COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.724   0.664  -4.552  1.00  0.00           C  
HETATM    2  N   UNL     1       3.378   0.819  -5.861  1.00  0.00           N  
HETATM    3  C   UNL     1       4.503   1.216  -6.539  1.00  0.00           C  
HETATM    4  C   UNL     1       5.526   1.298  -5.579  1.00  0.00           C  
HETATM    5  N   UNL     1       4.984   0.945  -4.388  1.00  0.00           N  
HETATM    6  N   UNL     1       4.778   1.522  -7.803  1.00  0.00           N  
HETATM    7  C   UNL     1       5.993   1.887  -8.155  1.00  0.00           C  
HETATM    8  N   UNL     1       6.987   1.973  -7.290  1.00  0.00           N  
HETATM    9  C   UNL     1       6.805   1.692  -6.004  1.00  0.00           C  
HETATM   10  N   UNL     1       7.853   1.784  -5.104  1.00  0.00           N  
HETATM   11  C   UNL     1       2.051   0.598  -6.440  1.00  0.00           C  
HETATM   12  C   UNL     1       1.855  -0.894  -6.810  1.00  0.00           C  
HETATM   13  O   UNL     1       2.363  -1.165  -8.118  1.00  0.00           O  
HETATM   14  C   UNL     1       0.311  -1.038  -6.776  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.229  -0.936  -8.095  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.154   0.142  -5.901  1.00  0.00           C  
HETATM   17  O   UNL     1       1.021   0.838  -5.457  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.936  -0.381  -4.695  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.358   0.719  -3.887  1.00  0.00           O  
HETATM   20  P   UNL     1      -2.170   0.098  -2.643  1.00  0.00           P  
HETATM   21  O   UNL     1      -1.284  -0.806  -1.877  1.00  0.00           O  
HETATM   22  O   UNL     1      -3.439  -0.728  -3.189  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.677   1.289  -1.686  1.00  0.00           O  
HETATM   24  P   UNL     1      -3.477   0.600  -0.470  1.00  0.00           P  
HETATM   25  O   UNL     1      -2.571  -0.312   0.261  1.00  0.00           O  
HETATM   26  O   UNL     1      -4.724  -0.234  -1.053  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.016   1.739   0.531  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.713   1.068   1.583  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.253   2.100   2.576  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.999   1.381   3.702  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.089   2.900   3.164  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.211   3.049   1.854  1.00  0.00           C  
HETATM   33  O   UNL     1      -7.165   0.747   3.172  1.00  0.00           O  
HETATM   34  C   UNL     1      -5.098   0.343   4.319  1.00  0.00           C  
HETATM   35  O   UNL     1      -5.319  -0.835   4.137  1.00  0.00           O  
HETATM   36  N   UNL     1      -4.048   0.724   5.073  1.00  0.00           N  
HETATM   37  C   UNL     1      -3.220  -0.284   5.739  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.105   0.409   6.523  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.253  -0.628   7.208  1.00  0.00           C  
HETATM   40  O   UNL     1      -1.513  -1.806   7.082  1.00  0.00           O  
HETATM   41  N   UNL     1      -0.203  -0.247   7.962  1.00  0.00           N  
HETATM   42  C   UNL     1       0.625  -1.255   8.628  1.00  0.00           C  
HETATM   43  C   UNL     1       1.740  -0.562   9.413  1.00  0.00           C  
HETATM   44  S   UNL     1       2.763  -1.808  10.236  1.00  0.00           S  
HETATM   45  P   UNL     1      -1.028  -2.305  -8.377  1.00  0.00           P  
HETATM   46  O   UNL     1      -1.668  -2.259  -9.854  1.00  0.00           O  
HETATM   47  O   UNL     1      -0.014  -3.550  -8.270  1.00  0.00           O  
HETATM   48  O   UNL     1      -2.108  -2.461  -7.376  1.00  0.00           O  
HETATM   49  C   UNL     1       3.898  -0.792  11.017  1.00  0.00           C  
HETATM   50  C   UNL     1       4.994  -1.394  11.858  1.00  0.00           C  
HETATM   51  C   UNL     1       5.851  -0.293  12.430  1.00  0.00           C  
HETATM   52  O   UNL     1       3.820   0.412  10.893  1.00  0.00           O  
HETATM   53  O   UNL     1       6.895  -0.595  13.216  1.00  0.00           O  
HETATM   54  O   UNL     1       5.597   0.860  12.179  1.00  0.00           O  
HETATM   55  H   UNL     1       3.051   0.353  -3.766  1.00  0.00           H  
HETATM   56  H   UNL     1       6.184   2.125  -9.191  1.00  0.00           H  
HETATM   57  H   UNL     1       8.732   2.058  -5.410  1.00  0.00           H  
HETATM   58  H   UNL     1       7.708   1.576  -4.168  1.00  0.00           H  
HETATM   59  H   UNL     1       1.903   1.232  -7.313  1.00  0.00           H  
HETATM   60  H   UNL     1       2.324  -1.543  -6.070  1.00  0.00           H  
HETATM   61  H   UNL     1       3.310  -0.969  -8.097  1.00  0.00           H  
HETATM   62  H   UNL     1       0.026  -1.986  -6.320  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.783   0.812  -6.488  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.298  -1.040  -4.107  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.810  -0.934  -5.041  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.989  -0.103  -3.681  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.288   0.395  -1.521  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.030   0.392   2.097  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.542   0.499   1.164  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.294   2.105   4.462  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.345   2.214   3.570  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.634   3.508   2.383  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.459   3.547   3.960  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.074   2.490   1.493  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.543   3.824   2.544  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.698   3.510   1.010  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.861   0.116   2.505  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.840   1.666   5.174  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.837  -0.866   6.423  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.782  -0.945   4.991  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.487   0.991   5.839  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.543   1.070   7.271  1.00  0.00           H  
HETATM   83  H   UNL     1       0.004   0.694   8.064  1.00  0.00           H  
HETATM   84  H   UNL     1       0.007  -1.838   9.312  1.00  0.00           H  
HETATM   85  H   UNL     1       1.063  -1.917   7.881  1.00  0.00           H  
HETATM   86  H   UNL     1       2.357   0.020   8.729  1.00  0.00           H  
HETATM   87  H   UNL     1       1.302   0.099  10.160  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.136  -3.095  -9.982  1.00  0.00           H  
HETATM   89  H   UNL     1       0.671  -3.410  -8.936  1.00  0.00           H  
HETATM   90  H   UNL     1       4.553  -1.970  12.672  1.00  0.00           H  
HETATM   91  H   UNL     1       5.608  -2.049  11.241  1.00  0.00           H  
HETATM   92  H   UNL     1       7.445   0.110  13.583  1.00  0.00           H  
CONECT    1    2    5    5   55                                       
CONECT    2    1    3   11                                            
CONECT    3    2    4    6    6                                       
CONECT    4    3    5    9    9                                       
CONECT    5    1    1    4                                            
CONECT    6    3    3    7                                            
CONECT    7    6    8    8   56                                       
CONECT    8    7    7    9                                            
CONECT    9    4    4    8   10                                       
CONECT   10    9   57   58                                            
CONECT   11    2   12   17   59                                       
CONECT   12   11   13   14   60                                       
CONECT   13   12   61                                                 
CONECT   14   12   15   16   62                                       
CONECT   15   14   45                                                 
CONECT   16   14   17   18   63                                       
CONECT   17   11   16                                                 
CONECT   18   16   19   64   65                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   21   22                                       
CONECT   20   23                                                      
CONECT   21   20   20                                                 
CONECT   22   20   66                                                 
CONECT   23   20   24                                                 
CONECT   24   23   25   25   26                                       
CONECT   24   27                                                      
CONECT   25   24   24                                                 
CONECT   26   24   67                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   68   69                                       
CONECT   29   28   30   31   32                                       
CONECT   30   29   33   34   70                                       
CONECT   31   29   71   72   73                                       
CONECT   32   29   74   75   76                                       
CONECT   33   30   77                                                 
CONECT   34   30   35   35   36                                       
CONECT   35   34   34                                                 
CONECT   36   34   37   78                                            
CONECT   37   36   38   79   80                                       
CONECT   38   37   39   81   82                                       
CONECT   39   38   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   42   83                                            
CONECT   42   41   43   84   85                                       
CONECT   43   42   44   86   87                                       
CONECT   44   43   49                                                 
CONECT   45   15   46   47   48                                       
CONECT   45   48                                                      
CONECT   46   45   88                                                 
CONECT   47   45   89                                                 
CONECT   48   45   45                                                 
CONECT   49   44   50   52   52                                       
CONECT   50   49   51   90   91                                       
CONECT   51   50   53   54   54                                       
CONECT   52   49   49                                                 
CONECT   53   51   92                                                 
CONECT   54   51   51                                                 
CONECT   55    1                                                      
CONECT   56    7                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   16                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   22                                                      
CONECT   67   26                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   38                                                      
CONECT   83   41                                                      
CONECT   84   42                                                      
CONECT   85   42                                                      
CONECT   86   43                                                      
CONECT   87   43                                                      
CONECT   88   46                                                      
CONECT   89   47                                                      
CONECT   90   50                                                      
CONECT   91   50                                                      
CONECT   92   53                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
