COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.045  -0.260   0.936  1.00  0.00           C  
HETATM    2  O   UNL     1       6.024  -0.795   2.027  1.00  0.00           O  
HETATM    3  O   UNL     1       7.218  -0.063   0.305  1.00  0.00           O  
HETATM    4  C   UNL     1       8.417  -0.514   0.987  1.00  0.00           C  
HETATM    5  C   UNL     1       9.623  -0.211   0.136  1.00  0.00           C  
HETATM    6  C   UNL     1      10.280   0.998   0.272  1.00  0.00           C  
HETATM    7  C   UNL     1      11.386   1.275  -0.509  1.00  0.00           C  
HETATM    8  C   UNL     1      11.836   0.344  -1.426  1.00  0.00           C  
HETATM    9  C   UNL     1      11.180  -0.865  -1.561  1.00  0.00           C  
HETATM   10  C   UNL     1      10.076  -1.145  -0.777  1.00  0.00           C  
HETATM   11  N   UNL     1       4.893   0.131   0.356  1.00  0.00           N  
HETATM   12  C   UNL     1       3.616  -0.090   1.039  1.00  0.00           C  
HETATM   13  C   UNL     1       2.507  -0.160   0.022  1.00  0.00           C  
HETATM   14  O   UNL     1       2.758  -0.037  -1.158  1.00  0.00           O  
HETATM   15  C   UNL     1       3.350   1.066   2.006  1.00  0.00           C  
HETATM   16  N   UNL     1       1.236  -0.358   0.424  1.00  0.00           N  
HETATM   17  C   UNL     1       0.157  -0.426  -0.566  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.146  -0.040   0.085  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.260  -0.088   1.292  1.00  0.00           O  
HETATM   20  C   UNL     1       0.053  -1.852  -1.109  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.292  -2.809   0.033  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.044  -1.913  -2.174  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.186   0.360  -0.674  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.416   0.838  -0.038  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.589   0.567  -0.945  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.413   0.426  -2.136  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.306   2.342   0.218  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.585   2.840   0.895  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.714   2.196   2.277  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.524   4.361   1.045  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.480   1.367  -1.978  1.00  0.00           C  
HETATM   32  N   UNL     1      -6.933   2.501  -1.749  1.00  0.00           N  
HETATM   33  C   UNL     1      -6.959   0.128  -1.297  1.00  0.00           C  
HETATM   34  N   UNL     1      -5.832   0.483  -0.432  1.00  0.00           N  
HETATM   35  C   UNL     1      -8.073  -0.498  -0.454  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.583  -1.821   0.136  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.679  -2.437   0.966  1.00  0.00           C  
HETATM   38  O   UNL     1      -9.747  -1.873   1.075  1.00  0.00           O  
HETATM   39  N   UNL     1      -8.473  -3.615   1.588  1.00  0.00           N  
HETATM   40  H   UNL     1       8.508   0.003   1.943  1.00  0.00           H  
HETATM   41  H   UNL     1       8.355  -1.589   1.160  1.00  0.00           H  
HETATM   42  H   UNL     1       9.928   1.725   0.988  1.00  0.00           H  
HETATM   43  H   UNL     1      11.898   2.220  -0.403  1.00  0.00           H  
HETATM   44  H   UNL     1      12.700   0.561  -2.037  1.00  0.00           H  
HETATM   45  H   UNL     1      11.532  -1.593  -2.278  1.00  0.00           H  
HETATM   46  H   UNL     1       9.566  -2.091  -0.881  1.00  0.00           H  
HETATM   47  H   UNL     1       4.909   0.557  -0.515  1.00  0.00           H  
HETATM   48  H   UNL     1       3.659  -1.026   1.595  1.00  0.00           H  
HETATM   49  H   UNL     1       2.400   0.902   2.515  1.00  0.00           H  
HETATM   50  H   UNL     1       4.152   1.116   2.742  1.00  0.00           H  
HETATM   51  H   UNL     1       3.307   2.002   1.450  1.00  0.00           H  
HETATM   52  H   UNL     1       1.035  -0.456   1.368  1.00  0.00           H  
HETATM   53  H   UNL     1       0.371   0.261  -1.385  1.00  0.00           H  
HETATM   54  H   UNL     1       1.005  -2.143  -1.552  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.245  -2.519   0.476  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.366  -3.826  -0.354  1.00  0.00           H  
HETATM   57  H   UNL     1       0.489  -2.766   0.792  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.862  -1.146  -2.928  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.038  -2.895  -2.647  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.014  -1.740  -1.708  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.120   0.330  -1.641  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.562   0.318   0.909  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.452   2.539   0.867  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.170   2.863  -0.729  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.447   2.569   0.286  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.887   2.521   2.908  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.658   2.497   2.731  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.689   1.111   2.176  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.432   4.820   0.060  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.436   4.715   1.527  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.662   4.632   1.654  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.316   1.299  -2.659  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.268   3.299  -2.187  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.628  -0.588  -2.050  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.981   0.657   0.511  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.342   0.183   0.353  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.945  -0.680  -1.082  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.313  -2.502  -0.672  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.711  -1.638   0.764  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.619  -4.066   1.501  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.179  -4.011   2.123  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   40   41                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   42                                       
CONECT    7    6    8    8   43                                       
CONECT    8    7    7    9   44                                       
CONECT    9    8   10   10   45                                       
CONECT   10    5    9    9   46                                       
CONECT   11   12   47    1                                            
CONECT   12   11   13   15   48                                       
CONECT   13   12   14   14   16                                       
CONECT   14   13   13                                                 
CONECT   15   12   49   50   51                                       
CONECT   16   17   52   13                                            
CONECT   17   16   18   20   53                                       
CONECT   18   17   19   19   23                                       
CONECT   19   18   18                                                 
CONECT   20   17   21   22   54                                       
CONECT   21   20   55   56   57                                       
CONECT   22   20   58   59   60                                       
CONECT   23   24   61   18                                            
CONECT   24   23   25   27   62                                       
CONECT   25   24   26   26   34                                       
CONECT   26   25   25                                                 
CONECT   27   24   28   63   64                                       
CONECT   28   27   29   30   65                                       
CONECT   29   28   66   67   68                                       
CONECT   30   28   69   70   71                                       
CONECT   31   33   32   32   72                                       
CONECT   32   31   31   73                                            
CONECT   33   35   34   31   74                                       
CONECT   34   33   75   25                                            
CONECT   35   36   33   76   77                                       
CONECT   36   37   35   78   79                                       
CONECT   37   38   38   39   36                                       
CONECT   38   37   37                                                 
CONECT   39   37   80   81                                            
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   36                                                      
CONECT   80   39                                                      
CONECT   81   39                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
