COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.543  -2.810  -0.025  1.00  0.00           C  
HETATM    2  C   UNL     1       4.828  -1.338  -1.432  1.00  0.00           C  
HETATM    3  C   UNL     1       4.315  -1.268  -2.847  1.00  0.00           C  
HETATM    4  C   UNL     1       4.720  -1.577   2.233  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.815  -0.323   2.219  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.524  -0.881   1.964  1.00  0.00           O  
HETATM    7  C   UNL     1      -5.153  -0.881   0.584  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.782  -1.488   0.433  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.535  -2.763   0.341  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.199  -2.957   0.215  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.388  -4.095   0.064  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.088  -3.994  -0.043  1.00  0.00           N  
HETATM   13  C   UNL     1       1.939  -2.745  -0.142  1.00  0.00           C  
HETATM   14  C   UNL     1       2.572  -1.516  -0.122  1.00  0.00           C  
HETATM   15  C   UNL     1       4.049  -1.447  -0.246  1.00  0.00           C  
HETATM   16  N   UNL     1       6.071  -1.317  -1.051  1.00  0.00           N  
HETATM   17  O   UNL     1       6.177  -1.389   0.151  1.00  0.00           O  
HETATM   18  C   UNL     1       4.982  -1.473   0.752  1.00  0.00           C  
HETATM   19  C   UNL     1       1.827  -0.331   0.015  1.00  0.00           C  
HETATM   20  O   UNL     1       2.466   0.868   0.033  1.00  0.00           O  
HETATM   21  C   UNL     1       1.650   2.039  -0.045  1.00  0.00           C  
HETATM   22  C   UNL     1       2.524   3.283   0.130  1.00  0.00           C  
HETATM   23  C   UNL     1       1.685   4.561  -0.075  1.00  0.00           C  
HETATM   24  C   UNL     1       1.768   5.315   1.269  1.00  0.00           C  
HETATM   25  N   UNL     1       3.022   4.824   1.897  1.00  0.00           N  
HETATM   26  C   UNL     1       3.044   3.372   1.581  1.00  0.00           C  
HETATM   27  C   UNL     1       0.468  -0.376   0.129  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.197  -1.610   0.117  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.600  -1.690   0.234  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.618  -0.785   0.372  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.480   0.672   0.441  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.332   1.211   1.592  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.945   1.283  -0.857  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.905   2.654  -1.029  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.332   3.214  -2.218  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.798   2.403  -3.236  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.838   1.032  -3.064  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.405   0.471  -1.876  1.00  0.00           C  
HETATM   39  H   UNL     1       4.149  -0.226  -3.122  1.00  0.00           H  
HETATM   40  H   UNL     1       5.048  -1.709  -3.522  1.00  0.00           H  
HETATM   41  H   UNL     1       3.376  -1.817  -2.921  1.00  0.00           H  
HETATM   42  H   UNL     1       5.668  -1.574   2.770  1.00  0.00           H  
HETATM   43  H   UNL     1       4.117  -0.728   2.555  1.00  0.00           H  
HETATM   44  H   UNL     1       4.186  -2.503   2.443  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.837   0.713   1.880  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.571  -0.897   1.682  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.023  -0.360   3.288  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.874  -1.466   0.014  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.140   0.144   0.212  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.848  -5.072   0.032  1.00  0.00           H  
HETATM   51  H   UNL     1       2.517  -3.651  -0.247  1.00  0.00           H  
HETATM   52  H   UNL     1       1.158   2.075  -1.018  1.00  0.00           H  
HETATM   53  H   UNL     1       0.897   2.010   0.742  1.00  0.00           H  
HETATM   54  H   UNL     1       3.358   3.260  -0.572  1.00  0.00           H  
HETATM   55  H   UNL     1       2.109   5.167  -0.876  1.00  0.00           H  
HETATM   56  H   UNL     1       0.651   4.302  -0.303  1.00  0.00           H  
HETATM   57  H   UNL     1       1.825   6.390   1.099  1.00  0.00           H  
HETATM   58  H   UNL     1       0.908   5.075   1.894  1.00  0.00           H  
HETATM   59  H   UNL     1       3.010   4.976   2.895  1.00  0.00           H  
HETATM   60  H   UNL     1       2.384   2.826   2.255  1.00  0.00           H  
HETATM   61  H   UNL     1       4.060   2.985   1.645  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.096   0.540   0.233  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.435   0.930   0.610  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.043   2.240   1.806  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.384   1.180   1.311  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.174   0.598   2.479  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.541   3.287  -0.233  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.301   4.285  -2.352  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.132   2.840  -4.165  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.198   0.398  -3.861  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.437  -0.600  -1.742  1.00  0.00           H  
CONECT    1   28   13   12   12                                       
CONECT    2   15   16   16    3                                       
CONECT    3    2   39   40   41                                       
CONECT    4   18   42   43   44                                       
CONECT    5    6   45   46   47                                       
CONECT    6    5    7                                                 
CONECT    7    6    8   48   49                                       
CONECT    8   30    7    9    9                                       
CONECT    9    8    8   10                                            
CONECT   10   29    9   11   11                                       
CONECT   11   10   10   12   50                                       
CONECT   12    1    1   11                                            
CONECT   13   14   14    1   51                                       
CONECT   14   19   15   13   13                                       
CONECT   15   18   18   14    2                                       
CONECT   16   17    2    2                                            
CONECT   17   18   16                                                 
CONECT   18    4   17   15   15                                       
CONECT   19   20   27   27   14                                       
CONECT   20   21   19                                                 
CONECT   21   22   20   52   53                                       
CONECT   22   26   23   21   54                                       
CONECT   23   24   22   55   56                                       
CONECT   24   25   23   57   58                                       
CONECT   25   26   24   59                                            
CONECT   26   25   22   60   61                                       
CONECT   27   19   19   28   62                                       
CONECT   28   27   29   29    1                                       
CONECT   29   30   28   28   10                                       
CONECT   30   31    8   29                                            
CONECT   31   33   32   30   63                                       
CONECT   32   31   64   65   66                                       
CONECT   33   38   31   34   34                                       
CONECT   34   33   33   35   67                                       
CONECT   35   36   36   34   68                                       
CONECT   36   37   35   35   69                                       
CONECT   37   38   38   36   70                                       
CONECT   38   37   37   33   71                                       
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50   11                                                      
CONECT   51   13                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
