COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.798  -0.169   1.107  1.00  0.00           N  
HETATM    2  C   UNL     1       2.128   1.559   0.068  1.00  0.00           C  
HETATM    3  C   UNL     1       2.030   0.290   0.623  1.00  0.00           C  
HETATM    4  C   UNL     1       3.152  -0.524   0.698  1.00  0.00           C  
HETATM    5  C   UNL     1       4.366  -0.072   0.221  1.00  0.00           C  
HETATM    6  C   UNL     1       0.726  -1.431   1.847  1.00  0.00           C  
HETATM    7  C   UNL     1       1.356  -3.202   0.145  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.320   0.554   0.898  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.727   1.039   1.064  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.743   2.747   0.276  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.793   0.313  -2.493  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.774  -0.551  -2.096  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.083  -0.339  -0.941  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.283   1.538   0.189  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.617   0.140   1.544  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.402   0.766  -0.140  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.129   1.396  -1.739  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.440   1.647  -0.543  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.077   2.934   1.392  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.101   2.130   1.789  1.00  0.00           C  
HETATM   21  C   UNL     1       0.392  -2.552   0.896  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.854  -2.993   0.716  1.00  0.00           C  
HETATM   23  S   UNL     1      -0.852  -4.301  -0.460  1.00  0.00           S  
HETATM   24  C   UNL     1       0.892  -4.168  -0.650  1.00  0.00           C  
HETATM   25  C   UNL     1       3.342   2.012  -0.410  1.00  0.00           C  
HETATM   26  C   UNL     1       4.465   1.198  -0.334  1.00  0.00           C  
HETATM   27  N   UNL     1       5.695   1.656  -0.817  1.00  0.00           N  
HETATM   28  C   UNL     1       6.853   0.758  -0.844  1.00  0.00           C  
HETATM   29  C   UNL     1       5.827   3.035  -1.295  1.00  0.00           C  
HETATM   30  H   UNL     1       1.254   2.190   0.005  1.00  0.00           H  
HETATM   31  H   UNL     1       3.075  -1.511   1.129  1.00  0.00           H  
HETATM   32  H   UNL     1       5.240  -0.705   0.280  1.00  0.00           H  
HETATM   33  H   UNL     1       1.687  -1.630   2.320  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.048  -1.361   2.611  1.00  0.00           H  
HETATM   35  H   UNL     1       2.403  -2.944   0.194  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.528   3.432  -0.007  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.324   0.120  -3.414  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.528  -1.403  -2.714  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.296  -1.017  -0.645  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.844  -0.891   1.276  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.526   0.223   2.627  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.921   2.057  -2.059  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.593   2.341   2.719  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.729  -2.607   1.216  1.00  0.00           H  
HETATM   45  H   UNL     1       1.495  -4.778  -1.306  1.00  0.00           H  
HETATM   46  H   UNL     1       3.418   2.997  -0.845  1.00  0.00           H  
HETATM   47  H   UNL     1       6.881   0.231  -1.797  1.00  0.00           H  
HETATM   48  H   UNL     1       7.767   1.339  -0.722  1.00  0.00           H  
HETATM   49  H   UNL     1       6.771   0.036  -0.032  1.00  0.00           H  
HETATM   50  H   UNL     1       4.897   3.573  -1.112  1.00  0.00           H  
HETATM   51  H   UNL     1       6.642   3.527  -0.765  1.00  0.00           H  
HETATM   52  H   UNL     1       6.039   3.030  -2.364  1.00  0.00           H  
CONECT    1    8    6    3                                            
CONECT    2    3   25   25   30                                       
CONECT    3    1    4    4    2                                       
CONECT    4    3    3    5   31                                       
CONECT    5    4   26   26   32                                       
CONECT    6    1   21   33   34                                       
CONECT    7   21   24   24   35                                       
CONECT    8   15   14   14    1                                       
CONECT    9   20   20   16   15                                       
CONECT   10   19   19   18   36                                       
CONECT   11   17   12   12   37                                       
CONECT   12   11   11   13   38                                       
CONECT   13   16   16   12   39                                       
CONECT   14    8    8                                                 
CONECT   15    9    8   40   41                                       
CONECT   16   18    9   13   13                                       
CONECT   17   18   18   11   42                                       
CONECT   18   10   17   17   16                                       
CONECT   19   10   10   20                                            
CONECT   20   19    9    9   43                                       
CONECT   21   22   22    6    7                                       
CONECT   22   23   21   21   44                                       
CONECT   23   22   24                                                 
CONECT   24   23    7    7   45                                       
CONECT   25    2    2   26   46                                       
CONECT   26    5    5   25   27                                       
CONECT   27   26   28   29                                            
CONECT   28   27   47   48   49                                       
CONECT   29   27   50   51   52                                       
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   17                                                      
CONECT   43   20                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
