COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.156   3.754  -0.368  1.00  0.00           C  
HETATM    2  C   UNL     1       3.821   2.402  -0.273  1.00  0.00           C  
HETATM    3  C   UNL     1       6.142   1.815  -0.696  1.00  0.00           C  
HETATM    4  C   UNL     1       2.722  -1.596   0.028  1.00  0.00           C  
HETATM    5  C   UNL     1       0.803   0.379   0.341  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.038   1.654   0.434  1.00  0.00           C  
HETATM    7  C   UNL     1       1.929  -2.159  -0.962  1.00  0.00           C  
HETATM    8  C   UNL     1       1.515  -3.472  -0.853  1.00  0.00           C  
HETATM    9  C   UNL     1       2.686  -3.667   1.237  1.00  0.00           C  
HETATM   10  C   UNL     1       0.675  -6.036  -0.704  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.434   1.301   0.704  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.961   1.169   1.935  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.387   0.808   1.798  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.637   0.743   0.411  1.00  0.00           C  
HETATM   15  C   UNL     1       6.448   3.155  -0.784  1.00  0.00           C  
HETATM   16  N   UNL     1       2.549   2.000  -0.025  1.00  0.00           N  
HETATM   17  O   UNL     1       5.263  -0.879  -0.467  1.00  0.00           O  
HETATM   18  C   UNL     1       5.460   4.118  -0.621  1.00  0.00           C  
HETATM   19  C   UNL     1       4.829   1.426  -0.440  1.00  0.00           C  
HETATM   20  C   UNL     1       2.238   0.743   0.063  1.00  0.00           C  
HETATM   21  N   UNL     1       3.142  -0.263  -0.083  1.00  0.00           N  
HETATM   22  C   UNL     1       4.444   0.011  -0.334  1.00  0.00           C  
HETATM   23  C   UNL     1       1.893  -4.229   0.247  1.00  0.00           C  
HETATM   24  C   UNL     1       3.095  -2.352   1.131  1.00  0.00           C  
HETATM   25  O   UNL     1       1.490  -5.523   0.352  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.358   1.071  -0.246  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.410   0.551   2.695  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.676   0.230   2.226  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.927   0.164   0.872  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.911   0.421  -0.047  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.169   1.118  -1.445  1.00  0.00           O  
HETATM   32  O   UNL     1      -1.365   1.321   2.982  1.00  0.00           O  
HETATM   33  O   UNL     1      -5.161   0.356  -1.378  1.00  0.00           O  
HETATM   34  C   UNL     1      -6.506   0.075  -1.772  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.316   1.373  -1.781  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.509  -0.538  -3.174  1.00  0.00           C  
HETATM   37  H   UNL     1       3.395   4.511  -0.247  1.00  0.00           H  
HETATM   38  H   UNL     1       6.914   1.071  -0.823  1.00  0.00           H  
HETATM   39  H   UNL     1       0.742  -0.165   1.283  1.00  0.00           H  
HETATM   40  H   UNL     1       0.424  -0.248  -0.466  1.00  0.00           H  
HETATM   41  H   UNL     1       0.341   2.281   1.241  1.00  0.00           H  
HETATM   42  H   UNL     1       0.023   2.199  -0.509  1.00  0.00           H  
HETATM   43  H   UNL     1       1.634  -1.569  -1.818  1.00  0.00           H  
HETATM   44  H   UNL     1       0.897  -3.909  -1.623  1.00  0.00           H  
HETATM   45  H   UNL     1       2.983  -4.258   2.091  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.241  -5.449  -0.774  1.00  0.00           H  
HETATM   47  H   UNL     1       1.220  -5.974  -1.646  1.00  0.00           H  
HETATM   48  H   UNL     1       0.425  -7.076  -0.497  1.00  0.00           H  
HETATM   49  H   UNL     1       7.465   3.461  -0.981  1.00  0.00           H  
HETATM   50  H   UNL     1       5.718   5.164  -0.693  1.00  0.00           H  
HETATM   51  H   UNL     1       3.713  -1.916   1.902  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.223   0.599   3.757  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.472   0.030   2.928  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.917  -0.087   0.520  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.952  -0.627  -1.068  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.342   1.158  -2.082  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.314   1.809  -0.782  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.871   2.075  -2.486  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.931  -1.462  -3.168  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.535  -0.752  -3.475  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.063   0.165  -3.879  1.00  0.00           H  
CONECT    1    2    2   18   37                                       
CONECT    2   16    1    1   19                                       
CONECT    3   19   19   15   38                                       
CONECT    4   24   21    7    7                                       
CONECT    5    6   20   39   40                                       
CONECT    6   11    5   41   42                                       
CONECT    7    4    4    8   43                                       
CONECT    8   23   23    7   44                                       
CONECT    9   24   24   23   45                                       
CONECT   10   25   46   47   48                                       
CONECT   11   26   12    6                                            
CONECT   12   13   11   32   32                                       
CONECT   13   14   14   27   12                                       
CONECT   14   30   26   13   13                                       
CONECT   15   18   18    3   49                                       
CONECT   16   20   20    2                                            
CONECT   17   22   22                                                 
CONECT   18    1   15   15   50                                       
CONECT   19    2   22    3    3                                       
CONECT   20    5   16   16   21                                       
CONECT   21   20    4   22                                            
CONECT   22   21   19   17   17                                       
CONECT   23    9   25    8    8                                       
CONECT   24    9    9    4   51                                       
CONECT   25   23   10                                                 
CONECT   26   31   31   14   11                                       
CONECT   27   28   28   13   52                                       
CONECT   28   29   27   27   53                                       
CONECT   29   30   30   28   54                                       
CONECT   30   33   29   29   14                                       
CONECT   31   26   26                                                 
CONECT   32   12   12                                                 
CONECT   33   34   30                                                 
CONECT   34   35   36   33   55                                       
CONECT   35   34   56   57   58                                       
CONECT   36   34   59   60   61                                       
CONECT   37    1                                                      
CONECT   38    3                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   15                                                      
CONECT   50   18                                                      
CONECT   51   24                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   34                                                      
CONECT   56   35                                                      
CONECT   57   35                                                      
CONECT   58   35                                                      
CONECT   59   36                                                      
CONECT   60   36                                                      
CONECT   61   36                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
