COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.993  -1.193  -1.299  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.178  -2.711  -1.354  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.221  -3.110  -0.398  1.00  0.00           N  
HETATM    4  C   UNL     1      -6.526  -2.553  -0.780  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.858  -2.713   0.969  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.673  -1.195   1.024  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.630  -0.796   0.069  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.384   0.567   0.142  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.996   1.377  -0.698  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.789   2.698  -0.663  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.444   3.557  -1.561  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.216   4.898  -1.504  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.338   5.437  -0.566  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.684   4.635   0.320  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.897   3.248   0.290  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.239   2.387   1.191  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.495   1.051   1.111  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.818   0.095   2.059  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.557  -0.366   1.471  1.00  0.00           N  
HETATM   20  N   UNL     1       0.686   0.254   1.637  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.413  -1.468   0.682  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.246  -2.400   0.219  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.804  -3.375  -0.545  1.00  0.00           C  
HETATM   24  N   UNL     1       0.465  -3.487  -0.896  1.00  0.00           N  
HETATM   25  C   UNL     1       1.371  -2.606  -0.485  1.00  0.00           C  
HETATM   26  N   UNL     1       2.697  -2.729  -0.855  1.00  0.00           N  
HETATM   27  C   UNL     1       0.948  -1.547   0.335  1.00  0.00           C  
HETATM   28  C   UNL     1       1.607  -0.411   0.979  1.00  0.00           C  
HETATM   29  C   UNL     1       3.048  -0.074   0.906  1.00  0.00           C  
HETATM   30  C   UNL     1       3.716  -0.127  -0.312  1.00  0.00           C  
HETATM   31  C   UNL     1       5.068   0.190  -0.377  1.00  0.00           C  
HETATM   32  S   UNL     1       6.187   0.222  -1.737  1.00  0.00           S  
HETATM   33  C   UNL     1       7.490   0.727  -0.671  1.00  0.00           C  
HETATM   34  N   UNL     1       8.787   0.972  -1.073  1.00  0.00           N  
HETATM   35  N   UNL     1       7.062   0.837   0.540  1.00  0.00           N  
HETATM   36  C   UNL     1       5.764   0.563   0.778  1.00  0.00           C  
HETATM   37  C   UNL     1       5.064   0.609   2.004  1.00  0.00           C  
HETATM   38  C   UNL     1       3.741   0.303   2.060  1.00  0.00           C  
HETATM   39  H   UNL     1      -3.200  -0.898  -1.986  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.924  -0.703  -1.585  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.476  -3.005  -2.361  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.240  -3.202  -1.094  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.801  -2.917  -1.770  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.279  -2.863  -0.056  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.465  -1.465  -0.797  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.651  -3.008   1.656  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.928  -3.204   1.255  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.611  -0.705   0.765  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.375  -0.901   2.031  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.127   3.155  -2.295  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.722   5.554  -2.196  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.174   6.504  -0.541  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.006   5.064   1.043  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.554   2.777   1.930  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.614   0.601   3.003  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.469  -0.761   2.239  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.508  -4.113  -0.901  1.00  0.00           H  
HETATM   58  H   UNL     1       2.950  -3.354  -1.553  1.00  0.00           H  
HETATM   59  H   UNL     1       3.375  -2.191  -0.417  1.00  0.00           H  
HETATM   60  H   UNL     1       3.185  -0.414  -1.208  1.00  0.00           H  
HETATM   61  H   UNL     1       3.221   0.349   3.005  1.00  0.00           H  
HETATM   62  H   UNL     1       9.033   0.868  -2.006  1.00  0.00           H  
HETATM   63  H   UNL     1       9.452   1.248  -0.424  1.00  0.00           H  
HETATM   64  H   UNL     1       5.585   0.894   2.906  1.00  0.00           H  
CONECT    1    2    7   39   40                                       
CONECT    2    1    3   41   42                                       
CONECT    3    2    4    5                                            
CONECT    4    3   43   44   45                                       
CONECT    5    3    6   46   47                                       
CONECT    6    5    7   48   49                                       
CONECT    7    1    6    8                                            
CONECT    8    7    9   17   17                                       
CONECT    9    8   10   10                                            
CONECT   10    9    9   11   15                                       
CONECT   11   10   12   12   50                                       
CONECT   12   11   11   13   51                                       
CONECT   13   12   14   14   52                                       
CONECT   14   13   13   15   53                                       
CONECT   15   10   14   16   16                                       
CONECT   16   15   15   17   54                                       
CONECT   17    8    8   16   18                                       
CONECT   18   17   19   55   56                                       
CONECT   19   18   20   21                                            
CONECT   20   19   28   28                                            
CONECT   21   19   22   27   27                                       
CONECT   22   21   23   23                                            
CONECT   23   22   22   24   57                                       
CONECT   24   23   25   25                                            
CONECT   25   24   24   26   27                                       
CONECT   26   25   58   59                                            
CONECT   27   21   21   25   28                                       
CONECT   28   20   20   27   29                                       
CONECT   29   28   30   38   38                                       
CONECT   30   29   31   31   60                                       
CONECT   31   30   30   32   36                                       
CONECT   32   31   33                                                 
CONECT   33   32   34   35   35                                       
CONECT   34   33   62   63                                            
CONECT   35   33   33   36                                            
CONECT   36   31   35   37   37                                       
CONECT   37   36   36   38   64                                       
CONECT   38   29   29   37   61                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   16                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   23                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   30                                                      
CONECT   61   38                                                      
CONECT   62   34                                                      
CONECT   63   34                                                      
CONECT   64   37                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
