COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.414  -0.252  -6.066  1.00  0.00           N  
HETATM    2  C   UNL     1       0.400  -1.067  -8.255  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.233   0.488  -4.815  1.00  0.00           C  
HETATM    4  C   UNL     1       1.676  -0.970  -9.094  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.677   1.939  -5.012  1.00  0.00           C  
HETATM    6  C   UNL     1       1.487  -1.743 -10.400  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.178   1.977  -5.305  1.00  0.00           C  
HETATM    8  C   UNL     1       1.969   0.498  -9.408  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.384   2.739  -3.741  1.00  0.00           C  
HETATM   10  C   UNL     1       0.586  -0.305  -6.968  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.064  -0.148  -3.730  1.00  0.00           C  
HETATM   12  O   UNL     1       1.635   0.259  -6.743  1.00  0.00           O  
HETATM   13  O   UNL     1      -2.072  -0.757  -4.018  1.00  0.00           O  
HETATM   14  N   UNL     1      -0.686  -0.040  -2.441  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.478  -0.682  -1.389  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.048  -2.143  -1.248  1.00  0.00           C  
HETATM   17  C   UNL     1       0.412  -2.204  -0.884  1.00  0.00           C  
HETATM   18  O   UNL     1       1.039  -1.179  -0.719  1.00  0.00           O  
HETATM   19  N   UNL     1       1.022  -3.398  -0.742  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.255   0.035  -0.083  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.508   0.989  -0.036  1.00  0.00           O  
HETATM   22  N   UNL     1      -1.886  -0.382   1.031  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.669   0.315   2.301  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.928   0.206   3.164  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.100   0.875   2.443  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.375   0.696   3.269  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.808   2.367   2.271  1.00  0.00           C  
HETATM   28  P   UNL     1      -0.263  -0.443   3.179  1.00  0.00           P  
HETATM   29  O   UNL     1       0.968  -0.272   2.377  1.00  0.00           O  
HETATM   30  O   UNL     1      -0.549  -2.012   3.396  1.00  0.00           O  
HETATM   31  O   UNL     1      -0.075   0.270   4.610  1.00  0.00           O  
HETATM   32  C   UNL     1       1.055  -0.342   5.232  1.00  0.00           C  
HETATM   33  C   UNL     1       2.074   0.733   5.611  1.00  0.00           C  
HETATM   34  C   UNL     1       1.052  -2.543   8.344  1.00  0.00           C  
HETATM   35  C   UNL     1       2.518   1.464   4.370  1.00  0.00           C  
HETATM   36  C   UNL     1       1.834   2.588   3.948  1.00  0.00           C  
HETATM   37  C   UNL     1       3.614   1.012   3.657  1.00  0.00           C  
HETATM   38  C   UNL     1       2.242   3.258   2.809  1.00  0.00           C  
HETATM   39  C   UNL     1       3.334   2.804   2.094  1.00  0.00           C  
HETATM   40  C   UNL     1       4.019   1.680   2.517  1.00  0.00           C  
HETATM   41  C   UNL     1       0.610  -1.072   6.473  1.00  0.00           C  
HETATM   42  O   UNL     1       1.481  -1.839   7.149  1.00  0.00           O  
HETATM   43  O   UNL     1      -0.529  -0.968   6.860  1.00  0.00           O  
HETATM   44  H   UNL     1      -1.253  -0.703  -6.245  1.00  0.00           H  
HETATM   45  H   UNL     1       0.191  -2.113  -8.031  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.434  -0.641  -8.812  1.00  0.00           H  
HETATM   47  H   UNL     1       0.817   0.465  -4.528  1.00  0.00           H  
HETATM   48  H   UNL     1       2.510  -1.396  -8.536  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.132   2.374  -5.849  1.00  0.00           H  
HETATM   50  H   UNL     1       2.396  -1.674 -10.998  1.00  0.00           H  
HETATM   51  H   UNL     1       1.278  -2.789 -10.177  1.00  0.00           H  
HETATM   52  H   UNL     1       0.653  -1.317 -10.957  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.494   3.011  -5.445  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.387   1.407  -6.210  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.723   1.541  -4.467  1.00  0.00           H  
HETATM   56  H   UNL     1       1.135   0.924  -9.965  1.00  0.00           H  
HETATM   57  H   UNL     1       2.104   1.049  -8.477  1.00  0.00           H  
HETATM   58  H   UNL     1       2.878   0.567 -10.005  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.972   2.337  -2.916  1.00  0.00           H  
HETATM   60  H   UNL     1       0.676   2.665  -3.502  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.649   3.784  -3.901  1.00  0.00           H  
HETATM   62  H   UNL     1       0.109   0.463  -2.210  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.535  -0.638  -1.652  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.638  -2.621  -0.465  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.210  -2.663  -2.192  1.00  0.00           H  
HETATM   66  H   UNL     1       1.963  -3.437  -0.508  1.00  0.00           H  
HETATM   67  H   UNL     1       0.521  -4.217  -0.874  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.483  -1.146   0.993  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.452   1.365   2.106  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.160  -0.844   3.337  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.757   0.703   4.119  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.234   0.416   1.464  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.210   1.173   2.755  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.583  -0.366   3.392  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.241   1.156   4.248  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.568   2.804   3.240  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.963   2.496   1.595  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.685   2.863   1.856  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.358  -2.079   3.921  1.00  0.00           H  
HETATM   80  H   UNL     1       1.512  -1.048   4.539  1.00  0.00           H  
HETATM   81  H   UNL     1       1.616   1.439   6.304  1.00  0.00           H  
HETATM   82  H   UNL     1       2.936   0.265   6.086  1.00  0.00           H  
HETATM   83  H   UNL     1       1.890  -3.109   8.752  1.00  0.00           H  
HETATM   84  H   UNL     1       0.706  -1.822   9.085  1.00  0.00           H  
HETATM   85  H   UNL     1       0.240  -3.225   8.093  1.00  0.00           H  
HETATM   86  H   UNL     1       0.981   2.943   4.507  1.00  0.00           H  
HETATM   87  H   UNL     1       4.148   0.134   3.988  1.00  0.00           H  
HETATM   88  H   UNL     1       1.707   4.136   2.479  1.00  0.00           H  
HETATM   89  H   UNL     1       3.652   3.327   1.204  1.00  0.00           H  
HETATM   90  H   UNL     1       4.871   1.325   1.957  1.00  0.00           H  
CONECT    1    3   10   44                                            
CONECT    2    4   10   45   46                                       
CONECT    3    1    5   11   47                                       
CONECT    4    2    6    8   48                                       
CONECT    5    3    7    9   49                                       
CONECT    6    4   50   51   52                                       
CONECT    7    5   53   54   55                                       
CONECT    8    4   56   57   58                                       
CONECT    9    5   59   60   61                                       
CONECT   10    1    2   12   12                                       
CONECT   11    3   13   13   14                                       
CONECT   12   10   10                                                 
CONECT   13   11   11                                                 
CONECT   14   11   15   62                                            
CONECT   15   14   16   20   63                                       
CONECT   16   15   17   64   65                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   66   67                                            
CONECT   20   15   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   68                                            
CONECT   23   22   24   28   69                                       
CONECT   24   23   25   70   71                                       
CONECT   25   24   26   27   72                                       
CONECT   26   25   73   74   75                                       
CONECT   27   25   76   77   78                                       
CONECT   28   23   29   29   30                                       
CONECT   28   31                                                      
CONECT   29   28   28                                                 
CONECT   30   28   79                                                 
CONECT   31   28   32                                                 
CONECT   32   31   33   41   80                                       
CONECT   33   32   35   81   82                                       
CONECT   34   42   83   84   85                                       
CONECT   35   33   36   36   37                                       
CONECT   36   35   35   38   86                                       
CONECT   37   35   40   40   87                                       
CONECT   38   36   39   39   88                                       
CONECT   39   38   38   40   89                                       
CONECT   40   37   37   39   90                                       
CONECT   41   32   42   43   43                                       
CONECT   42   34   41                                                 
CONECT   43   41   41                                                 
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61    9                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   27                                                      
CONECT   78   27                                                      
CONECT   79   30                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   33                                                      
CONECT   83   34                                                      
CONECT   84   34                                                      
CONECT   85   34                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   38                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
