40  O   UNL     1       4.188  -1.301   1.214  1.00  0.00           O  
HETATM   41  O   UNL     1      -0.530  -3.898   0.663  1.00  0.00           O  
HETATM   42  O   UNL     1      -0.700  -2.303  -1.286  1.00  0.00           O  
HETATM   43  C   UNL     1      -4.309  -1.092   0.105  1.00  0.00           C  
HETATM   44  O   UNL     1      -4.544  -2.273   0.873  1.00  0.00           O  
HETATM   45  H   UNL     1      -5.384  -0.167   1.737  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.333   0.404   1.865  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.383   1.044  -0.781  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.300   2.439  -0.164  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.451  -0.631  -0.924  1.00  0.00           H  
HETATM   50  H   UNL     1       2.074  -2.870   1.083  1.00  0.00           H  
HETATM   51  H   UNL     1       2.163  -1.984  -0.458  1.00  0.00           H  
HETATM   52  H   UNL     1       2.522  -0.693   2.288  1.00  0.00           H  
HETATM   53  H   UNL     1       2.374   0.283  -0.534  1.00  0.00           H  
HETATM   54  H   UNL     1       4.490   1.180  -0.621  1.00  0.00           H  
HETATM   55  H   UNL     1       5.519   0.123   1.906  1.00  0.00           H  
HETATM   56  H   UNL     1       5.141  -2.207  -1.061  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.823  -1.893   0.878  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.563  -1.394   1.240  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.122   2.160  -1.247  1.00  0.00           H  
HETATM   60  H   UNL     1       0.417   4.434   0.281  1.00  0.00           H  
HETATM   61  H   UNL     1       5.258   2.500   1.216  1.00  0.00           H  
HETATM   62  H   UNL     1       7.530   1.520   1.216  1.00  0.00           H  
HETATM   63  H   UNL     1       9.691   2.209   0.628  1.00  0.00           H  
HETATM   64  H   UNL     1       0.279  -4.326   0.350  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.672  -1.224  -0.914  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.477  -2.513   0.950  1.00  0.00           H  
CONECT    1   25   43   26   45                                       
CONECT    2   26    5    3   46                                       
CONECT    3   27    2   47   48                                       
CONECT    4   28   28                                                 
CONECT    5   43    2   30   49                                       
CONECT    6   31    7                                                 
CONECT    7    6    8   50   51                                       
CONECT    8   40    9    7   52                                       
CONECT    9   10    8   32   53                                       
CONECT   10   11   33    9   54                                       
CONECT   11   34   10   40   55                                       
CONECT   12   14   14   35   34                                       
CONECT   13   38   38   37   14                                       
CONECT   14   13   39   12   12                                       
CONECT   15   39   39   34   56                                       
CONECT   16   17   17                                                 
CONECT   17   16   16   18   22                                       
CONECT   18   17   19   19                                            
CONECT   19   18   18   20   57                                       
CONECT   20   19   21   58                                            
CONECT   21   22   22   20   25                                       
CONECT   22   17   23   21   21                                       
CONECT   23   22   24   24                                            
CONECT   24   23   23   25   59                                       
CONECT   25   21   24    1                                            
CONECT   26    1    2                                                 
CONECT   27   28    3                                                 
CONECT   28    4    4   27   32                                       
CONECT   28   29                                                      
CONECT   29   28   60                                                 
CONECT   30    5   31                                                 
CONECT   31   42   42    6   30                                       
CONECT   31   41                                                      
CONECT   32    9   28                                                 
CONECT   33   10   61                                                 
CONECT   34   12   15   11                                            
CONECT   35   36   12   62                                            
CONECT   36   37   37   35   63                                       
CONECT   37   13   36   36                                            
CONECT   38   13   13                                                 
CONECT   39   14   15   15                                            
CONECT   40   11    8                                                 
CONECT   41   31   64                                                 
CONECT   42   31   31                                                 
CONECT   43    1   44    5   65                                       
CONECT   44   43   66                                                 
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    5                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   15                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   24                                                      
CONECT   60   29                                                      
CONECT   61   33                                                      
CONECT   62   35                                                      
CONECT   63   36                                                      
CONECT   64   41                                                      
CONECT   65   43                                                      
CONECT   66   44                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
