COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.303   0.062  -2.282  1.00  0.00           N  
HETATM    2  C   UNL     1       3.283   0.214  -1.365  1.00  0.00           C  
HETATM    3  C   UNL     1       3.026  -0.836  -0.373  1.00  0.00           C  
HETATM    4  C   UNL     1       3.823  -1.922  -0.145  1.00  0.00           C  
HETATM    5  C   UNL     1       3.343  -2.750   0.845  1.00  0.00           C  
HETATM    6  C   UNL     1       2.196  -2.356   1.407  1.00  0.00           C  
HETATM    7  S   UNL     1       1.648  -0.895   0.717  1.00  0.00           S  
HETATM    8  N   UNL     1       2.540   1.300  -1.381  1.00  0.00           N  
HETATM    9  C   UNL     1       1.634   1.523  -0.382  1.00  0.00           C  
HETATM   10  C   UNL     1       0.264   1.484  -0.655  1.00  0.00           C  
HETATM   11  C   UNL     1       2.073   1.785   0.918  1.00  0.00           C  
HETATM   12  C   UNL     1       1.153   2.008   1.921  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.202   1.973   1.642  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.644   1.709   0.357  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.122   1.668   0.065  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.607   0.337   0.249  1.00  0.00           O  
HETATM   17  C   UNL     1      -4.005   0.188  -0.005  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.602  -0.941   0.868  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.250  -0.323  -1.447  1.00  0.00           C  
HETATM   20  N   UNL     1      -5.580  -0.978  -1.355  1.00  0.00           N  
HETATM   21  C   UNL     1      -5.596  -1.676  -0.051  1.00  0.00           C  
HETATM   22  H   UNL     1       4.851  -0.738  -2.270  1.00  0.00           H  
HETATM   23  H   UNL     1       4.470   0.755  -2.940  1.00  0.00           H  
HETATM   24  H   UNL     1       4.737  -2.113  -0.687  1.00  0.00           H  
HETATM   25  H   UNL     1       3.856  -3.651   1.146  1.00  0.00           H  
HETATM   26  H   UNL     1       1.686  -2.889   2.196  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.082   1.278  -1.657  1.00  0.00           H  
HETATM   28  H   UNL     1       3.130   1.812   1.138  1.00  0.00           H  
HETATM   29  H   UNL     1       1.491   2.211   2.927  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.918   2.148   2.432  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.645   2.343   0.742  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.297   1.980  -0.965  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.530   1.127   0.169  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.816  -1.621   1.196  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.123  -0.519   1.727  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.279   0.509  -2.150  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.485  -1.044  -1.734  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.285  -2.712  -0.181  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.597  -1.637   0.379  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.323  -0.297  -1.410  1.00  0.00           H  
CONECT    1    2   22   23                                            
CONECT    2    1    3    8    8                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3    5   24                                       
CONECT    5    4    6    6   25                                       
CONECT    6    5    5    7   26                                       
CONECT    7    3    6                                                 
CONECT    8    2    2    9                                            
CONECT    9    8   10   11   11                                       
CONECT   10    9   14   14   27                                       
CONECT   11    9    9   12   28                                       
CONECT   12   11   13   13   29                                       
CONECT   13   12   12   14   30                                       
CONECT   14   10   10   13   15                                       
CONECT   15   14   16   31   32                                       
CONECT   16   15   17                                                 
CONECT   17   16   18   19   33                                       
CONECT   18   17   21   34   35                                       
CONECT   19   17   20   36   37                                       
CONECT   20   19   21   40                                            
CONECT   21   18   20   38   39                                       
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27   10                                                      
CONECT   28   11                                                      
CONECT   29   12                                                      
CONECT   30   13                                                      
CONECT   31   15                                                      
CONECT   32   15                                                      
CONECT   33   17                                                      
CONECT   34   18                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   20                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
