COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1       4.223   2.465   0.293  1.00  0.00          Cl  
HETATM    2  C   UNL     1       2.522   2.148   0.152  1.00  0.00           C  
HETATM    3  C   UNL     1       1.540   3.062   0.083  1.00  0.00           C  
HETATM    4  C   UNL     1       1.742   4.556   0.117  1.00  0.00           C  
HETATM    5  C   UNL     1       2.050   5.060  -1.294  1.00  0.00           C  
HETATM    6  N   UNL     1       0.324   2.431  -0.022  1.00  0.00           N  
HETATM    7  C   UNL     1       1.882   0.835   0.078  1.00  0.00           C  
HETATM    8  C   UNL     1       2.338  -0.493   0.096  1.00  0.00           C  
HETATM    9  N   UNL     1       3.688  -0.776   0.205  1.00  0.00           N  
HETATM   10  C   UNL     1       3.967  -1.571   1.429  1.00  0.00           C  
HETATM   11  C   UNL     1       5.339  -2.222   1.123  1.00  0.00           C  
HETATM   12  C   UNL     1       5.238  -2.549  -0.385  1.00  0.00           C  
HETATM   13  N   UNL     1       4.842  -3.951  -0.577  1.00  0.00           N  
HETATM   14  C   UNL     1       4.148  -1.607  -0.929  1.00  0.00           C  
HETATM   15  N   UNL     1       1.443  -1.471   0.005  1.00  0.00           N  
HETATM   16  C   UNL     1       0.147  -1.203  -0.100  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.324   0.032  -0.120  1.00  0.00           N  
HETATM   18  C   UNL     1       0.500   1.075  -0.024  1.00  0.00           C  
HETATM   19  S   UNL     1      -0.989  -2.546  -0.216  1.00  0.00           S  
HETATM   20  C   UNL     1      -2.485  -1.657  -0.491  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.941  -1.424  -1.783  1.00  0.00           C  
HETATM   22  N   UNL     1      -4.060  -0.763  -1.999  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.799  -0.292  -1.009  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.073   0.445  -1.321  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.558   1.222  -0.135  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.129   1.002   1.086  1.00  0.00           C  
HETATM   27  N   UNL     1      -5.181   0.024   1.352  1.00  0.00           N  
HETATM   28  O   UNL     1      -5.002  -0.456   2.672  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.403  -0.483   0.309  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.234  -1.181   0.582  1.00  0.00           C  
HETATM   31  H   UNL     1       0.836   5.036   0.485  1.00  0.00           H  
HETATM   32  H   UNL     1       2.575   4.795   0.778  1.00  0.00           H  
HETATM   33  H   UNL     1       2.196   6.140  -1.270  1.00  0.00           H  
HETATM   34  H   UNL     1       2.956   4.579  -1.663  1.00  0.00           H  
HETATM   35  H   UNL     1       1.217   4.821  -1.955  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.533   2.882  -0.086  1.00  0.00           H  
HETATM   37  H   UNL     1       4.036  -0.921   2.302  1.00  0.00           H  
HETATM   38  H   UNL     1       3.201  -2.332   1.576  1.00  0.00           H  
HETATM   39  H   UNL     1       6.150  -1.519   1.311  1.00  0.00           H  
HETATM   40  H   UNL     1       5.473  -3.132   1.707  1.00  0.00           H  
HETATM   41  H   UNL     1       6.189  -2.352  -0.879  1.00  0.00           H  
HETATM   42  H   UNL     1       5.528  -4.577  -0.183  1.00  0.00           H  
HETATM   43  H   UNL     1       3.928  -4.125  -0.188  1.00  0.00           H  
HETATM   44  H   UNL     1       3.317  -2.190  -1.324  1.00  0.00           H  
HETATM   45  H   UNL     1       4.564  -0.970  -1.710  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.370  -1.790  -2.623  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.895   1.131  -2.149  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.292   1.999  -0.292  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.522   1.594   1.899  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.587  -0.043   3.322  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.909  -1.343   1.600  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.839  -0.274  -1.612  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    7    3    3    1                                       
CONECT    3    6    2    2    4                                       
CONECT    4    3    5   31   32                                       
CONECT    5    4   33   34   35                                       
CONECT    6   18    3   36                                            
CONECT    7    8    8   18    2                                       
CONECT    8   15    9    7    7                                       
CONECT    9   10    8   14                                            
CONECT   10   11    9   37   38                                       
CONECT   11   12   10   39   40                                       
CONECT   12   13   11   14   41                                       
CONECT   13   12   42   43                                            
CONECT   14   12    9   44   45                                       
CONECT   15   16   16    8                                            
CONECT   16   19   15   15   17                                       
CONECT   17   16   18   18                                            
CONECT   18   17   17    7    6                                       
CONECT   19   20   16                                                 
CONECT   20   21   21   30   19                                       
CONECT   21   22   20   20   46                                       
CONECT   22   23   23   21                                            
CONECT   23   24   22   22   29                                       
CONECT   24   25   23   47   52                                       
CONECT   25   24   26   26   48                                       
CONECT   26   25   25   27   49                                       
CONECT   27   26   29   28                                            
CONECT   28   27   50                                                 
CONECT   29   23   27   30   30                                       
CONECT   30   29   29   20   51                                       
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   21                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   28                                                      
CONECT   51   30                                                      
CONECT   52   24                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
