COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.171  -0.988  -0.182  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.264  -1.549  -1.398  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.588  -2.528  -1.650  1.00  0.00           O  
HETATM    4  N   UNL     1      -5.082  -1.060  -2.347  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.843   0.025  -2.096  1.00  0.00           C  
HETATM    6  O   UNL     1      -6.586   0.474  -2.950  1.00  0.00           O  
HETATM    7  C   UNL     1      -5.758   0.655  -0.770  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.906   0.110   0.152  1.00  0.00           C  
HETATM    9  P   UNL     1       2.353  -2.592  -0.509  1.00  0.00           P  
HETATM   10  P   UNL     1       4.894  -1.066  -0.539  1.00  0.00           P  
HETATM   11  C   UNL     1       6.701   0.674   0.381  1.00  0.00           C  
HETATM   12  O   UNL     1       2.994  -3.779   0.100  1.00  0.00           O  
HETATM   13  O   UNL     1       5.205  -0.856  -2.105  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.265  -1.573   0.810  1.00  0.00           C  
HETATM   15  C   UNL     1       6.908   1.403   1.712  1.00  0.00           C  
HETATM   16  O   UNL     1       6.549   0.538   2.791  1.00  0.00           O  
HETATM   17  O   UNL     1       2.100  -2.864  -2.076  1.00  0.00           O  
HETATM   18  O   UNL     1       5.647  -2.238  -0.040  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.693  -3.020   1.141  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.454  -3.053   2.350  1.00  0.00           O  
HETATM   21  C   UNL     1       6.025   2.654   1.742  1.00  0.00           C  
HETATM   22  O   UNL     1       6.266   3.379   2.949  1.00  0.00           O  
HETATM   23  O   UNL     1       3.316  -1.314  -0.334  1.00  0.00           O  
HETATM   24  O   UNL     1       5.341   0.247   0.278  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.356  -3.774   1.322  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.251  -4.295   2.649  1.00  0.00           O  
HETATM   27  C   UNL     1       6.366   3.536   0.537  1.00  0.00           C  
HETATM   28  O   UNL     1       7.723   3.973   0.634  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.280  -2.693   1.079  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.934  -1.697   0.263  1.00  0.00           O  
HETATM   31  C   UNL     1       6.180   2.725  -0.748  1.00  0.00           C  
HETATM   32  O   UNL     1       7.006   1.560  -0.698  1.00  0.00           O  
HETATM   33  C   UNL     1      -0.084  -3.291   0.333  1.00  0.00           C  
HETATM   34  O   UNL     1       0.947  -2.308   0.221  1.00  0.00           O  
HETATM   35  C   UNL     1       6.576   3.580  -1.953  1.00  0.00           C  
HETATM   36  O   UNL     1       6.293   2.866  -3.158  1.00  0.00           O  
HETATM   37  O   UNL     1      -9.826   3.910   1.922  1.00  0.00           O  
HETATM   38  C   UNL     1      -7.299   4.023  -0.570  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.440   3.071  -1.035  1.00  0.00           C  
HETATM   40  S   UNL     1      -7.846   1.896   0.763  1.00  0.00           S  
HETATM   41  C   UNL     1      -9.120   4.390   1.057  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.151   3.593   0.418  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.567   1.844  -0.442  1.00  0.00           C  
HETATM   44  H   UNL     1      -5.124  -1.490  -3.216  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.818   0.546   1.136  1.00  0.00           H  
HETATM   46  H   UNL     1       7.359  -0.194   0.336  1.00  0.00           H  
HETATM   47  H   UNL     1       4.744  -0.103  -2.500  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.249  -0.964   1.713  1.00  0.00           H  
HETATM   49  H   UNL     1       7.954   1.693   1.809  1.00  0.00           H  
HETATM   50  H   UNL     1       7.066  -0.279   2.829  1.00  0.00           H  
HETATM   51  H   UNL     1       1.682  -2.126  -2.540  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.264  -3.448   0.318  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.748  -3.938   2.606  1.00  0.00           H  
HETATM   54  H   UNL     1       4.976   2.361   1.694  1.00  0.00           H  
HETATM   55  H   UNL     1       6.077   2.878   3.754  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.267  -4.575   0.588  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.940  -4.935   2.876  1.00  0.00           H  
HETATM   58  H   UNL     1       5.704   4.402   0.521  1.00  0.00           H  
HETATM   59  H   UNL     1       7.914   4.490   1.429  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.957  -2.259   2.025  1.00  0.00           H  
HETATM   61  H   UNL     1       5.136   2.426  -0.842  1.00  0.00           H  
HETATM   62  H   UNL     1       0.294  -4.152   0.883  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.398  -3.605  -0.663  1.00  0.00           H  
HETATM   64  H   UNL     1       6.009   4.511  -1.940  1.00  0.00           H  
HETATM   65  H   UNL     1       7.642   3.804  -1.905  1.00  0.00           H  
HETATM   66  H   UNL     1       6.520   3.349  -3.964  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.306   5.036  -0.945  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.716   3.270  -1.811  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.235   5.426   0.778  1.00  0.00           H  
CONECT    1    2    8   14                                            
CONECT    2    1    4    3    3                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   44                                            
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5   43    8    8                                       
CONECT    8    1    7    7   45                                       
CONECT    9   34   23   17   12                                       
CONECT    9   12                                                      
CONECT   10   13   23   18   18                                       
CONECT   10   24                                                      
CONECT   11   24   32   15   46                                       
CONECT   12    9    9                                                 
CONECT   13   10   47                                                 
CONECT   14    1   30   19   48                                       
CONECT   15   11   21   16   49                                       
CONECT   16   15   50                                                 
CONECT   17    9   51                                                 
CONECT   18   10   10                                                 
CONECT   19   14   25   20   52                                       
CONECT   20   19   53                                                 
CONECT   21   15   27   22   54                                       
CONECT   22   21   55                                                 
CONECT   23    9   10                                                 
CONECT   24   11   10                                                 
CONECT   25   19   29   26   56                                       
CONECT   26   25   57                                                 
CONECT   27   21   31   28   58                                       
CONECT   28   27   59                                                 
CONECT   29   25   33   30   60                                       
CONECT   30   14   29                                                 
CONECT   31   27   35   32   61                                       
CONECT   32   11   31                                                 
CONECT   33   29   34   62   63                                       
CONECT   34    9   33                                                 
CONECT   35   31   36   64   65                                       
CONECT   36   35   66                                                 
CONECT   37   41   41                                                 
CONECT   38   42   42   39   67                                       
CONECT   39   38   43   43   68                                       
CONECT   40   42   43                                                 
CONECT   41   37   37   42   69                                       
CONECT   42   38   38   40   41                                       
CONECT   43    7   39   39   40                                       
CONECT   44    4                                                      
CONECT   45    8                                                      
CONECT   46   11                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   31                                                      
CONECT   62   33                                                      
CONECT   63   33                                                      
CONECT   64   35                                                      
CONECT   65   35                                                      
CONECT   66   36                                                      
CONECT   67   38                                                      
CONECT   68   39                                                      
CONECT   69   41                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
