COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.423   0.051  -0.900  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.804   0.079  -0.654  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.730   0.114  -1.712  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.063   0.139  -1.440  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.527   0.131  -0.126  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.660   0.097   0.923  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.276   0.070   0.683  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.355   0.034   1.746  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.023   0.008   1.489  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.543   0.016   0.168  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.084  -0.013  -0.084  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.663  -0.006  -1.227  1.00  0.00           O  
HETATM   13  N   UNL     1      -1.227  -0.047   0.945  1.00  0.00           N  
HETATM   14  C   UNL     1       0.077  -0.072   0.720  1.00  0.00           C  
HETATM   15  S   UNL     1       0.831  -0.068  -0.828  1.00  0.00           S  
HETATM   16  N   UNL     1       1.047  -0.102   1.672  1.00  0.00           N  
HETATM   17  C   UNL     1       2.326  -0.126   1.325  1.00  0.00           C  
HETATM   18  O   UNL     1       3.238  -0.153   2.124  1.00  0.00           O  
HETATM   19  C   UNL     1       2.526  -0.115  -0.169  1.00  0.00           C  
HETATM   20  O   UNL     1       3.242   1.045  -0.575  1.00  0.00           O  
HETATM   21  C   UNL     1       4.581   1.112  -0.079  1.00  0.00           C  
HETATM   22  C   UNL     1       5.247   2.395  -0.581  1.00  0.00           C  
HETATM   23  O   UNL     1       4.580   3.528  -0.022  1.00  0.00           O  
HETATM   24  C   UNL     1       5.370  -0.101  -0.579  1.00  0.00           C  
HETATM   25  O   UNL     1       6.696  -0.060  -0.049  1.00  0.00           O  
HETATM   26  C   UNL     1       4.672  -1.383  -0.112  1.00  0.00           C  
HETATM   27  O   UNL     1       5.368  -2.520  -0.625  1.00  0.00           O  
HETATM   28  C   UNL     1       3.231  -1.384  -0.635  1.00  0.00           C  
HETATM   29  O   UNL     1       2.541  -2.527  -0.127  1.00  0.00           O  
HETATM   30  H   UNL     1      -4.050   0.053  -1.913  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.385   0.121  -2.736  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.773   0.166  -2.254  1.00  0.00           H  
HETATM   33  H   UNL     1      -9.590   0.152   0.063  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.035   0.092   1.936  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.709   0.027   2.766  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.322  -0.019   2.310  1.00  0.00           H  
HETATM   37  H   UNL     1       0.801  -0.105   2.611  1.00  0.00           H  
HETATM   38  H   UNL     1       3.239  -1.417  -1.724  1.00  0.00           H  
HETATM   39  H   UNL     1       4.566   1.113   1.011  1.00  0.00           H  
HETATM   40  H   UNL     1       6.294   2.404  -0.278  1.00  0.00           H  
HETATM   41  H   UNL     1       5.183   2.436  -1.668  1.00  0.00           H  
HETATM   42  H   UNL     1       5.412  -0.085  -1.668  1.00  0.00           H  
HETATM   43  H   UNL     1       4.950   4.378  -0.297  1.00  0.00           H  
HETATM   44  H   UNL     1       7.196   0.729  -0.302  1.00  0.00           H  
HETATM   45  H   UNL     1       4.667  -1.419   0.977  1.00  0.00           H  
HETATM   46  H   UNL     1       6.291  -2.578  -0.340  1.00  0.00           H  
HETATM   47  H   UNL     1       2.935  -3.372  -0.385  1.00  0.00           H  
CONECT    1    2   10   10   30                                       
CONECT    2    1    3    7    7                                       
CONECT    3    2    4    4   31                                       
CONECT    4    3    3    5   32                                       
CONECT    5    4    6    6   33                                       
CONECT    6    5    5    7   34                                       
CONECT    7    2    2    6    8                                       
CONECT    8    7    9    9   35                                       
CONECT    9    8    8   10   36                                       
CONECT   10    1    1    9   11                                       
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   14                                            
CONECT   14   13   13   15   16                                       
CONECT   15   14   19                                                 
CONECT   16   14   17   37                                            
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   15   17   20   28                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   24   39                                       
CONECT   22   21   23   40   41                                       
CONECT   23   22   43                                                 
CONECT   24   21   25   26   42                                       
CONECT   25   24   44                                                 
CONECT   26   24   27   28   45                                       
CONECT   27   26   46                                                 
CONECT   28   19   26   29   38                                       
CONECT   29   28   47                                                 
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   16                                                      
CONECT   38   28                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   24                                                      
CONECT   43   23                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   29                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
