COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.268  -5.015  -0.037  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.689  -3.873  -0.026  1.00  0.00           C  
HETATM    3  C   UNL     1       0.100  -2.631   0.058  1.00  0.00           C  
HETATM    4  C   UNL     1       1.469  -2.522   0.143  1.00  0.00           C  
HETATM    5  C   UNL     1       2.104  -1.202   0.097  1.00  0.00           C  
HETATM    6  C   UNL     1       3.496  -1.093   0.049  1.00  0.00           C  
HETATM    7  C   UNL     1       4.088   0.161   0.006  1.00  0.00           C  
HETATM    8  S   UNL     1       5.778   0.653  -0.059  1.00  0.00           S  
HETATM    9  C   UNL     1       5.324   2.297  -0.075  1.00  0.00           C  
HETATM   10  N   UNL     1       4.051   2.434  -0.036  1.00  0.00           N  
HETATM   11  C   UNL     1       3.300   1.320   0.010  1.00  0.00           C  
HETATM   12  C   UNL     1       1.894   1.188   0.060  1.00  0.00           C  
HETATM   13  C   UNL     1       1.315  -0.039   0.096  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.808  -1.609   0.036  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.013  -2.106  -0.051  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.979  -3.476  -0.096  1.00  0.00           N  
HETATM   17  N   UNL     1      -3.164  -1.354  -0.096  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.086   0.108  -0.047  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.497   0.697  -0.112  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.416   2.223  -0.061  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.596   2.731  -1.249  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.414   0.539   1.258  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.332   2.066   1.310  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.743   2.655   1.244  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.513   2.574   0.122  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.185   2.142  -1.183  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.267   0.616  -1.235  1.00  0.00           C  
HETATM   28  H   UNL     1       2.076  -3.410   0.242  1.00  0.00           H  
HETATM   29  H   UNL     1       4.108  -1.982   0.046  1.00  0.00           H  
HETATM   30  H   UNL     1       6.022   3.121  -0.113  1.00  0.00           H  
HETATM   31  H   UNL     1       1.274   2.072   0.064  1.00  0.00           H  
HETATM   32  H   UNL     1       0.238  -0.122   0.129  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.750  -4.061  -0.161  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.027  -1.792  -0.160  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.976   0.389  -1.042  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.081   0.335   0.734  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.421   2.643  -0.107  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.075   2.424  -2.178  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.538   3.819  -1.212  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.998   0.178   2.105  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.409   0.120   1.305  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.853   2.374   2.239  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.685   3.743   1.281  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.327   2.293   2.091  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.455   3.662   0.158  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.508   2.155   0.168  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.601   2.504  -2.030  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.262   0.196  -1.188  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.746   0.308  -2.164  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   16    3    1    1                                       
CONECT    3   14    4    4    2                                       
CONECT    4    5    3    3   28                                       
CONECT    5    6    4   13   13                                       
CONECT    6    7    7    5   29                                       
CONECT    7    8    6    6   11                                       
CONECT    8    9    7                                                 
CONECT    9    8   10   10   30                                       
CONECT   10    9    9   11                                            
CONECT   11    7   10   12   12                                       
CONECT   12   11   11   13   31                                       
CONECT   13    5    5   12   32                                       
CONECT   14   15   15    3                                            
CONECT   15   17   14   14   16                                       
CONECT   16   15    2   33                                            
CONECT   17   18   15   34                                            
CONECT   18   22   27   19   17                                       
CONECT   19   20   18   35   36                                       
CONECT   20   24   21   19   37                                       
CONECT   21   26   20   38   39                                       
CONECT   22   23   18   40   41                                       
CONECT   23   25   24   22   42                                       
CONECT   24   23   20   43   44                                       
CONECT   25   23   26   45   46                                       
CONECT   26   25   21   27   47                                       
CONECT   27   26   18   48   49                                       
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    9                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
