COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.651  -2.732  -0.311  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.899  -1.779  -0.379  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.680  -1.935   0.116  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.376  -3.238   0.714  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.655  -0.988   0.127  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.347  -1.380  -0.113  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.379  -0.476  -0.048  1.00  0.00           N  
HETATM    8  C   UNL     1      -5.422  -0.561  -1.009  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.262  -0.659  -2.123  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.792   0.479  -2.690  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.497   1.726  -2.164  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.653   1.842  -1.078  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.102   0.705  -0.500  1.00  0.00           C  
HETATM   14  N   UNL     1      -4.204   0.831   0.555  1.00  0.00           N  
HETATM   15  C   UNL     1      -4.618   1.449   1.817  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.907   0.360   0.389  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.883   1.205   0.462  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.645   0.786   0.247  1.00  0.00           C  
HETATM   19  N   UNL     1       0.399   1.694   0.334  1.00  0.00           N  
HETATM   20  C   UNL     1       1.724   1.251   0.225  1.00  0.00           C  
HETATM   21  C   UNL     1       2.680   2.064  -0.370  1.00  0.00           C  
HETATM   22  C   UNL     1       3.987   1.629  -0.478  1.00  0.00           C  
HETATM   23  C   UNL     1       2.080   0.002   0.716  1.00  0.00           C  
HETATM   24  C   UNL     1       3.389  -0.435   0.608  1.00  0.00           C  
HETATM   25  C   UNL     1       4.346   0.380   0.006  1.00  0.00           C  
HETATM   26  N   UNL     1       5.673  -0.061  -0.105  1.00  0.00           N  
HETATM   27  C   UNL     1       6.062  -0.211  -1.514  1.00  0.00           C  
HETATM   28  C   UNL     1       7.486  -0.768  -1.591  1.00  0.00           C  
HETATM   29  C   UNL     1       6.590   0.847   0.598  1.00  0.00           C  
HETATM   30  C   UNL     1       8.014   0.290   0.521  1.00  0.00           C  
HETATM   31  N   UNL     1       8.403   0.140  -0.888  1.00  0.00           N  
HETATM   32  C   UNL     1       9.792  -0.322  -1.004  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.452   0.442   2.957  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.750   2.678   2.092  1.00  0.00           C  
HETATM   35  O   UNL     1       3.741  -1.657   1.088  1.00  0.00           O  
HETATM   36  C   UNL     1       2.708  -2.438   1.693  1.00  0.00           C  
HETATM   37  H   UNL     1      -4.251  -3.883   0.642  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.542  -3.696   0.182  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.108  -3.103   1.762  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.119  -2.409  -0.351  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.496  -1.628  -2.539  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.441   0.399  -3.550  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.930   2.612  -2.605  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.419   2.817  -0.678  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.663   1.751   1.748  1.00  0.00           H  
HETATM   46  H   UNL     1       0.213   2.636   0.470  1.00  0.00           H  
HETATM   47  H   UNL     1       2.402   3.036  -0.747  1.00  0.00           H  
HETATM   48  H   UNL     1       4.730   2.262  -0.941  1.00  0.00           H  
HETATM   49  H   UNL     1       1.337  -0.627   1.182  1.00  0.00           H  
HETATM   50  H   UNL     1       5.376  -0.898  -2.010  1.00  0.00           H  
HETATM   51  H   UNL     1       6.024   0.760  -2.007  1.00  0.00           H  
HETATM   52  H   UNL     1       7.517  -1.752  -1.122  1.00  0.00           H  
HETATM   53  H   UNL     1       7.787  -0.853  -2.635  1.00  0.00           H  
HETATM   54  H   UNL     1       6.558   1.830   0.128  1.00  0.00           H  
HETATM   55  H   UNL     1       6.289   0.932   1.642  1.00  0.00           H  
HETATM   56  H   UNL     1       8.700   0.977   1.016  1.00  0.00           H  
HETATM   57  H   UNL     1       8.051  -0.681   1.014  1.00  0.00           H  
HETATM   58  H   UNL     1      10.076  -0.360  -2.056  1.00  0.00           H  
HETATM   59  H   UNL     1      10.450   0.368  -0.476  1.00  0.00           H  
HETATM   60  H   UNL     1       9.883  -1.316  -0.567  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.406   0.140   3.025  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.759   0.902   3.896  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.070  -0.433   2.761  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.704   2.377   2.160  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.868   3.396   1.280  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.057   3.138   3.031  1.00  0.00           H  
HETATM   67  H   UNL     1       3.122  -3.388   2.033  1.00  0.00           H  
HETATM   68  H   UNL     1       2.294  -1.897   2.544  1.00  0.00           H  
HETATM   69  H   UNL     1       1.920  -2.626   0.963  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    8    1    1    3                                       
CONECT    3    2    5    4                                            
CONECT    4    3   37   38   39                                       
CONECT    5   16    3    6    6                                       
CONECT    6    5    5    7   40                                       
CONECT    7   18   18    6                                            
CONECT    8   13   13    9    2                                       
CONECT    9   10   10    8   41                                       
CONECT   10   11    9    9   42                                       
CONECT   11   12   12   10   43                                       
CONECT   12   11   11   13   44                                       
CONECT   13   12   14    8    8                                       
CONECT   14   15   13   16                                            
CONECT   15   34   33   14   45                                       
CONECT   16   14   17   17    5                                       
CONECT   17   16   16   18                                            
CONECT   18   17   19    7    7                                       
CONECT   19   18   20   46                                            
CONECT   20   19   23   23   21                                       
CONECT   21   20   22   22   47                                       
CONECT   22   21   21   25   48                                       
CONECT   23   20   20   24   49                                       
CONECT   24   23   35   25   25                                       
CONECT   25   24   24   22   26                                       
CONECT   26   25   29   27                                            
CONECT   27   26   28   50   51                                       
CONECT   28   27   31   52   53                                       
CONECT   29   26   30   54   55                                       
CONECT   30   29   31   56   57                                       
CONECT   31   30   28   32                                            
CONECT   32   31   58   59   60                                       
CONECT   33   15   61   62   63                                       
CONECT   34   15   64   65   66                                       
CONECT   35   36   24                                                 
CONECT   36   35   67   68   69                                       
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    6                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   15                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   30                                                      
CONECT   58   32                                                      
CONECT   59   32                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
CONECT   62   33                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   36                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
