COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.651   2.236  -0.544  1.00  0.00           C  
HETATM    2  C   UNL     1       7.250   1.960  -1.129  1.00  0.00           C  
HETATM    3  N   UNL     1       6.614   0.945  -0.277  1.00  0.00           N  
HETATM    4  C   UNL     1       7.559   0.561   0.787  1.00  0.00           C  
HETATM    5  C   UNL     1       8.509   1.776   0.930  1.00  0.00           C  
HETATM    6  C   UNL     1       5.372   0.448  -0.442  1.00  0.00           C  
HETATM    7  O   UNL     1       4.678   0.839  -1.356  1.00  0.00           O  
HETATM    8  C   UNL     1       4.845  -0.594   0.511  1.00  0.00           C  
HETATM    9  N   UNL     1       3.479  -0.970   0.120  1.00  0.00           N  
HETATM   10  C   UNL     1       3.020  -2.145   0.873  1.00  0.00           C  
HETATM   11  C   UNL     1       1.629  -2.551   0.382  1.00  0.00           C  
HETATM   12  N   UNL     1       0.703  -1.424   0.555  1.00  0.00           N  
HETATM   13  C   UNL     1       1.162  -0.248  -0.199  1.00  0.00           C  
HETATM   14  C   UNL     1       2.553   0.158   0.293  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.586  -1.778   0.185  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.625  -0.854   0.271  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.903  -1.261  -0.113  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.079  -2.512  -0.545  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.069  -3.353  -0.610  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.847  -3.004  -0.261  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.042  -0.324  -0.042  1.00  0.00           C  
HETATM   22  S   UNL     1      -3.925   1.337   0.508  1.00  0.00           S  
HETATM   23  C   UNL     1      -5.644   1.615   0.254  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.246   0.451  -0.235  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.291  -0.629  -0.394  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.418   2.761   0.463  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.765   2.745   0.190  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.366   1.591  -0.296  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.633   0.465  -0.507  1.00  0.00           C  
HETATM   30  H   UNL     1       9.408   1.645  -1.061  1.00  0.00           H  
HETATM   31  H   UNL     1       8.888   3.299  -0.596  1.00  0.00           H  
HETATM   32  H   UNL     1       6.658   2.875  -1.120  1.00  0.00           H  
HETATM   33  H   UNL     1       7.340   1.585  -2.148  1.00  0.00           H  
HETATM   34  H   UNL     1       7.026   0.384   1.722  1.00  0.00           H  
HETATM   35  H   UNL     1       8.119  -0.327   0.495  1.00  0.00           H  
HETATM   36  H   UNL     1       9.473   1.472   1.339  1.00  0.00           H  
HETATM   37  H   UNL     1       8.056   2.557   1.541  1.00  0.00           H  
HETATM   38  H   UNL     1       5.487  -1.474   0.479  1.00  0.00           H  
HETATM   39  H   UNL     1       4.834  -0.189   1.523  1.00  0.00           H  
HETATM   40  H   UNL     1       3.716  -2.970   0.719  1.00  0.00           H  
HETATM   41  H   UNL     1       2.974  -1.901   1.935  1.00  0.00           H  
HETATM   42  H   UNL     1       1.681  -2.821  -0.673  1.00  0.00           H  
HETATM   43  H   UNL     1       1.274  -3.405   0.959  1.00  0.00           H  
HETATM   44  H   UNL     1       1.208  -0.492  -1.260  1.00  0.00           H  
HETATM   45  H   UNL     1       0.466   0.577  -0.045  1.00  0.00           H  
HETATM   46  H   UNL     1       2.501   0.428   1.348  1.00  0.00           H  
HETATM   47  H   UNL     1       2.908   1.012  -0.284  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.446   0.150   0.626  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.246  -4.358  -0.965  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.570  -1.604  -0.765  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.956   3.661   0.841  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.358   3.633   0.353  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.425   1.588  -0.508  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.114  -0.425  -0.886  1.00  0.00           H  
CONECT    1    2    5   30   31                                       
CONECT    2    1    3   32   33                                       
CONECT    3    2    4    6                                            
CONECT    4    3    5   34   35                                       
CONECT    5    1    4   36   37                                       
CONECT    6    3    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   38   39                                       
CONECT    9    8   10   14                                            
CONECT   10    9   11   40   41                                       
CONECT   11   10   12   42   43                                       
CONECT   12   11   13   15                                            
CONECT   13   12   14   44   45                                       
CONECT   14    9   13   46   47                                       
CONECT   15   12   16   16   20                                       
CONECT   16   15   15   17   48                                       
CONECT   17   16   18   18   21                                       
CONECT   18   17   17   19                                            
CONECT   19   18   20   20   49                                       
CONECT   20   15   19   19                                            
CONECT   21   17   22   25   25                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   24   26                                       
CONECT   24   23   23   25   29                                       
CONECT   25   21   21   24   50                                       
CONECT   26   23   27   27   51                                       
CONECT   27   26   26   28   52                                       
CONECT   28   27   29   29   53                                       
CONECT   29   24   28   28   54                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   16                                                      
CONECT   49   19                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
