COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      12.240   3.716  -0.010  1.00  0.00           C  
HETATM    2  C   UNL     1      11.659   2.301  -0.004  1.00  0.00           C  
HETATM    3  C   UNL     1      10.130   2.376  -0.007  1.00  0.00           C  
HETATM    4  C   UNL     1       9.550   0.961  -0.002  1.00  0.00           C  
HETATM    5  C   UNL     1       8.021   1.037  -0.005  1.00  0.00           C  
HETATM    6  C   UNL     1       7.441  -0.379   0.001  1.00  0.00           C  
HETATM    7  C   UNL     1       5.913  -0.303  -0.002  1.00  0.00           C  
HETATM    8  C   UNL     1       5.332  -1.718   0.003  1.00  0.00           C  
HETATM    9  N   UNL     1       3.865  -1.645   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       3.271  -2.989   0.005  1.00  0.00           C  
HETATM   11  C   UNL     1       1.768  -2.874   0.002  1.00  0.00           C  
HETATM   12  C   UNL     1       1.081  -2.827  -1.196  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.297  -2.721  -1.199  1.00  0.00           C  
HETATM   14  C   UNL     1       1.076  -2.822   1.198  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.302  -2.717   1.195  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.988  -2.662  -0.004  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.491  -2.548  -0.007  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.873  -1.134  -0.005  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.176  -0.788  -0.008  1.00  0.00           C  
HETATM   20  O   UNL     1      -5.034  -1.650  -0.011  1.00  0.00           O  
HETATM   21  C   UNL     1      -4.559   0.631  -0.006  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.948   1.081  -0.003  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.164   0.336  -0.005  1.00  0.00           C  
HETATM   24  O   UNL     1      -7.146  -0.883  -0.011  1.00  0.00           O  
HETATM   25  N   UNL     1      -8.333   1.007  -0.001  1.00  0.00           N  
HETATM   26  C   UNL     1      -8.343   2.363   0.006  1.00  0.00           C  
HETATM   27  N   UNL     1      -7.244   3.059   0.008  1.00  0.00           N  
HETATM   28  C   UNL     1      -6.031   2.466   0.004  1.00  0.00           C  
HETATM   29  S   UNL     1      -4.414   3.157   0.006  1.00  0.00           S  
HETATM   30  C   UNL     1      -3.666   1.630  -0.002  1.00  0.00           C  
HETATM   31  H   UNL     1      11.901   4.251   0.877  1.00  0.00           H  
HETATM   32  H   UNL     1      13.328   3.662  -0.008  1.00  0.00           H  
HETATM   33  H   UNL     1      11.904   4.243  -0.903  1.00  0.00           H  
HETATM   34  H   UNL     1      11.998   1.765  -0.891  1.00  0.00           H  
HETATM   35  H   UNL     1      11.995   1.774   0.889  1.00  0.00           H  
HETATM   36  H   UNL     1       9.792   2.912   0.880  1.00  0.00           H  
HETATM   37  H   UNL     1       9.795   2.904  -0.900  1.00  0.00           H  
HETATM   38  H   UNL     1       9.889   0.426  -0.889  1.00  0.00           H  
HETATM   39  H   UNL     1       9.885   0.434   0.891  1.00  0.00           H  
HETATM   40  H   UNL     1       7.683   1.572   0.882  1.00  0.00           H  
HETATM   41  H   UNL     1       7.686   1.564  -0.898  1.00  0.00           H  
HETATM   42  H   UNL     1       7.780  -0.914  -0.886  1.00  0.00           H  
HETATM   43  H   UNL     1       7.777  -0.906   0.894  1.00  0.00           H  
HETATM   44  H   UNL     1       5.574   0.233   0.885  1.00  0.00           H  
HETATM   45  H   UNL     1       5.577   0.224  -0.895  1.00  0.00           H  
HETATM   46  H   UNL     1       5.671  -2.253  -0.884  1.00  0.00           H  
HETATM   47  H   UNL     1       5.668  -2.245   0.896  1.00  0.00           H  
HETATM   48  H   UNL     1       3.528  -1.098   0.778  1.00  0.00           H  
HETATM   49  H   UNL     1       3.595  -3.533  -0.882  1.00  0.00           H  
HETATM   50  H   UNL     1       3.592  -3.525   0.898  1.00  0.00           H  
HETATM   51  H   UNL     1       1.621  -2.872  -2.131  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.834  -2.684  -2.136  1.00  0.00           H  
HETATM   53  H   UNL     1       1.613  -2.863   2.134  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.842  -2.676   2.129  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.890  -3.032  -0.899  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.894  -3.034   0.882  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.189  -0.447  -0.003  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.291   2.881   0.009  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.597   1.482   0.000  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.171   0.517  -0.002  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    3    1   34   35                                       
CONECT    3    4    2   36   37                                       
CONECT    4    5    3   38   39                                       
CONECT    5    6    4   40   41                                       
CONECT    6    7    5   42   43                                       
CONECT    7    8    6   44   45                                       
CONECT    8    9    7   46   47                                       
CONECT    9    8   10   48                                            
CONECT   10    9   11   49   50                                       
CONECT   11   14   10   12   12                                       
CONECT   12   11   11   13   51                                       
CONECT   13   16   16   12   52                                       
CONECT   14   15   15   11   53                                       
CONECT   15   14   14   16   54                                       
CONECT   16   15   17   13   13                                       
CONECT   17   18   16   55   56                                       
CONECT   18   19   17   57                                            
CONECT   19   21   18   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   22   30   30   19                                       
CONECT   22   28   28   23   21                                       
CONECT   23   25   24   24   22                                       
CONECT   24   23   23                                                 
CONECT   25   26   23   60                                            
CONECT   26   27   27   25   58                                       
CONECT   27   26   26   28                                            
CONECT   28   27   22   22   29                                       
CONECT   29   28   30                                                 
CONECT   30   29   21   21   59                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   26                                                      
CONECT   59   30                                                      
CONECT   60   25                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
