COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       1.286   0.372   8.755  1.00  0.00           C  
HETATM    2  N   UNL     1       0.375   0.396   9.688  1.00  0.00           N  
HETATM    3  N   UNL     1       2.616   0.454   9.091  1.00  0.00           N  
HETATM    4  N   UNL     1       0.915   0.264   7.436  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.502   0.177   7.078  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.637   0.067   5.581  1.00  0.00           C  
HETATM    7  O   UNL     1       0.353   0.063   4.882  1.00  0.00           O  
HETATM    8  N   UNL     1      -1.859  -0.025   5.020  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.985  -0.127   3.622  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.931  -0.144   2.696  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.495  -0.255   1.443  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.861  -0.299   1.601  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.843  -0.414   0.520  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.148  -0.226   2.927  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.770  -0.310   0.169  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.384  -0.311  -0.881  1.00  0.00           O  
HETATM   17  N   UNL     1       0.576  -0.360   0.163  1.00  0.00           N  
HETATM   18  C   UNL     1       1.276  -0.295  -1.055  1.00  0.00           C  
HETATM   19  C   UNL     1       0.707  -0.177  -2.330  1.00  0.00           C  
HETATM   20  C   UNL     1       1.745  -0.142  -3.237  1.00  0.00           C  
HETATM   21  N   UNL     1       2.921  -0.245  -2.529  1.00  0.00           N  
HETATM   22  C   UNL     1       4.267  -0.251  -3.107  1.00  0.00           C  
HETATM   23  C   UNL     1       2.627  -0.334  -1.206  1.00  0.00           C  
HETATM   24  C   UNL     1       1.619  -0.025  -4.693  1.00  0.00           C  
HETATM   25  O   UNL     1       2.608  -0.103  -5.398  1.00  0.00           O  
HETATM   26  N   UNL     1       0.408   0.168  -5.252  1.00  0.00           N  
HETATM   27  C   UNL     1       0.265   0.174  -6.710  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.199   0.412  -7.078  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.346   0.418  -8.578  1.00  0.00           C  
HETATM   30  N   UNL     1      -0.309   0.237  -9.330  1.00  0.00           N  
HETATM   31  N   UNL     1      -2.577   0.615  -9.145  1.00  0.00           N  
HETATM   32  H   UNL     1       0.637   0.472  10.619  1.00  0.00           H  
HETATM   33  H   UNL     1       2.878   0.530  10.022  1.00  0.00           H  
HETATM   34  H   UNL     1       3.293   0.436   8.397  1.00  0.00           H  
HETATM   35  H   UNL     1       1.592   0.246   6.742  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.021   1.071   7.425  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.942  -0.702   7.548  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.651  -0.021   5.579  1.00  0.00           H  
HETATM   39  H   UNL     1       0.122  -0.082   2.922  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.194   0.578   0.240  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.379  -0.893  -0.341  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.687  -1.016   0.859  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.139  -0.241   3.358  1.00  0.00           H  
HETATM   44  H   UNL     1       1.063  -0.441   0.998  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.346  -0.121  -2.560  1.00  0.00           H  
HETATM   46  H   UNL     1       4.595  -1.280  -3.254  1.00  0.00           H  
HETATM   47  H   UNL     1       4.253   0.266  -4.066  1.00  0.00           H  
HETATM   48  H   UNL     1       4.955   0.255  -2.430  1.00  0.00           H  
HETATM   49  H   UNL     1       3.347  -0.422  -0.406  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.369   0.303  -4.688  1.00  0.00           H  
HETATM   51  H   UNL     1       0.880   0.969  -7.131  1.00  0.00           H  
HETATM   52  H   UNL     1       0.589  -0.786  -7.110  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.814  -0.382  -6.656  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.523   1.373  -6.678  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.403   0.241 -10.295  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.671   0.619 -10.111  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.355   0.751  -8.582  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1   32                                            
CONECT    3    1   33   34                                            
CONECT    4    1    5   35                                            
CONECT    5    4    6   36   37                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   38                                            
CONECT    9    8   10   14   14                                       
CONECT   10    9   11   11   39                                       
CONECT   11   10   10   12   15                                       
CONECT   12   11   13   14                                            
CONECT   13   12   40   41   42                                       
CONECT   14    9    9   12   43                                       
CONECT   15   11   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   44                                            
CONECT   18   17   19   23   23                                       
CONECT   19   18   20   20   45                                       
CONECT   20   19   19   21   24                                       
CONECT   21   20   22   23                                            
CONECT   22   21   46   47   48                                       
CONECT   23   18   18   21   49                                       
CONECT   24   20   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   50                                            
CONECT   27   26   28   51   52                                       
CONECT   28   27   29   53   54                                       
CONECT   29   28   30   30   31                                       
CONECT   30   29   29   55                                            
CONECT   31   29   56   57                                            
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    8                                                      
CONECT   39   10                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
CONECT   57   31                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
