COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1       2.889   4.251   0.548  1.00  0.00           O  
HETATM    2  C   UNL     1       2.124   4.937  -0.103  1.00  0.00           C  
HETATM    3  N   UNL     1       2.463   5.503  -1.268  1.00  0.00           N  
HETATM    4  C   UNL     1       1.314   6.259  -1.790  1.00  0.00           C  
HETATM    5  C   UNL     1       0.219   6.047  -0.726  1.00  0.00           C  
HETATM    6  N   UNL     1       0.865   5.189   0.278  1.00  0.00           N  
HETATM    7  C   UNL     1       0.235   4.696   1.505  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.577   3.438   1.192  1.00  0.00           C  
HETATM    9  O   UNL     1       0.306   2.389   0.790  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.265   1.233   0.363  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.637   1.151   0.211  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.218  -0.030  -0.230  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.609  -0.110  -0.384  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.314  -1.227  -0.714  1.00  0.00           C  
HETATM   15  N   UNL     1      -4.443   0.859  -0.231  1.00  0.00           N  
HETATM   16  N   UNL     1      -5.643   0.450  -0.445  1.00  0.00           N1+
HETATM   17  C   UNL     1      -6.849   1.278  -0.366  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.614  -0.852  -0.751  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.796  -1.729  -1.074  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.255  -2.454   0.192  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.455  -3.344  -0.136  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.914  -4.069   1.130  1.00  0.00           C  
HETATM   23  N   UNL     1     -10.066  -4.924   0.815  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.425  -1.134  -0.521  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.056  -1.063  -0.372  1.00  0.00           C  
HETATM   26  C   UNL     1       0.536   0.120   0.071  1.00  0.00           C  
HETATM   27  C   UNL     1       2.003   0.202   0.226  1.00  0.00           C  
HETATM   28  N   UNL     1       2.852  -0.726  -0.114  1.00  0.00           N  
HETATM   29  S   UNL     1       2.886   1.573   0.893  1.00  0.00           S  
HETATM   30  C   UNL     1       4.403   0.711   0.642  1.00  0.00           C  
HETATM   31  C   UNL     1       4.124  -0.477   0.099  1.00  0.00           C  
HETATM   32  C   UNL     1       5.203  -1.470  -0.250  1.00  0.00           C  
HETATM   33  C   UNL     1       4.905  -2.807   0.432  1.00  0.00           C  
HETATM   34  C   UNL     1       5.984  -3.800   0.083  1.00  0.00           C  
HETATM   35  C   UNL     1       7.109  -3.908   0.879  1.00  0.00           C  
HETATM   36  C   UNL     1       8.098  -4.818   0.559  1.00  0.00           C  
HETATM   37  C   UNL     1       7.963  -5.622  -0.558  1.00  0.00           C  
HETATM   38  C   UNL     1       6.838  -5.514  -1.355  1.00  0.00           C  
HETATM   39  C   UNL     1       5.846  -4.607  -1.031  1.00  0.00           C  
HETATM   40  H   UNL     1       1.561   7.317  -1.878  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.077   6.999  -0.287  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.643   5.542  -1.161  1.00  0.00           H  
HETATM   43  H   UNL     1       1.005   4.458   2.239  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.426   5.464   1.908  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.127   3.130   2.081  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.280   3.651   0.386  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.257   2.007   0.435  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.916  -2.212  -0.907  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.246   1.247   0.650  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.602   2.306  -0.627  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.598   0.896  -1.059  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.611  -1.113  -1.456  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.440  -3.069   0.574  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.270  -2.729  -0.518  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.168  -4.076  -0.891  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.099  -4.685   1.512  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.200  -3.337   1.885  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.388  -5.414   1.636  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.812  -4.386   0.399  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.882  -2.051  -0.863  1.00  0.00           H  
HETATM   61  H   UNL     1       0.557  -1.922  -0.599  1.00  0.00           H  
HETATM   62  H   UNL     1       5.388   1.082   0.883  1.00  0.00           H  
HETATM   63  H   UNL     1       5.230  -1.612  -1.331  1.00  0.00           H  
HETATM   64  H   UNL     1       6.167  -1.095   0.092  1.00  0.00           H  
HETATM   65  H   UNL     1       4.878  -2.666   1.512  1.00  0.00           H  
HETATM   66  H   UNL     1       3.941  -3.183   0.090  1.00  0.00           H  
HETATM   67  H   UNL     1       7.214  -3.280   1.752  1.00  0.00           H  
HETATM   68  H   UNL     1       8.977  -4.902   1.181  1.00  0.00           H  
HETATM   69  H   UNL     1       8.736  -6.333  -0.809  1.00  0.00           H  
HETATM   70  H   UNL     1       6.733  -6.141  -2.228  1.00  0.00           H  
HETATM   71  H   UNL     1       4.967  -4.523  -1.654  1.00  0.00           H  
HETATM   72  H   UNL     1       3.328   5.427  -1.700  1.00  0.00           H  
HETATM   73  H   UNL     1       0.998   5.859  -2.753  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.509  -2.461  -1.829  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.541  -1.721   0.947  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    6    1    1    3                                       
CONECT    3    2    4   72                                            
CONECT    4    5    3   40   73                                       
CONECT    5    6    4   41   42                                       
CONECT    6    7    5    2                                            
CONECT    7    8    6   43   44                                       
CONECT    8    9    7   45   46                                       
CONECT    9   10    8                                                 
CONECT   10   11   11   26    9                                       
CONECT   11   12   10   10   47                                       
CONECT   12   13   24   24   11                                       
CONECT   13   15   14   12                                            
CONECT   14   18   18   13   48                                       
CONECT   15   16   16   13                                            
CONECT   16   17   18   15   15                                       
CONECT   17   16   49   50   51                                       
CONECT   18   19   16   14   14                                       
CONECT   19   20   18   52   74                                       
CONECT   20   21   19   53   75                                       
CONECT   21   22   20   54   55                                       
CONECT   22   23   21   56   57                                       
CONECT   23   22   58   59                                            
CONECT   24   12   12   25   60                                       
CONECT   25   24   26   26   61                                       
CONECT   26   25   25   10   27                                       
CONECT   27   26   28   28   29                                       
CONECT   28   27   27   31                                            
CONECT   29   27   30                                                 
CONECT   30   29   31   31   62                                       
CONECT   31   28   30   30   32                                       
CONECT   32   31   33   63   64                                       
CONECT   33   32   34   65   66                                       
CONECT   34   39   33   35   35                                       
CONECT   35   34   34   36   67                                       
CONECT   36   37   37   35   68                                       
CONECT   37   38   36   36   69                                       
CONECT   38   39   39   37   70                                       
CONECT   39   38   38   34   71                                       
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47   11                                                      
CONECT   48   14                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   30                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   33                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   38                                                      
CONECT   71   39                                                      
CONECT   72    3                                                      
CONECT   73    4                                                      
CONECT   74   19                                                      
CONECT   75   20                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
