COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.311  -4.144   0.489  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.052  -3.039   0.441  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.725  -1.646   0.380  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.368  -1.143   0.374  1.00  0.00           C  
HETATM    5  C   UNL     1       0.832  -2.009   0.429  1.00  0.00           C  
HETATM    6  C   UNL     1       1.114  -2.882  -0.621  1.00  0.00           C  
HETATM    7  C   UNL     1       1.688  -1.950   1.529  1.00  0.00           C  
HETATM    8  C   UNL     1       2.805  -2.759   1.575  1.00  0.00           C  
HETATM    9  C   UNL     1       3.077  -3.627   0.533  1.00  0.00           C  
HETATM   10  C   UNL     1       2.235  -3.687  -0.564  1.00  0.00           C  
HETATM   11 CL   UNL     1       2.588  -4.775  -1.870  1.00  0.00          Cl  
HETATM   12  C   UNL     1      -2.667  -0.650   0.317  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.030  -0.868   0.304  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.952   0.268   0.234  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.394  -0.244   0.234  1.00  0.00           C  
HETATM   16  N   UNL     1      -7.319   0.895   0.163  1.00  0.00           N  
HETATM   17  C   UNL     1      -8.703   0.464   0.398  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.616   1.690   0.463  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.519   2.462  -0.856  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.060   2.857  -1.102  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.192   1.597  -1.120  1.00  0.00           C  
HETATM   22  S   UNL     1      -1.940   0.889   0.256  1.00  0.00           S  
HETATM   23  C   UNL     1      -0.319   0.220   0.311  1.00  0.00           C  
HETATM   24  C   UNL     1       0.919   1.016   0.294  1.00  0.00           C  
HETATM   25  C   UNL     1       0.865   2.417   0.228  1.00  0.00           C  
HETATM   26  C   UNL     1       2.053   3.120   0.214  1.00  0.00           C  
HETATM   27  N   UNL     1       3.200   2.458   0.262  1.00  0.00           N  
HETATM   28  C   UNL     1       3.224   1.134   0.323  1.00  0.00           C  
HETATM   29  N   UNL     1       2.111   0.418   0.345  1.00  0.00           N  
HETATM   30  N   UNL     1       4.446   0.483   0.378  1.00  0.00           N  
HETATM   31  C   UNL     1       5.632   1.210   0.240  1.00  0.00           C  
HETATM   32  C   UNL     1       6.773   0.817   0.928  1.00  0.00           C  
HETATM   33  C   UNL     1       7.946   1.532   0.787  1.00  0.00           C  
HETATM   34  C   UNL     1       7.988   2.641  -0.037  1.00  0.00           C  
HETATM   35  C   UNL     1       6.851   3.039  -0.726  1.00  0.00           C  
HETATM   36  O   UNL     1       6.894   4.130  -1.535  1.00  0.00           O  
HETATM   37  C   UNL     1       5.672   2.324  -0.588  1.00  0.00           C  
HETATM   38  H   UNL     1       0.457  -2.930  -1.477  1.00  0.00           H  
HETATM   39  H   UNL     1       1.477  -1.273   2.343  1.00  0.00           H  
HETATM   40  H   UNL     1       3.468  -2.714   2.426  1.00  0.00           H  
HETATM   41  H   UNL     1       3.953  -4.258   0.574  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.377  -1.773   0.341  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.797   0.916   1.097  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.767   0.831  -0.681  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.549  -0.892  -0.629  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.579  -0.807   1.148  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.024  -0.186  -0.415  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.758  -0.080   1.342  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.645   1.369   0.622  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.304   2.334   1.285  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.868   1.832  -1.674  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.136   3.359  -0.799  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.978   3.370  -2.060  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.723   3.519  -0.304  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.150   1.876  -1.280  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.520   0.942  -1.927  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.083   2.932   0.189  1.00  0.00           H  
HETATM   58  H   UNL     1       2.048   4.199   0.164  1.00  0.00           H  
HETATM   59  H   UNL     1       4.478  -0.477   0.512  1.00  0.00           H  
HETATM   60  H   UNL     1       6.743  -0.049   1.573  1.00  0.00           H  
HETATM   61  H   UNL     1       8.833   1.225   1.323  1.00  0.00           H  
HETATM   62  H   UNL     1       8.907   3.198  -0.144  1.00  0.00           H  
HETATM   63  H   UNL     1       7.138   3.932  -2.449  1.00  0.00           H  
HETATM   64  H   UNL     1       4.788   2.629  -1.127  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    3    1    1    1                                       
CONECT    3   12   12    2    4                                       
CONECT    4   23   23    3    5                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5   10   38                                       
CONECT    7    5    8    8   39                                       
CONECT    8    7    7    9   40                                       
CONECT    9   10   10    8   41                                       
CONECT   10    6   11    9    9                                       
CONECT   11   10                                                      
CONECT   12   13   22    3    3                                       
CONECT   13   14   12   42                                            
CONECT   14   15   13   43   44                                       
CONECT   15   16   14   45   46                                       
CONECT   16   21   17   15                                            
CONECT   17   18   16   47   48                                       
CONECT   18   19   17   49   50                                       
CONECT   19   20   18   51   52                                       
CONECT   20   19   21   53   54                                       
CONECT   21   20   16   55   56                                       
CONECT   22   12   23                                                 
CONECT   23   22   24    4    4                                       
CONECT   24   29   23   25   25                                       
CONECT   25   24   24   26   57                                       
CONECT   26   27   27   25   58                                       
CONECT   27   28   26   26                                            
CONECT   28   30   29   29   27                                       
CONECT   29   28   28   24                                            
CONECT   30   31   28   59                                            
CONECT   31   32   32   37   30                                       
CONECT   32   33   31   31   60                                       
CONECT   33   34   34   32   61                                       
CONECT   34   33   33   35   62                                       
CONECT   35   34   36   37   37                                       
CONECT   36   35   63                                                 
CONECT   37   35   35   31   64                                       
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   30                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
CONECT   62   34                                                      
CONECT   63   36                                                      
CONECT   64   37                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
