COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.162   1.916   1.118  1.00  0.00           C  
HETATM    2  O   UNL     1       2.720   2.455   0.126  1.00  0.00           O  
HETATM    3  C   UNL     1       3.439   2.728   2.357  1.00  0.00           C  
HETATM    4  S   UNL     1       3.011   4.464   2.049  1.00  0.00           S  
HETATM    5  N   UNL     1       3.400   0.589   1.115  1.00  0.00           N  
HETATM    6  C   UNL     1       3.125  -0.202  -0.087  1.00  0.00           C  
HETATM    7  C   UNL     1       1.663  -0.094  -0.436  1.00  0.00           C  
HETATM    8  O   UNL     1       1.003   0.827  -0.003  1.00  0.00           O  
HETATM    9  C   UNL     1       3.967   0.328  -1.250  1.00  0.00           C  
HETATM   10  C   UNL     1       5.428   0.108  -0.953  1.00  0.00           C  
HETATM   11  C   UNL     1       6.043  -1.066  -1.345  1.00  0.00           C  
HETATM   12  C   UNL     1       6.154   1.082  -0.294  1.00  0.00           C  
HETATM   13  C   UNL     1       7.384  -1.269  -1.073  1.00  0.00           C  
HETATM   14  C   UNL     1       7.494   0.880  -0.022  1.00  0.00           C  
HETATM   15  C   UNL     1       8.108  -0.297  -0.409  1.00  0.00           C  
HETATM   16  N   UNL     1       1.089  -1.020  -1.230  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.320  -1.036  -1.647  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.213  -1.107  -0.435  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.727  -1.141   0.675  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.525  -2.290  -2.523  1.00  0.00           C  
HETATM   21  C   UNL     1       0.643  -3.213  -2.086  1.00  0.00           C  
HETATM   22  C   UNL     1       1.773  -2.181  -1.827  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.552  -1.132  -0.585  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.420  -1.201   0.593  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.587  -2.661   1.019  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.790  -0.609   0.253  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.639   0.883  -0.052  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.008   1.475  -0.392  1.00  0.00           C  
HETATM   29  N   UNL     1      -5.863   2.903  -0.684  1.00  0.00           N  
HETATM   30  C   UNL     1      -6.962   3.648  -1.016  1.00  0.00           C  
HETATM   31  N   UNL     1      -8.163   3.075  -1.074  1.00  0.00           N1+
HETATM   32  N   UNL     1      -6.830   4.947  -1.281  1.00  0.00           N  
HETATM   33  O   UNL     1      -4.434  -2.728   2.168  1.00  0.00           O  
HETATM   34  C   UNL     1      -2.218  -3.253   1.359  1.00  0.00           C  
HETATM   35 CL   UNL     1      -2.396  -5.011   1.718  1.00  0.00          Cl  
HETATM   36  H   UNL     1       2.839   2.347   3.183  1.00  0.00           H  
HETATM   37  H   UNL     1       4.496   2.654   2.611  1.00  0.00           H  
HETATM   38  H   UNL     1       3.305   5.060   3.219  1.00  0.00           H  
HETATM   39  H   UNL     1       3.754   0.158   1.908  1.00  0.00           H  
HETATM   40  H   UNL     1       3.378  -1.245   0.099  1.00  0.00           H  
HETATM   41  H   UNL     1       3.698  -0.201  -2.164  1.00  0.00           H  
HETATM   42  H   UNL     1       3.779   1.394  -1.378  1.00  0.00           H  
HETATM   43  H   UNL     1       5.477  -1.826  -1.864  1.00  0.00           H  
HETATM   44  H   UNL     1       5.674   2.001   0.009  1.00  0.00           H  
HETATM   45  H   UNL     1       7.864  -2.186  -1.379  1.00  0.00           H  
HETATM   46  H   UNL     1       8.061   1.641   0.493  1.00  0.00           H  
HETATM   47  H   UNL     1       9.155  -0.455  -0.196  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.547  -0.138  -2.222  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.486  -2.757  -2.310  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.443  -2.039  -3.581  1.00  0.00           H  
HETATM   51  H   UNL     1       0.391  -3.758  -1.176  1.00  0.00           H  
HETATM   52  H   UNL     1       0.919  -3.899  -2.887  1.00  0.00           H  
HETATM   53  H   UNL     1       2.253  -1.898  -2.764  1.00  0.00           H  
HETATM   54  H   UNL     1       2.507  -2.589  -1.132  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.941  -1.105  -1.473  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.971  -0.634   1.409  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.036  -3.228   0.203  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.199  -1.118  -0.619  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.463  -0.740   1.100  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.229   1.393   0.820  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.966   1.014  -0.899  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.418   0.966  -1.264  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.681   1.344   0.456  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.989   3.321  -0.642  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.258   2.129  -0.880  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.956   5.364  -1.239  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.609   5.475  -1.517  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.096  -2.244   2.934  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.941   3.603  -1.309  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.545  -3.122   0.512  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.808  -2.743   2.231  1.00  0.00           H  
CONECT    1    2    2    3    5                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   36   37                                       
CONECT    4    3   38                                                 
CONECT    5    1    6   39                                            
CONECT    6    5    7    9   40                                       
CONECT    7    6    8    8   16                                       
CONECT    8    7    7                                                 
CONECT    9    6   10   41   42                                       
CONECT   10    9   11   11   12                                       
CONECT   11   10   10   13   43                                       
CONECT   12   10   14   14   44                                       
CONECT   13   11   15   15   45                                       
CONECT   14   12   12   15   46                                       
CONECT   15   13   13   14   47                                       
CONECT   16    7   17   22                                            
CONECT   17   16   18   20   48                                       
CONECT   18   17   19   19   23                                       
CONECT   19   18   18                                                 
CONECT   20   17   21   49   50                                       
CONECT   21   20   22   51   52                                       
CONECT   22   16   21   53   54                                       
CONECT   23   18   24   55                                            
CONECT   24   23   26   25   56                                       
CONECT   25   24   33   34   57                                       
CONECT   26   24   27   58   59                                       
CONECT   27   26   28   60   61                                       
CONECT   28   27   29   62   63                                       
CONECT   29   28   30   64                                            
CONECT   30   29   31   31   32                                       
CONECT   31   30   30   65   69                                       
CONECT   32   30   66   67                                            
CONECT   33   25   68                                                 
CONECT   34   25   70   71   35                                       
CONECT   35   34                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   17                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   31                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
