COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.027   3.791   1.459  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.371   3.175   0.349  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.736   1.858   0.799  1.00  0.00           C  
HETATM    4  O   UNL     1      -4.762   0.916   1.154  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.927   1.244  -0.360  1.00  0.00           C  
HETATM    6  O   UNL     1      -1.553   1.106   0.007  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.571  -0.147  -0.577  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.573  -1.140  -0.820  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.279  -0.393   0.785  1.00  0.00           C  
HETATM   10  N   UNL     1      -5.395  -1.329   0.628  1.00  0.00           N  
HETATM   11  C   UNL     1      -6.418  -1.020  -0.190  1.00  0.00           C  
HETATM   12  N   UNL     1      -7.445  -1.852  -0.350  1.00  0.00           N  
HETATM   13  C   UNL     1      -7.485  -3.012   0.294  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.428  -3.365   1.157  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.389  -2.511   1.306  1.00  0.00           C  
HETATM   16  O   UNL     1      -6.405   0.040  -0.793  1.00  0.00           O  
HETATM   17  N   UNL     1      -8.551  -3.863   0.120  1.00  0.00           N  
HETATM   18  P   UNL     1      -0.353   1.802  -0.810  1.00  0.00           P  
HETATM   19  O   UNL     1      -0.600   3.258  -0.906  1.00  0.00           O  
HETATM   20  S   UNL     1      -0.252   0.974  -2.759  1.00  0.00           S  
HETATM   21  O   UNL     1       1.039   1.543  -0.044  1.00  0.00           O  
HETATM   22  C   UNL     1       2.277   2.121  -0.463  1.00  0.00           C  
HETATM   23  C   UNL     1       3.395   1.672   0.481  1.00  0.00           C  
HETATM   24  O   UNL     1       3.671   0.266   0.300  1.00  0.00           O  
HETATM   25  C   UNL     1       4.719   2.383   0.123  1.00  0.00           C  
HETATM   26  O   UNL     1       4.935   3.502   0.985  1.00  0.00           O  
HETATM   27  C   UNL     1       5.800   1.304   0.356  1.00  0.00           C  
HETATM   28  O   UNL     1       6.716   1.724   1.369  1.00  0.00           O  
HETATM   29  C   UNL     1       5.001   0.068   0.827  1.00  0.00           C  
HETATM   30  N   UNL     1       5.589  -1.158   0.281  1.00  0.00           N  
HETATM   31  C   UNL     1       6.077  -2.092   1.117  1.00  0.00           C  
HETATM   32  N   UNL     1       6.623  -3.227   0.643  1.00  0.00           N  
HETATM   33  C   UNL     1       6.688  -3.447  -0.686  1.00  0.00           C  
HETATM   34  C   UNL     1       6.177  -2.472  -1.577  1.00  0.00           C  
HETATM   35  C   UNL     1       5.630  -1.344  -1.074  1.00  0.00           C  
HETATM   36  O   UNL     1       6.026  -1.907   2.318  1.00  0.00           O  
HETATM   37  O   UNL     1       7.181  -4.473  -1.116  1.00  0.00           O  
HETATM   38  H   UNL     1      -5.453   4.633   1.246  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.098   2.977  -0.439  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.596   3.841  -0.031  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.083   2.035   1.654  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.023   1.853  -1.258  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.294  -0.118  -1.392  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.927  -2.028  -0.962  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.568  -0.762   1.523  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.446  -4.305   1.689  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.567  -2.760   1.962  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.277  -3.617  -0.475  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.578  -4.710   0.592  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.027  -0.331  -2.522  1.00  0.00           H  
HETATM   51  H   UNL     1       2.506   1.795  -1.478  1.00  0.00           H  
HETATM   52  H   UNL     1       2.197   3.208  -0.440  1.00  0.00           H  
HETATM   53  H   UNL     1       3.122   1.877   1.516  1.00  0.00           H  
HETATM   54  H   UNL     1       4.712   2.701  -0.920  1.00  0.00           H  
HETATM   55  H   UNL     1       5.753   3.986   0.804  1.00  0.00           H  
HETATM   56  H   UNL     1       6.328   1.086  -0.572  1.00  0.00           H  
HETATM   57  H   UNL     1       7.201   2.531   1.150  1.00  0.00           H  
HETATM   58  H   UNL     1       4.975   0.026   1.916  1.00  0.00           H  
HETATM   59  H   UNL     1       6.220  -2.630  -2.644  1.00  0.00           H  
HETATM   60  H   UNL     1       5.232  -0.591  -1.738  1.00  0.00           H  
HETATM   61  H   UNL     1       6.971  -3.890   1.259  1.00  0.00           H  
CONECT    1    2   38                                                 
CONECT    2    1    3   39   40                                       
CONECT    3    2    5    4   41                                       
CONECT    4    3    9                                                 
CONECT    5    3    7    6   42                                       
CONECT    6    5   18                                                 
CONECT    7    5    9    8   43                                       
CONECT    8    7   44                                                 
CONECT    9    4    7   10   45                                       
CONECT   10    9   15   11                                            
CONECT   11   10   12   16   16                                       
CONECT   12   11   13   13                                            
CONECT   13   12   12   17   14                                       
CONECT   14   13   15   15   46                                       
CONECT   15   10   14   14   47                                       
CONECT   16   11   11                                                 
CONECT   17   13   48   49                                            
CONECT   18    6   19   19   20                                       
CONECT   18   21                                                      
CONECT   19   18   18                                                 
CONECT   20   18   50                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23   51   52                                       
CONECT   23   22   25   24   53                                       
CONECT   24   23   29                                                 
CONECT   25   23   26   27   54                                       
CONECT   26   25   55                                                 
CONECT   27   25   29   28   56                                       
CONECT   28   27   57                                                 
CONECT   29   24   27   30   58                                       
CONECT   30   29   35   31                                            
CONECT   31   30   32   36   36                                       
CONECT   32   31   33   61                                            
CONECT   33   32   34   37   37                                       
CONECT   34   33   35   35   59                                       
CONECT   35   30   34   34   60                                       
CONECT   36   31   31                                                 
CONECT   37   33   33                                                 
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    5                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   20                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
CONECT   59   34                                                      
CONECT   60   35                                                      
CONECT   61   32                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
