COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.342  -2.604  -1.589  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.430   0.771   1.748  1.00  0.00           N  
HETATM    3  C   UNL     1      -5.705   2.312  -0.142  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.585   2.297  -2.172  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.252   2.035  -2.457  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.316   2.043  -1.441  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.036   2.004  -4.488  1.00  0.00           C  
HETATM    8  C   UNL     1       2.747  -2.557  -0.704  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.368  -1.209   1.216  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.277  -0.301   1.751  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.529  -0.146   1.199  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.898  -0.915   0.075  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.973  -1.839  -0.470  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.698  -1.975   0.119  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.166  -0.781  -0.512  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.486  -1.531  -1.603  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.578  -2.444  -2.136  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.032   2.573   0.144  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.973   2.566  -0.868  1.00  0.00           C  
HETATM   20  C   UNL     1       1.665  -1.743  -0.981  1.00  0.00           C  
HETATM   21  C   UNL     1       3.898  -2.019  -0.163  1.00  0.00           C  
HETATM   22  C   UNL     1       3.970  -0.657   0.097  1.00  0.00           C  
HETATM   23  C   UNL     1       2.883   0.160  -0.187  1.00  0.00           C  
HETATM   24  C   UNL     1       1.731  -0.387  -0.717  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.305   0.366   2.852  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.580   0.549   4.160  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.666  -4.229   0.157  1.00  0.00           C  
HETATM   28  C   UNL     1       0.257  -4.202   1.348  1.00  0.00           C  
HETATM   29  C   UNL     1       6.339  -0.613   0.312  1.00  0.00           C  
HETATM   30  C   UNL     1       7.584  -0.099   0.988  1.00  0.00           C  
HETATM   31  C   UNL     1      10.746   2.409  -0.099  1.00  0.00           C  
HETATM   32  C   UNL     1      11.959   2.634   0.807  1.00  0.00           C  
HETATM   33  C   UNL     1       7.797   3.469  -1.178  1.00  0.00           C  
HETATM   34  C   UNL     1       6.692   4.527  -1.121  1.00  0.00           C  
HETATM   35  N   UNL     1      -0.774  -2.882  -0.408  1.00  0.00           N  
HETATM   36  N   UNL     1       5.134  -0.108   0.646  1.00  0.00           N  
HETATM   37  N   UNL     1      -5.223   0.331   5.324  1.00  0.00           N  
HETATM   38  N   UNL     1       0.508  -5.335   2.032  1.00  0.00           N  
HETATM   39  O   UNL     1      -5.046   3.119   2.193  1.00  0.00           O  
HETATM   40  O   UNL     1      -3.254   2.571   0.538  1.00  0.00           O  
HETATM   41  O   UNL     1      -8.508   2.289  -3.169  1.00  0.00           O  
HETATM   42  O   UNL     1      -0.472  -1.371  -2.336  1.00  0.00           O  
HETATM   43  O   UNL     1       0.589  -3.635  -2.323  1.00  0.00           O  
HETATM   44  O   UNL     1      -3.416   0.893   4.166  1.00  0.00           O  
HETATM   45  O   UNL     1       0.774  -3.159   1.691  1.00  0.00           O  
HETATM   46  O   UNL     1       6.420  -1.480  -0.532  1.00  0.00           O  
HETATM   47  O   UNL     1       9.812   1.553   0.561  1.00  0.00           O  
HETATM   48  O   UNL     1       8.673   0.479  -1.419  1.00  0.00           O  
HETATM   49  O   UNL     1       7.472   2.394  -0.295  1.00  0.00           O  
HETATM   50  P   UNL     1       8.415   1.103  -0.102  1.00  0.00           P  
HETATM   51  S   UNL     1       0.198  -2.434  -1.671  1.00  0.00           S  
HETATM   52  S   UNL     1      -4.510   2.314   1.152  1.00  0.00           S  
HETATM   53  H   UNL     1      -2.647  -3.312  -2.015  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.948   1.825  -3.471  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.279   1.839  -1.662  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.298   2.750  -4.779  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.579   1.014  -4.504  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.873   2.029  -5.186  1.00  0.00           H  
HETATM   59  H   UNL     1       2.691  -3.617  -0.907  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.392  -1.315   1.665  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.997   0.289   2.611  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.881  -0.081  -0.107  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.462  -1.427  -2.053  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.859  -3.034  -2.996  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.334   2.783   1.160  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.009   2.771  -0.644  1.00  0.00           H  
HETATM   67  H   UNL     1       4.742  -2.656   0.057  1.00  0.00           H  
HETATM   68  H   UNL     1       2.935   1.219   0.015  1.00  0.00           H  
HETATM   69  H   UNL     1       0.883   0.247  -0.934  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.205   0.981   2.847  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.580  -0.682   2.733  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.268  -4.908  -0.596  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.653  -4.572   0.470  1.00  0.00           H  
HETATM   74  H   UNL     1       7.315   0.387   1.926  1.00  0.00           H  
HETATM   75  H   UNL     1       8.258  -0.932   1.190  1.00  0.00           H  
HETATM   76  H   UNL     1      10.272   3.366  -0.315  1.00  0.00           H  
HETATM   77  H   UNL     1      11.070   1.945  -1.031  1.00  0.00           H  
HETATM   78  H   UNL     1      12.433   1.677   1.023  1.00  0.00           H  
HETATM   79  H   UNL     1      12.672   3.287   0.303  1.00  0.00           H  
HETATM   80  H   UNL     1      11.636   3.098   1.738  1.00  0.00           H  
HETATM   81  H   UNL     1       7.884   3.090  -2.197  1.00  0.00           H  
HETATM   82  H   UNL     1       8.743   3.916  -0.875  1.00  0.00           H  
HETATM   83  H   UNL     1       6.940   5.347  -1.794  1.00  0.00           H  
HETATM   84  H   UNL     1       5.745   4.081  -1.424  1.00  0.00           H  
HETATM   85  H   UNL     1       6.605   4.906  -0.103  1.00  0.00           H  
HETATM   86  H   UNL     1       5.075   0.636   1.266  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.757   0.449   6.166  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.154   0.056   5.319  1.00  0.00           H  
HETATM   89  H   UNL     1       0.095  -6.169   1.758  1.00  0.00           H  
HETATM   90  H   UNL     1       1.103  -5.318   2.799  1.00  0.00           H  
CONECT    1   17   17   13   53                                       
CONECT    2   25   11   52                                            
CONECT    3   52    6    6   18                                       
CONECT    4    5    5   19   41                                       
CONECT    5    6    4    4   54                                       
CONECT    6    3    3    5   55                                       
CONECT    7   41   56   57   58                                       
CONECT    8   20   20   21   59                                       
CONECT    9   10   10   14   60                                       
CONECT   10   11    9    9   61                                       
CONECT   11    2   12   12   10                                       
CONECT   12   15   11   11   13                                       
CONECT   13   12    1   14   14                                       
CONECT   14   13   13    9   35                                       
CONECT   15   16   16   12   62                                       
CONECT   16   15   15   17   63                                       
CONECT   17   16    1    1   64                                       
CONECT   18    3   19   19   65                                       
CONECT   19   18   18    4   66                                       
CONECT   20   51    8    8   24                                       
CONECT   21    8   22   22   67                                       
CONECT   22   21   21   23   36                                       
CONECT   23   24   24   22   68                                       
CONECT   24   20   23   23   69                                       
CONECT   25   26    2   70   71                                       
CONECT   26   37   44   44   25                                       
CONECT   27   28   35   72   73                                       
CONECT   28   38   45   45   27                                       
CONECT   29   46   46   36   30                                       
CONECT   30   29   50   74   75                                       
CONECT   31   32   47   76   77                                       
CONECT   32   31   78   79   80                                       
CONECT   33   34   49   81   82                                       
CONECT   34   33   83   84   85                                       
CONECT   35   27   14   51                                            
CONECT   36   22   29   86                                            
CONECT   37   26   87   88                                            
CONECT   38   28   89   90                                            
CONECT   39   52   52                                                 
CONECT   40   52   52                                                 
CONECT   41    4    7                                                 
CONECT   42   51   51                                                 
CONECT   43   51   51                                                 
CONECT   44   26   26                                                 
CONECT   45   28   28                                                 
CONECT   46   29   29                                                 
CONECT   47   31   50                                                 
CONECT   48   50   50                                                 
CONECT   49   50   33                                                 
CONECT   50   47   49   30   48                                       
CONECT   50   48                                                      
CONECT   51   35   42   42   43                                       
CONECT   51   43   20                                                 
CONECT   52    2   39   39   40                                       
CONECT   52   40    3                                                 
CONECT   53    1                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   21                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
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   37                                                      
CONECT   89   38                                                      
CONECT   90   38                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
