COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.983   2.362   0.981  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.845   3.033   0.208  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.774   2.016  -0.093  1.00  0.00           C  
HETATM    4  O   UNL     1       0.758  -3.868   1.488  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.975  -2.001  -0.461  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.705  -0.641  -0.586  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.694   0.277  -0.330  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.440   1.759  -0.454  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.417   2.016  -1.562  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.911   2.305   0.874  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.673  -2.596  -0.570  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.587  -3.559  -0.975  1.00  0.00           C  
HETATM   13  C   UNL     1       0.760  -2.939  -0.708  1.00  0.00           C  
HETATM   14  C   UNL     1       1.369  -3.128   0.524  1.00  0.00           C  
HETATM   15  C   UNL     1       2.525  -1.666  -1.463  1.00  0.00           C  
HETATM   16  C   UNL     1       4.473   0.132  -0.069  1.00  0.00           C  
HETATM   17  C   UNL     1       3.323   0.900  -0.139  1.00  0.00           C  
HETATM   18  C   UNL     1       3.418   2.285  -0.134  1.00  0.00           C  
HETATM   19  C   UNL     1       5.713   0.803   0.012  1.00  0.00           C  
HETATM   20  C   UNL     1       8.125   2.167   0.167  1.00  0.00           C  
HETATM   21  C   UNL     1       1.451  -4.015   2.729  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.382  -1.513  -0.109  1.00  0.00           O  
HETATM   23  N   UNL     1      -2.968  -2.938  -0.720  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.241  -2.430  -0.080  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.238  -1.511   0.178  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.971  -0.150   0.055  1.00  0.00           C  
HETATM   27  N   UNL     1      -6.935   0.792   0.308  1.00  0.00           N  
HETATM   28  O   UNL     1      -5.679   2.400  -0.776  1.00  0.00           O  
HETATM   29  C   UNL     1     -10.070   3.394   1.286  1.00  0.00           C  
HETATM   30  N   UNL     1       1.347  -2.227  -1.649  1.00  0.00           N  
HETATM   31  C   UNL     1       3.196  -1.804  -0.256  1.00  0.00           C  
HETATM   32  C   UNL     1       2.612  -2.552   0.761  1.00  0.00           C  
HETATM   33  O   UNL     1       4.410  -1.222  -0.072  1.00  0.00           O  
HETATM   34  C   UNL     1       6.921   0.093   0.091  1.00  0.00           C  
HETATM   35  C   UNL     1       8.100   0.768   0.167  1.00  0.00           C  
HETATM   36  O   UNL     1       9.315   2.817   0.244  1.00  0.00           O  
HETATM   37  C   UNL     1      10.491   2.009   0.321  1.00  0.00           C  
HETATM   38  C   UNL     1       6.957   2.891   0.092  1.00  0.00           C  
HETATM   39  C   UNL     1       5.727   2.219   0.012  1.00  0.00           C  
HETATM   40  N   UNL     1       4.576   2.898  -0.064  1.00  0.00           N  
HETATM   41  H   UNL     1      -9.405   1.557   0.380  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.596   1.954   1.915  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.232   3.441  -0.726  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.423   3.838   0.809  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.720  -0.309  -0.881  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.802   1.635  -2.508  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.236   3.087  -1.648  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.483   1.508  -1.319  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.980   1.798   1.130  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.728   3.375   0.780  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.647   2.129   1.658  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.685  -4.479  -0.400  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.679  -3.784  -2.038  1.00  0.00           H  
HETATM   54  H   UNL     1       2.974  -1.090  -2.260  1.00  0.00           H  
HETATM   55  H   UNL     1       2.355   0.423  -0.197  1.00  0.00           H  
HETATM   56  H   UNL     1       2.514   2.874  -0.189  1.00  0.00           H  
HETATM   57  H   UNL     1       0.855  -4.626   3.407  1.00  0.00           H  
HETATM   58  H   UNL     1       2.412  -4.499   2.553  1.00  0.00           H  
HETATM   59  H   UNL     1       1.615  -3.033   3.173  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.203  -3.835  -1.006  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.445  -3.486   0.015  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.221  -1.846   0.475  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.880   2.916   1.837  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.647   4.199   1.888  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.456   3.802   0.352  1.00  0.00           H  
HETATM   66  H   UNL     1       3.109  -2.678   1.711  1.00  0.00           H  
HETATM   67  H   UNL     1       6.915  -0.987   0.092  1.00  0.00           H  
HETATM   68  H   UNL     1       9.027   0.218   0.228  1.00  0.00           H  
HETATM   69  H   UNL     1      10.558   1.379  -0.566  1.00  0.00           H  
HETATM   70  H   UNL     1      11.370   2.652   0.377  1.00  0.00           H  
HETATM   71  H   UNL     1      10.443   1.381   1.210  1.00  0.00           H  
HETATM   72  H   UNL     1       6.988   3.971   0.093  1.00  0.00           H  
CONECT    1    2   29   41   42                                       
CONECT    2    1    3   43   44                                       
CONECT    3   28    2   27   27                                       
CONECT    4   14   21                                                 
CONECT    5    6   23   24   24                                       
CONECT    6    7    7    5   45                                       
CONECT    7    8    6    6   26                                       
CONECT    8   10   28    9    7                                       
CONECT    9    8   46   47   48                                       
CONECT   10    8   49   50   51                                       
CONECT   11   22   22   23   12                                       
CONECT   12   11   13   52   53                                       
CONECT   13   30   12   14   14                                       
CONECT   14   13   13   32    4                                       
CONECT   15   30   30   31   54                                       
CONECT   16   19   19   17   33                                       
CONECT   17   18   18   16   55                                       
CONECT   18   40   17   17   56                                       
CONECT   19   39   34   16   16                                       
CONECT   20   36   38   38   35                                       
CONECT   21    4   57   58   59                                       
CONECT   22   11   11                                                 
CONECT   23    5   11   60                                            
CONECT   24    5    5   25   61                                       
CONECT   25   26   26   24   62                                       
CONECT   26    7   27   25   25                                       
CONECT   27    3    3   26                                            
CONECT   28    8    3                                                 
CONECT   29    1   63   64   65                                       
CONECT   30   15   15   13                                            
CONECT   31   15   33   32   32                                       
CONECT   32   31   31   14   66                                       
CONECT   33   16   31                                                 
CONECT   34   35   35   19   67                                       
CONECT   35   20   34   34   68                                       
CONECT   36   37   20                                                 
CONECT   37   36   69   70   71                                       
CONECT   38   20   20   39   72                                       
CONECT   39   38   40   40   19                                       
CONECT   40   39   39   18                                            
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    6                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   15                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   32                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   37                                                      
CONECT   72   38                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
