COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.758  -3.612   0.706  1.00  0.00           C  
HETATM    2  C   UNL     1       2.256  -2.387   0.224  1.00  0.00           C  
HETATM    3  C   UNL     1       3.635  -2.256   0.015  1.00  0.00           C  
HETATM    4  N   UNL     1       4.416  -3.297   0.282  1.00  0.00           N  
HETATM    5  N   UNL     1       2.621  -4.600   0.940  1.00  0.00           N  
HETATM    6  C   UNL     1      -5.434   0.931  -0.234  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.876   1.436  -0.147  1.00  0.00           C  
HETATM    8  N   UNL     1      -7.773   0.458  -0.779  1.00  0.00           N  
HETATM    9  C   UNL     1      -9.160   0.943  -0.783  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.674  -0.849  -0.116  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.232  -1.354  -0.203  1.00  0.00           C  
HETATM   12  N   UNL     1      -5.335  -0.377   0.429  1.00  0.00           N  
HETATM   13  C   UNL     1      -4.017  -0.837   0.433  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.011  -0.055   0.989  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.709  -0.506   0.993  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.715  -2.080  -0.114  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.416  -2.537  -0.113  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.401  -1.751   0.439  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.007  -2.237   0.442  1.00  0.00           C  
HETATM   20  N   UNL     1       0.399  -3.494   0.827  1.00  0.00           N  
HETATM   21  C   UNL     1       3.909  -4.430   0.734  1.00  0.00           C  
HETATM   22  O   UNL     1       4.159  -1.096  -0.448  1.00  0.00           O  
HETATM   23  C   UNL     1       5.575  -1.052  -0.632  1.00  0.00           C  
HETATM   24  C   UNL     1       5.979   0.327  -1.157  1.00  0.00           C  
HETATM   25  C   UNL     1       5.675   1.386  -0.095  1.00  0.00           C  
HETATM   26  C   UNL     1       7.476   0.336  -1.471  1.00  0.00           C  
HETATM   27  C   UNL     1       1.097  -1.504   0.057  1.00  0.00           C  
HETATM   28  C   UNL     1       1.109  -0.106  -0.428  1.00  0.00           C  
HETATM   29  C   UNL     1       1.724   0.891   0.329  1.00  0.00           C  
HETATM   30  C   UNL     1       0.511   0.219  -1.646  1.00  0.00           C  
HETATM   31  C   UNL     1       0.523   1.523  -2.096  1.00  0.00           C  
HETATM   32  C   UNL     1       1.128   2.512  -1.343  1.00  0.00           C  
HETATM   33  C   UNL     1       1.736   2.198  -0.134  1.00  0.00           C  
HETATM   34  N   UNL     1       2.347   3.203   0.625  1.00  0.00           N  
HETATM   35  C   UNL     1       1.816   4.441   0.655  1.00  0.00           C  
HETATM   36  O   UNL     1       0.859   4.708  -0.042  1.00  0.00           O  
HETATM   37  C   UNL     1       2.409   5.494   1.554  1.00  0.00           C  
HETATM   38  C   UNL     1       1.626   6.799   1.399  1.00  0.00           C  
HETATM   39  H   UNL     1      -5.146   0.830  -1.281  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.770   1.640   0.259  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.155   1.562   0.899  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.958   2.392  -0.663  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.216   1.879  -1.338  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.803   0.201  -1.256  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.490   1.109   0.243  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.962  -0.749   0.931  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.339  -1.558  -0.609  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.150  -2.310   0.314  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.954  -1.481  -1.249  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.250   0.908   1.417  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.928   0.103   1.424  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.500  -2.687  -0.540  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.181  -3.501  -0.539  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.193  -4.196   1.140  1.00  0.00           H  
HETATM   55  H   UNL     1       4.579  -5.252   0.938  1.00  0.00           H  
HETATM   56  H   UNL     1       6.071  -1.237   0.321  1.00  0.00           H  
HETATM   57  H   UNL     1       5.873  -1.816  -1.350  1.00  0.00           H  
HETATM   58  H   UNL     1       5.416   0.550  -2.063  1.00  0.00           H  
HETATM   59  H   UNL     1       5.962   2.369  -0.469  1.00  0.00           H  
HETATM   60  H   UNL     1       4.608   1.380   0.129  1.00  0.00           H  
HETATM   61  H   UNL     1       6.238   1.164   0.812  1.00  0.00           H  
HETATM   62  H   UNL     1       7.693  -0.419  -2.228  1.00  0.00           H  
HETATM   63  H   UNL     1       7.763   1.318  -1.845  1.00  0.00           H  
HETATM   64  H   UNL     1       8.039   0.113  -0.565  1.00  0.00           H  
HETATM   65  H   UNL     1       2.188   0.646   1.273  1.00  0.00           H  
HETATM   66  H   UNL     1       0.038  -0.552  -2.237  1.00  0.00           H  
HETATM   67  H   UNL     1       0.060   1.772  -3.039  1.00  0.00           H  
HETATM   68  H   UNL     1       1.135   3.532  -1.700  1.00  0.00           H  
HETATM   69  H   UNL     1       3.152   3.009   1.129  1.00  0.00           H  
HETATM   70  H   UNL     1       2.356   5.160   2.590  1.00  0.00           H  
HETATM   71  H   UNL     1       3.451   5.661   1.280  1.00  0.00           H  
HETATM   72  H   UNL     1       1.679   7.134   0.363  1.00  0.00           H  
HETATM   73  H   UNL     1       0.584   6.632   1.673  1.00  0.00           H  
HETATM   74  H   UNL     1       2.055   7.561   2.049  1.00  0.00           H  
CONECT    1    2    2    5   20                                       
CONECT    2    3    1    1   27                                       
CONECT    3   22    4    4    2                                       
CONECT    4    3    3   21                                            
CONECT    5   21   21    1                                            
CONECT    6   12    7   39   40                                       
CONECT    7    6    8   41   42                                       
CONECT    8   10    7    9                                            
CONECT    9    8   43   44   45                                       
CONECT   10   11    8   46   47                                       
CONECT   11   12   10   48   49                                       
CONECT   12   13   11    6                                            
CONECT   13   16   16   14   12                                       
CONECT   14   15   15   13   50                                       
CONECT   15   18   14   14   51                                       
CONECT   16   17   13   13   52                                       
CONECT   17   18   18   16   53                                       
CONECT   18   19   17   17   15                                       
CONECT   19   27   27   20   18                                       
CONECT   20    1   19   54                                            
CONECT   21    4    5    5   55                                       
CONECT   22   23    3                                                 
CONECT   23   24   22   56   57                                       
CONECT   24   25   26   23   58                                       
CONECT   25   24   59   60   61                                       
CONECT   26   24   62   63   64                                       
CONECT   27    2   28   19   19                                       
CONECT   28   29   29   30   27                                       
CONECT   29   33   28   28   65                                       
CONECT   30   31   31   28   66                                       
CONECT   31   32   30   30   67                                       
CONECT   32   33   33   31   68                                       
CONECT   33   34   32   32   29                                       
CONECT   34   33   35   69                                            
CONECT   35   34   37   36   36                                       
CONECT   36   35   35                                                 
CONECT   37   38   35   70   71                                       
CONECT   38   37   72   73   74                                       
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   34                                                      
CONECT   70   37                                                      
CONECT   71   37                                                      
CONECT   72   38                                                      
CONECT   73   38                                                      
CONECT   74   38                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
