COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.404  -0.230  -4.880  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.465  -0.371  -5.924  1.00  0.00           C  
HETATM    3  C   UNL     1       0.843  -0.681  -5.620  1.00  0.00           C  
HETATM    4  C   UNL     1       1.244  -0.854  -4.299  1.00  0.00           C  
HETATM    5  C   UNL     1       0.359  -0.723  -3.272  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.984  -0.414  -3.540  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.857  -0.200  -7.252  1.00  0.00           N  
HETATM    8  C   UNL     1       1.288   0.423  -1.280  1.00  0.00           C  
HETATM    9  N   UNL     1       2.397   0.937  -2.087  1.00  0.00           N  
HETATM   10  C   UNL     1       3.532   0.220  -2.207  1.00  0.00           C  
HETATM   11  C   UNL     1       1.749   0.230   0.141  1.00  0.00           C  
HETATM   12  N   UNL     1       0.873   0.359   1.157  1.00  0.00           N  
HETATM   13  C   UNL     1       1.321   0.172   2.539  1.00  0.00           C  
HETATM   14  C   UNL     1       0.139   0.373   3.490  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.106   0.182   7.328  1.00  0.00           C  
HETATM   16  C   UNL     1       0.607   0.177   4.934  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.209   0.371   8.216  1.00  0.00           O  
HETATM   18  O   UNL     1       3.635  -0.849  -1.647  1.00  0.00           O  
HETATM   19  C   UNL     1       4.673   0.749  -3.037  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.409  -1.226  -7.929  1.00  0.00           C  
HETATM   21  O   UNL     1       2.908  -0.041   0.371  1.00  0.00           O  
HETATM   22  C   UNL     1       0.820  -0.916  -1.851  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.751  -1.077  -9.085  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.601  -2.545  -7.259  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.260  -2.694  -6.105  1.00  0.00           O  
HETATM   26  C   UNL     1       0.438   1.249  -8.697  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.679   1.030  -7.877  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.603   2.050  -7.688  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.423   3.270  -8.309  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.324   3.487  -9.124  1.00  0.00           C  
HETATM   31  C   UNL     1       0.602   2.488  -9.324  1.00  0.00           C  
HETATM   32  O   UNL     1       1.224  -0.932  -8.452  1.00  0.00           O  
HETATM   33  O   UNL     1       2.554   0.424  -9.602  1.00  0.00           O  
HETATM   34  C   UNL     1       1.426   0.176  -8.907  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.736   0.185   9.475  1.00  0.00           C  
HETATM   36  C   UNL     1       0.579  -0.118   9.663  1.00  0.00           C  
HETATM   37  C   UNL     1       1.077  -0.311  10.962  1.00  0.00           C  
HETATM   38  C   UNL     1       0.205  -0.189  12.075  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.145   0.122  11.867  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.610   0.315  10.575  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.029   0.643  10.349  1.00  0.00           C  
HETATM   42  O   UNL     1      -3.870   0.755  11.396  1.00  0.00           O  
HETATM   43  O   UNL     1      -3.441   0.813   9.219  1.00  0.00           O  
HETATM   44  C   UNL     1      -2.746   0.083  -5.145  1.00  0.00           C  
HETATM   45  C   UNL     1      -3.625   0.212  -4.113  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.212   0.036  -2.794  1.00  0.00           C  
HETATM   47  C   UNL     1      -1.918  -0.268  -2.499  1.00  0.00           C  
HETATM   48  C   UNL     1      -0.574   0.378   5.884  1.00  0.00           C  
HETATM   49  O   UNL     1      -2.152  -3.570  -7.936  1.00  0.00           O  
HETATM   50  C   UNL     1       2.430  -0.625  11.180  1.00  0.00           C  
HETATM   51  C   UNL     1       2.884  -0.807  12.449  1.00  0.00           C  
HETATM   52  C   UNL     1       2.028  -0.687  13.543  1.00  0.00           C  
HETATM   53  C   UNL     1       0.713  -0.385  13.373  1.00  0.00           C  
HETATM   54  H   UNL     1       1.565  -0.789  -6.416  1.00  0.00           H  
HETATM   55  H   UNL     1       2.275  -1.096  -4.085  1.00  0.00           H  
HETATM   56  H   UNL     1       0.463   1.135  -1.301  1.00  0.00           H  
HETATM   57  H   UNL     1       2.315   1.793  -2.535  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.054   0.577   0.973  1.00  0.00           H  
HETATM   59  H   UNL     1       1.716  -0.836   2.659  1.00  0.00           H  
HETATM   60  H   UNL     1       2.101   0.897   2.770  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.255   1.382   3.370  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.640  -0.352   3.259  1.00  0.00           H  
HETATM   63  H   UNL     1       0.288  -0.825   7.448  1.00  0.00           H  
HETATM   64  H   UNL     1       0.673   0.908   7.559  1.00  0.00           H  
HETATM   65  H   UNL     1       1.002  -0.831   5.054  1.00  0.00           H  
HETATM   66  H   UNL     1       1.387   0.903   5.164  1.00  0.00           H  
HETATM   67  H   UNL     1       5.498   0.037  -3.016  1.00  0.00           H  
HETATM   68  H   UNL     1       4.340   0.889  -4.066  1.00  0.00           H  
HETATM   69  H   UNL     1       5.006   1.704  -2.631  1.00  0.00           H  
HETATM   70  H   UNL     1       1.645  -1.628  -1.830  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.004  -1.299  -1.250  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.463   1.888  -7.055  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.145   4.059  -8.158  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.193   4.445  -9.605  1.00  0.00           H  
HETATM   75  H   UNL     1       1.457   2.662  -9.960  1.00  0.00           H  
HETATM   76  H   UNL     1       3.202  -0.280  -9.739  1.00  0.00           H  
HETATM   77  H   UNL     1       1.239  -0.211   8.812  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.817   0.217  12.707  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.801   0.971  11.248  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.080   0.223  -6.163  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.657   0.454  -4.319  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.928   0.144  -1.993  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.612  -0.401  -1.472  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.969   1.387   5.764  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.354  -0.346   5.654  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.276  -4.425  -7.501  1.00  0.00           H  
HETATM   87  H   UNL     1       3.105  -0.722  10.343  1.00  0.00           H  
HETATM   88  H   UNL     1       3.924  -1.048  12.612  1.00  0.00           H  
HETATM   89  H   UNL     1       2.415  -0.837  14.540  1.00  0.00           H  
HETATM   90  H   UNL     1       0.061  -0.295  14.230  1.00  0.00           H  
CONECT    1    2    2    6   44                                       
CONECT    2    1    1    3    7                                       
CONECT    3    2    4    4   54                                       
CONECT    4    3    3    5   55                                       
CONECT    5    4    6    6   22                                       
CONECT    6    1    5    5   47                                       
CONECT    7    2   20   27                                            
CONECT    8    9   11   22   56                                       
CONECT    9    8   10   57                                            
CONECT   10    9   18   18   19                                       
CONECT   11    8   12   21   21                                       
CONECT   12   11   13   58                                            
CONECT   13   12   14   59   60                                       
CONECT   14   13   16   61   62                                       
CONECT   15   17   48   63   64                                       
CONECT   16   14   48   65   66                                       
CONECT   17   15   35                                                 
CONECT   18   10   10                                                 
CONECT   19   10   67   68   69                                       
CONECT   20    7   23   23   24                                       
CONECT   21   11   11                                                 
CONECT   22    5    8   70   71                                       
CONECT   23   20   20                                                 
CONECT   24   20   25   25   49                                       
CONECT   25   24   24                                                 
CONECT   26   27   27   31   34                                       
CONECT   27    7   26   26   28                                       
CONECT   28   27   29   29   72                                       
CONECT   29   28   28   30   73                                       
CONECT   30   29   31   31   74                                       
CONECT   31   26   30   30   75                                       
CONECT   32   34   34                                                 
CONECT   33   34   76                                                 
CONECT   34   26   32   32   33                                       
CONECT   35   17   36   36   40                                       
CONECT   36   35   35   37   77                                       
CONECT   37   36   38   38   50                                       
CONECT   38   37   37   39   53                                       
CONECT   39   38   40   40   78                                       
CONECT   40   35   39   39   41                                       
CONECT   41   40   42   43   43                                       
CONECT   42   41   79                                                 
CONECT   43   41   41                                                 
CONECT   44    1   45   45   80                                       
CONECT   45   44   44   46   81                                       
CONECT   46   45   47   47   82                                       
CONECT   47    6   46   46   83                                       
CONECT   48   15   16   84   85                                       
CONECT   49   24   86                                                 
CONECT   50   37   51   51   87                                       
CONECT   51   50   50   52   88                                       
CONECT   52   51   53   53   89                                       
CONECT   53   38   52   52   90                                       
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   33                                                      
CONECT   77   36                                                      
CONECT   78   39                                                      
CONECT   79   42                                                      
CONECT   80   44                                                      
CONECT   81   45                                                      
CONECT   82   46                                                      
CONECT   83   47                                                      
CONECT   84   48                                                      
CONECT   85   48                                                      
CONECT   86   49                                                      
CONECT   87   50                                                      
CONECT   88   51                                                      
CONECT   89   52                                                      
CONECT   90   53                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
