COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.270   0.519  -0.053  1.00  0.00           C  
HETATM    2  O   UNL     1      -1.561   1.632  -0.450  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.306  -0.508   0.069  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.583  -0.220  -0.259  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.623  -1.251  -0.136  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.368  -2.427   0.577  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.349  -3.390   0.687  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.587  -3.198   0.095  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.853  -2.042  -0.612  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.881  -1.059  -0.729  1.00  0.00           C  
HETATM   11  N   UNL     1      -6.152   0.115  -1.439  1.00  0.00           N  
HETATM   12  C   UNL     1      -6.670   0.222  -2.682  1.00  0.00           C  
HETATM   13  N   UNL     1      -6.756   1.497  -2.959  1.00  0.00           N  
HETATM   14  N   UNL     1      -6.328   2.203  -1.976  1.00  0.00           N  
HETATM   15  N   UNL     1      -5.948   1.439  -1.010  1.00  0.00           N  
HETATM   16 CL   UNL     1      -5.031  -4.850   1.572  1.00  0.00          Cl  
HETATM   17  N   UNL     1       0.006   0.231   0.274  1.00  0.00           N  
HETATM   18  C   UNL     1       1.042   1.259   0.152  1.00  0.00           C  
HETATM   19  C   UNL     1       2.385   0.599  -0.033  1.00  0.00           C  
HETATM   20  O   UNL     1       2.467  -0.610  -0.060  1.00  0.00           O  
HETATM   21  C   UNL     1       1.064   2.115   1.420  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.234   2.870   1.539  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.301   2.309   2.214  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.357   4.126   0.973  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.492   3.002   2.324  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.548   4.820   1.084  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.615   4.258   1.759  1.00  0.00           C  
HETATM   28  N   UNL     1       3.493   1.354  -0.168  1.00  0.00           N  
HETATM   29  C   UNL     1       4.749   0.744  -0.231  1.00  0.00           C  
HETATM   30  C   UNL     1       5.750   1.298  -1.021  1.00  0.00           C  
HETATM   31  C   UNL     1       6.989   0.699  -1.086  1.00  0.00           C  
HETATM   32  C   UNL     1       7.240  -0.464  -0.356  1.00  0.00           C  
HETATM   33  C   UNL     1       6.233  -1.017   0.437  1.00  0.00           C  
HETATM   34  C   UNL     1       4.997  -0.411   0.501  1.00  0.00           C  
HETATM   35  C   UNL     1       8.569  -1.110  -0.424  1.00  0.00           C  
HETATM   36  N   UNL     1       8.952  -2.236   0.227  1.00  0.00           N  
HETATM   37  N   UNL     1      10.289  -2.446  -0.154  1.00  0.00           N  
HETATM   38  N   UNL     1      10.602  -1.490  -0.960  1.00  0.00           N  
HETATM   39  N   UNL     1       9.602  -0.703  -1.132  1.00  0.00           N  
HETATM   40  H   UNL     1      -2.048  -1.495   0.421  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.840   0.768  -0.610  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.404  -2.581   1.039  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.350  -3.958   0.186  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.820  -1.900  -1.071  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.958  -0.595  -3.328  1.00  0.00           H  
HETATM   46  H   UNL     1       0.237  -0.656   0.590  1.00  0.00           H  
HETATM   47  H   UNL     1       0.827   1.892  -0.710  1.00  0.00           H  
HETATM   48  H   UNL     1       1.893   2.821   1.367  1.00  0.00           H  
HETATM   49  H   UNL     1       1.191   1.471   2.290  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.205   1.328   2.656  1.00  0.00           H  
HETATM   51  H   UNL     1       0.477   4.565   0.445  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.326   2.563   2.852  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.644   5.800   0.642  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.547   4.798   1.841  1.00  0.00           H  
HETATM   55  H   UNL     1       3.420   2.319  -0.221  1.00  0.00           H  
HETATM   56  H   UNL     1       5.556   2.198  -1.586  1.00  0.00           H  
HETATM   57  H   UNL     1       4.220  -0.836   1.118  1.00  0.00           H  
HETATM   58  H   UNL     1       7.766   1.129  -1.701  1.00  0.00           H  
HETATM   59  H   UNL     1       6.424  -1.917   1.003  1.00  0.00           H  
HETATM   60  H   UNL     1       8.419  -2.781   0.827  1.00  0.00           H  
CONECT    1   17    2    2    3                                       
CONECT    2    1    1                                                 
CONECT    3    1    4    4   40                                       
CONECT    4    3    3    5   41                                       
CONECT    5    4    6   10   10                                       
CONECT    6    5    7    7   42                                       
CONECT    7    6    6    8   16                                       
CONECT    8    7    9    9   43                                       
CONECT    9    8    8   10   44                                       
CONECT   10    5    5    9   11                                       
CONECT   11   10   12   15                                            
CONECT   12   11   13   13   45                                       
CONECT   13   12   12   14                                            
CONECT   14   13   15   15                                            
CONECT   15   11   14   14                                            
CONECT   16    7                                                      
CONECT   17   18    1   46                                            
CONECT   18   21   19   17   47                                       
CONECT   19   18   20   20   28                                       
CONECT   20   19   19                                                 
CONECT   21   22   18   48   49                                       
CONECT   22   23   24   24   21                                       
CONECT   23   25   25   22   50                                       
CONECT   24   22   22   26   51                                       
CONECT   25   27   23   23   52                                       
CONECT   26   27   27   24   53                                       
CONECT   27   25   26   26   54                                       
CONECT   28   19   29   55                                            
CONECT   29   28   30   34   34                                       
CONECT   30   29   31   31   56                                       
CONECT   31   30   30   32   58                                       
CONECT   32   31   33   33   35                                       
CONECT   33   32   32   34   59                                       
CONECT   34   29   29   33   57                                       
CONECT   35   32   36   39   39                                       
CONECT   36   35   37   60                                            
CONECT   37   36   38   38                                            
CONECT   38   37   37   39                                            
CONECT   39   35   35   38                                            
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    6                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   12                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   30                                                      
CONECT   57   34                                                      
CONECT   58   31                                                      
CONECT   59   33                                                      
CONECT   60   36                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
