COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.692   1.579   0.721  1.00  0.00           N  
HETATM    2  C   UNL     1       4.526   0.209   0.217  1.00  0.00           C  
HETATM    3  C   UNL     1       3.177   0.076  -0.441  1.00  0.00           C  
HETATM    4  O   UNL     1       2.582   1.065  -0.812  1.00  0.00           O  
HETATM    5  C   UNL     1       5.623  -0.094  -0.805  1.00  0.00           C  
HETATM    6  C   UNL     1       6.966  -0.081  -0.120  1.00  0.00           C  
HETATM    7  C   UNL     1       7.474  -1.244   0.426  1.00  0.00           C  
HETATM    8  C   UNL     1       7.691   1.094  -0.043  1.00  0.00           C  
HETATM    9  C   UNL     1       8.705  -1.232   1.055  1.00  0.00           C  
HETATM   10  C   UNL     1       8.922   1.106   0.586  1.00  0.00           C  
HETATM   11  C   UNL     1       9.428  -0.057   1.137  1.00  0.00           C  
HETATM   12  N   UNL     1       2.630  -1.144  -0.615  1.00  0.00           N  
HETATM   13  C   UNL     1       1.327  -1.418  -1.239  1.00  0.00           C  
HETATM   14  C   UNL     1       0.234  -0.724  -0.468  1.00  0.00           C  
HETATM   15  O   UNL     1       0.509  -0.061   0.511  1.00  0.00           O  
HETATM   16  C   UNL     1       1.110  -2.945  -1.196  1.00  0.00           C  
HETATM   17  C   UNL     1       2.046  -3.397  -0.044  1.00  0.00           C  
HETATM   18  C   UNL     1       3.243  -2.425  -0.219  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.049  -0.839  -0.865  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.111  -0.164  -0.115  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.435  -0.899  -0.333  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.344  -2.303   0.268  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.668  -3.038   0.049  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.581  -4.382   0.625  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.653  -5.229   0.550  1.00  0.00           C  
HETATM   26  N   UNL     1      -6.775  -4.831  -0.046  1.00  0.00           N  
HETATM   27  N   UNL     1      -5.574  -6.451   1.074  1.00  0.00           N1+
HETATM   28  C   UNL     1      -2.241   1.258  -0.597  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.517   1.668  -1.480  1.00  0.00           O  
HETATM   30  N   UNL     1      -3.161   2.075  -0.047  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.287   3.457  -0.515  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.293   4.326   0.211  1.00  0.00           C  
HETATM   33  O   UNL     1      -1.819   3.956   1.265  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.704   3.963  -0.238  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.011   3.827   1.255  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.708   3.134  -1.042  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.369   4.464   1.557  1.00  0.00           C  
HETATM   38  N   UNL     1      -1.929   5.515  -0.310  1.00  0.00           N  
HETATM   39  H   UNL     1       5.562   1.677   1.223  1.00  0.00           H  
HETATM   40  H   UNL     1       4.629   2.251  -0.030  1.00  0.00           H  
HETATM   41  H   UNL     1       4.597  -0.494   1.046  1.00  0.00           H  
HETATM   42  H   UNL     1       5.450  -1.076  -1.245  1.00  0.00           H  
HETATM   43  H   UNL     1       5.609   0.663  -1.590  1.00  0.00           H  
HETATM   44  H   UNL     1       6.910  -2.163   0.363  1.00  0.00           H  
HETATM   45  H   UNL     1       7.296   2.001  -0.474  1.00  0.00           H  
HETATM   46  H   UNL     1       9.102  -2.141   1.483  1.00  0.00           H  
HETATM   47  H   UNL     1       9.489   2.023   0.646  1.00  0.00           H  
HETATM   48  H   UNL     1      10.390  -0.047   1.628  1.00  0.00           H  
HETATM   49  H   UNL     1       1.330  -1.070  -2.272  1.00  0.00           H  
HETATM   50  H   UNL     1       0.072  -3.181  -0.965  1.00  0.00           H  
HETATM   51  H   UNL     1       1.410  -3.403  -2.139  1.00  0.00           H  
HETATM   52  H   UNL     1       1.566  -3.261   0.925  1.00  0.00           H  
HETATM   53  H   UNL     1       2.362  -4.431  -0.180  1.00  0.00           H  
HETATM   54  H   UNL     1       3.914  -2.782  -1.000  1.00  0.00           H  
HETATM   55  H   UNL     1       3.780  -2.313   0.723  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.268  -1.368  -1.647  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.865  -0.167   0.947  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.241  -0.347   0.151  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.637  -0.974  -1.402  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.539  -2.854  -0.217  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.142  -2.228   1.336  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.474  -2.486   0.534  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.871  -3.112  -1.019  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.764  -4.672   1.060  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.833  -3.941  -0.428  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.535  -5.432  -0.100  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.334  -7.052   1.020  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.756  -6.741   1.508  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.740   1.747   0.659  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.090   3.497  -1.587  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.780   5.010  -0.530  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.037   2.771   1.526  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.236   4.331   1.833  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.631   2.087  -0.749  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.717   3.494  -0.845  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.489   3.231  -2.106  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.587   4.367   2.620  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.343   5.520   1.286  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.143   3.960   0.979  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.361   5.844  -1.114  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.236   6.041   0.118  1.00  0.00           H  
CONECT    1    2   39   40                                            
CONECT    2    1    3    5   41                                       
CONECT    3    2    4    4   12                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   42   43                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6    9   44                                       
CONECT    8    6   10   10   45                                       
CONECT    9    7   11   11   46                                       
CONECT   10    8    8   11   47                                       
CONECT   11    9    9   10   48                                       
CONECT   12   13   18    3                                            
CONECT   13   12   14   16   49                                       
CONECT   14   13   15   15   19                                       
CONECT   15   14   14                                                 
CONECT   16   13   17   50   51                                       
CONECT   17   16   18   52   53                                       
CONECT   18   12   17   54   55                                       
CONECT   19   20   56   14                                            
CONECT   20   19   21   28   57                                       
CONECT   21   20   22   58   59                                       
CONECT   22   21   23   60   61                                       
CONECT   23   22   24   62   63                                       
CONECT   24   23   25   64                                            
CONECT   25   24   26   27   27                                       
CONECT   26   25   65   66                                            
CONECT   27   25   25   67   68                                       
CONECT   28   20   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   31   69   28                                            
CONECT   31   30   32   34   70                                       
CONECT   32   31   33   33   38                                       
CONECT   33   32   32                                                 
CONECT   34   31   35   36   71                                       
CONECT   35   34   37   72   73                                       
CONECT   36   34   74   75   76                                       
CONECT   37   35   77   78   79                                       
CONECT   38   80   81   32                                            
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   13                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   38                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
