COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.356   1.093  -1.518  1.00  0.00           C  
HETATM    2  N   UNL     1       1.837   2.091   1.393  1.00  0.00           N  
HETATM    3  C   UNL     1       4.408   0.189  -1.556  1.00  0.00           C  
HETATM    4  C   UNL     1       3.450   1.127  -0.815  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.846   0.246  -0.556  1.00  0.00           C  
HETATM    6  C   UNL     1       3.191  -0.449   1.009  1.00  0.00           C  
HETATM    7  C   UNL     1       4.139  -1.452   0.343  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.370   2.707   1.618  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.232   1.645   0.442  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.615   0.114  -1.318  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.689  -0.719   0.035  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.200  -0.131  -0.788  1.00  0.00           C  
HETATM   13  C   UNL     1       1.518   1.134   0.528  1.00  0.00           C  
HETATM   14  C   UNL     1       0.174   0.951   0.187  1.00  0.00           C  
HETATM   15  C   UNL     1       0.903   2.856   1.921  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.690   1.008  -1.905  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.527   0.090  -1.347  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.044  -0.799  -0.372  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.767   1.773   0.760  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.510   0.342  -0.172  1.00  0.00           N  
HETATM   21  N   UNL     1       2.500   0.330  -0.027  1.00  0.00           N  
HETATM   22  N   UNL     1       5.022  -0.720  -0.577  1.00  0.00           N  
HETATM   23  C   UNL     1      -6.885  -1.757   0.221  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.385  -2.602   1.163  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.048  -2.533   1.551  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.211  -1.601   1.017  1.00  0.00           C  
HETATM   27  C   UNL     1       6.360  -0.878  -0.524  1.00  0.00           C  
HETATM   28  C   UNL     1       6.968  -1.814   0.488  1.00  0.00           C  
HETATM   29  O   UNL     1       7.074  -0.266  -1.290  1.00  0.00           O  
HETATM   30  C   UNL     1       8.491  -1.809   0.337  1.00  0.00           C  
HETATM   31  H   UNL     1      -3.714   1.833  -1.972  1.00  0.00           H  
HETATM   32  H   UNL     1       3.855  -0.390  -2.296  1.00  0.00           H  
HETATM   33  H   UNL     1       5.184   0.774  -2.050  1.00  0.00           H  
HETATM   34  H   UNL     1       4.018   1.777  -0.151  1.00  0.00           H  
HETATM   35  H   UNL     1       2.903   1.734  -1.538  1.00  0.00           H  
HETATM   36  H   UNL     1       2.457  -0.986   1.610  1.00  0.00           H  
HETATM   37  H   UNL     1       3.763   0.223   1.649  1.00  0.00           H  
HETATM   38  H   UNL     1       4.737  -1.952   1.105  1.00  0.00           H  
HETATM   39  H   UNL     1       3.559  -2.191  -0.211  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.810   1.740   1.361  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.522   2.436  -0.250  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.617   0.991  -1.964  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.952  -0.758  -1.878  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.163  -1.099  -0.288  1.00  0.00           H  
HETATM   45  H   UNL     1       0.504  -0.128  -1.620  1.00  0.00           H  
HETATM   46  H   UNL     1       1.189   3.625   2.622  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.068   1.682  -2.659  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.560   0.040  -1.660  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.924  -1.821  -0.069  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.033  -3.337   1.617  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.676  -3.215   2.301  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.181  -1.551   1.335  1.00  0.00           H  
HETATM   53  H   UNL     1       6.702  -1.487   1.493  1.00  0.00           H  
HETATM   54  H   UNL     1       6.590  -2.823   0.323  1.00  0.00           H  
HETATM   55  H   UNL     1       8.757  -2.137  -0.668  1.00  0.00           H  
HETATM   56  H   UNL     1       8.869  -0.800   0.502  1.00  0.00           H  
HETATM   57  H   UNL     1       8.931  -2.486   1.069  1.00  0.00           H  
CONECT    1   16   16    5   31                                       
CONECT    2   13   13   15                                            
CONECT    3    4   22   32   33                                       
CONECT    4    3   21   34   35                                       
CONECT    5    1   20   11   11                                       
CONECT    6   21    7   36   37                                       
CONECT    7    6   22   38   39                                       
CONECT    8   19   15   15                                            
CONECT    9   20   19   40   41                                       
CONECT   10   20   12   42   43                                       
CONECT   11    5    5   18   26                                       
CONECT   12   10   14   44   45                                       
CONECT   13   14   21    2    2                                       
CONECT   14   12   19   19   13                                       
CONECT   15    8    8    2   46                                       
CONECT   16    1    1   17   47                                       
CONECT   17   16   18   18   48                                       
CONECT   18   17   17   11   23                                       
CONECT   19    9   14   14    8                                       
CONECT   20   10    5    9                                            
CONECT   21    4   13    6                                            
CONECT   22    3   27    7                                            
CONECT   23   18   24   24   49                                       
CONECT   24   23   23   25   50                                       
CONECT   25   26   26   24   51                                       
CONECT   26   11   25   25   52                                       
CONECT   27   22   28   29   29                                       
CONECT   28   27   30   53   54                                       
CONECT   29   27   27                                                 
CONECT   30   28   55   56   57                                       
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   30                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
