COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.138  -3.270  -1.456  1.00  0.00           O  
HETATM    2  C   UNL     1       0.399  -3.049  -0.292  1.00  0.00           C  
HETATM    3  N   UNL     1       0.204  -4.006   0.636  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.324  -5.314   0.239  1.00  0.00           C  
HETATM    5  C   UNL     1       0.827  -6.208  -0.229  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.023  -5.966   1.434  1.00  0.00           C  
HETATM    7  C   UNL     1       0.948  -1.706   0.115  1.00  0.00           C  
HETATM    8  C   UNL     1       0.034  -1.075   1.082  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.670  -0.589   1.829  1.00  0.00           N  
HETATM   10  C   UNL     1       1.078  -0.812  -1.120  1.00  0.00           C  
HETATM   11  C   UNL     1       1.740   0.486  -0.734  1.00  0.00           C  
HETATM   12  N   UNL     1       3.088   0.720  -0.754  1.00  0.00           N  
HETATM   13  C   UNL     1       4.102  -0.258  -1.157  1.00  0.00           C  
HETATM   14  C   UNL     1       4.555  -1.056   0.067  1.00  0.00           C  
HETATM   15  O   UNL     1       5.544  -2.010  -0.325  1.00  0.00           O  
HETATM   16  C   UNL     1       6.037  -2.812   0.749  1.00  0.00           C  
HETATM   17  C   UNL     1       3.354   1.999  -0.345  1.00  0.00           C  
HETATM   18  N   UNL     1       4.470   2.709  -0.189  1.00  0.00           N  
HETATM   19  C   UNL     1       4.420   3.955   0.232  1.00  0.00           C  
HETATM   20  N   UNL     1       3.286   4.565   0.520  1.00  0.00           N  
HETATM   21  C   UNL     1       1.090   1.601  -0.319  1.00  0.00           C  
HETATM   22  C   UNL     1       2.122   2.610  -0.050  1.00  0.00           C  
HETATM   23  C   UNL     1       2.119   3.938   0.395  1.00  0.00           C  
HETATM   24  N   UNL     1       0.932   4.581   0.697  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.375   1.768  -0.164  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.924   1.982   1.100  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.287   2.137   1.241  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.112   2.080   0.126  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.569   1.865  -1.134  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.206   1.716  -1.282  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.455   2.233   0.268  1.00  0.00           O  
HETATM   32  C   UNL     1      -5.250   1.159   0.019  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.630   1.299   0.026  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.436   0.206  -0.228  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.867  -1.027  -0.489  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.492  -1.170  -0.498  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.682  -0.079  -0.249  1.00  0.00           C  
HETATM   38  H   UNL     1       0.413  -3.830   1.566  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.038  -5.186  -0.574  1.00  0.00           H  
HETATM   40  H   UNL     1       1.541  -6.336   0.584  1.00  0.00           H  
HETATM   41  H   UNL     1       0.434  -7.181  -0.524  1.00  0.00           H  
HETATM   42  H   UNL     1       1.324  -5.743  -1.080  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.308  -6.094   2.247  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.842  -5.330   1.767  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.415  -6.939   1.139  1.00  0.00           H  
HETATM   46  H   UNL     1       1.928  -1.837   0.573  1.00  0.00           H  
HETATM   47  H   UNL     1       1.682  -1.318  -1.873  1.00  0.00           H  
HETATM   48  H   UNL     1       0.087  -0.608  -1.527  1.00  0.00           H  
HETATM   49  H   UNL     1       3.678  -0.937  -1.897  1.00  0.00           H  
HETATM   50  H   UNL     1       4.957   0.262  -1.589  1.00  0.00           H  
HETATM   51  H   UNL     1       4.979  -0.377   0.807  1.00  0.00           H  
HETATM   52  H   UNL     1       3.700  -1.576   0.499  1.00  0.00           H  
HETATM   53  H   UNL     1       5.212  -3.369   1.195  1.00  0.00           H  
HETATM   54  H   UNL     1       6.783  -3.510   0.370  1.00  0.00           H  
HETATM   55  H   UNL     1       6.491  -2.170   1.504  1.00  0.00           H  
HETATM   56  H   UNL     1       5.346   4.500   0.347  1.00  0.00           H  
HETATM   57  H   UNL     1       0.944   5.501   1.004  1.00  0.00           H  
HETATM   58  H   UNL     1       0.088   4.112   0.602  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.282   2.027   1.967  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.713   2.303   2.219  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.214   1.821  -1.999  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.784   1.549  -2.262  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.075   2.262   0.231  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.510   0.314  -0.221  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.498  -1.881  -0.688  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.050  -2.133  -0.706  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.608  -0.190  -0.256  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1    7                                       
CONECT    3    4    2   38                                            
CONECT    4    6    5    3   39                                       
CONECT    5    4   40   41   42                                       
CONECT    6    4   43   44   45                                       
CONECT    7    2    8   10   46                                       
CONECT    8    7    9    9    9                                       
CONECT    9    8    8    8                                            
CONECT   10    7   11   47   48                                       
CONECT   11   12   10   21   21                                       
CONECT   12   13   17   11                                            
CONECT   13   14   12   49   50                                       
CONECT   14   15   13   51   52                                       
CONECT   15   14   16                                                 
CONECT   16   15   53   54   55                                       
CONECT   17   12   18   18   22                                       
CONECT   18   17   17   19                                            
CONECT   19   18   20   20   56                                       
CONECT   20   19   19   23                                            
CONECT   21   11   11   22   25                                       
CONECT   22   17   21   23   23                                       
CONECT   23   22   22   20   24                                       
CONECT   24   23   57   58                                            
CONECT   25   21   30   26   26                                       
CONECT   26   25   25   27   59                                       
CONECT   27   28   28   26   60                                       
CONECT   28   29   27   27   31                                       
CONECT   29   30   30   28   61                                       
CONECT   30   29   29   25   62                                       
CONECT   31   28   32                                                 
CONECT   32   37   31   33   33                                       
CONECT   33   32   32   34   63                                       
CONECT   34   35   35   33   64                                       
CONECT   35   36   34   34   65                                       
CONECT   36   37   37   35   66                                       
CONECT   37   36   36   32   67                                       
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   19                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   36                                                      
CONECT   67   37                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
