COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.821  -1.379  -2.156  1.00  0.00           C  
HETATM    2  C   UNL     1       4.430  -0.143  -2.258  1.00  0.00           C  
HETATM    3  C   UNL     1       4.482   0.696  -1.158  1.00  0.00           C  
HETATM    4  C   UNL     1       3.924   0.297   0.043  1.00  0.00           C  
HETATM    5  C   UNL     1       3.315  -0.939   0.145  1.00  0.00           C  
HETATM    6  C   UNL     1       3.268  -1.780  -0.952  1.00  0.00           C  
HETATM    7  S   UNL     1       2.604  -1.447   1.675  1.00  0.00           S  
HETATM    8  O   UNL     1       3.093  -2.761   1.911  1.00  0.00           O  
HETATM    9  O   UNL     1       2.755  -0.343   2.557  1.00  0.00           O  
HETATM   10  N   UNL     1       0.974  -1.611   1.434  1.00  0.00           N  
HETATM   11  C   UNL     1       0.215  -0.514   1.093  1.00  0.00           C  
HETATM   12  N   UNL     1       0.660   0.716   1.031  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.366   1.532   0.663  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.470   2.907   0.444  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.682   3.457   0.067  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.801   2.650  -0.090  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.711   1.277   0.119  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.492   0.714   0.499  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.090  -0.549   0.775  1.00  0.00           O  
HETATM   20 CL   UNL     1       5.249   2.248  -1.286  1.00  0.00          Cl  
HETATM   21 CL   UNL     1       2.502  -3.333  -0.824  1.00  0.00          Cl  
HETATM   22  O   UNL     1      -1.780   4.796  -0.145  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.484   5.349   0.098  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.204  -0.079   0.365  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.059  -1.213  -0.426  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.899  -1.502  -0.993  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.840  -0.733  -0.838  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.906   0.417  -0.056  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.118   0.753   0.557  1.00  0.00           C  
HETATM   30  O   UNL     1      -7.122  -2.034  -0.619  1.00  0.00           O  
HETATM   31  C   UNL     1      -6.674  -3.098  -1.462  1.00  0.00           C  
HETATM   32  H   UNL     1       3.780  -2.033  -3.014  1.00  0.00           H  
HETATM   33  H   UNL     1       4.866   0.169  -3.195  1.00  0.00           H  
HETATM   34  H   UNL     1       3.965   0.952   0.901  1.00  0.00           H  
HETATM   35  H   UNL     1       0.554  -2.479   1.533  1.00  0.00           H  
HETATM   36  H   UNL     1       0.396   3.541   0.569  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.743   3.089  -0.384  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.513   6.427  -0.060  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.187   5.140   1.126  1.00  0.00           H  
HETATM   40  H   UNL     1       0.236   4.900  -0.586  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.155   0.149   0.823  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.910  -1.001  -1.317  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.202   1.641   1.167  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.324  -2.688  -2.410  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.858  -3.629  -0.973  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.498  -3.787  -1.646  1.00  0.00           H  
CONECT    1    2    6    6   32                                       
CONECT    2    1    3    3   33                                       
CONECT    3    2    2    4   20                                       
CONECT    4    3    5    5   34                                       
CONECT    5    4    4    6    7                                       
CONECT    6    1    1    5   21                                       
CONECT    7    5    8    8    9                                       
CONECT    7    9   10                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10    7   11   35                                            
CONECT   11   10   12   12   19                                       
CONECT   12   11   11   13                                            
CONECT   13   12   14   18   18                                       
CONECT   14   13   15   15   36                                       
CONECT   15   14   14   16   22                                       
CONECT   16   15   17   17   37                                       
CONECT   17   16   16   18   28                                       
CONECT   18   13   13   17   19                                       
CONECT   19   11   18                                                 
CONECT   20    3                                                      
CONECT   21    6                                                      
CONECT   22   15   23                                                 
CONECT   23   22   38   39   40                                       
CONECT   24   25   29   29   41                                       
CONECT   25   24   26   26   30                                       
CONECT   26   25   25   27                                            
CONECT   27   26   28   28   42                                       
CONECT   28   17   27   27   29                                       
CONECT   29   24   24   28   43                                       
CONECT   30   25   31                                                 
CONECT   31   30   44   45   46                                       
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    4                                                      
CONECT   35   10                                                      
CONECT   36   14                                                      
CONECT   37   16                                                      
CONECT   38   23                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   27                                                      
CONECT   43   29                                                      
CONECT   44   31                                                      
CONECT   45   31                                                      
CONECT   46   31                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
