COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.583   1.601  -0.025  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.691   3.349  -1.067  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.825   1.052   0.368  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.192  -0.072   1.083  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.264  -1.096   1.683  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.586  -0.076   1.143  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.037   1.021   0.479  1.00  0.00           C  
HETATM    8  C   UNL     1       1.064   3.561  -0.560  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.144   2.938  -0.309  1.00  0.00           C  
HETATM   10  C   UNL     1       1.004   0.882   0.177  1.00  0.00           C  
HETATM   11  C   UNL     1       2.222   1.508  -0.086  1.00  0.00           C  
HETATM   12  C   UNL     1       2.245   2.855  -0.450  1.00  0.00           C  
HETATM   13  C   UNL     1       5.753  -0.164   0.123  1.00  0.00           C  
HETATM   14  C   UNL     1       7.216  -0.527   0.121  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.191  -3.485  -1.227  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.773  -2.728  -0.032  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.649  -2.814   1.131  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.566   2.724  -0.724  1.00  0.00           N  
HETATM   19  N   UNL     1      -4.869   2.897  -0.737  1.00  0.00           N  
HETATM   20  N   UNL     1      -4.984   1.712   0.005  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.178   1.598   0.060  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.401   0.975   0.322  1.00  0.00           N  
HETATM   23  S   UNL     1       5.110   1.380  -0.248  1.00  0.00           S  
HETATM   24  C   UNL     1       3.486   0.749   0.032  1.00  0.00           C  
HETATM   25  N   UNL     1       3.604  -0.509   0.363  1.00  0.00           N  
HETATM   26  N   UNL     1       4.779  -0.968   0.401  1.00  0.00           N  
HETATM   27  N   UNL     1      -2.714  -1.944   0.616  1.00  0.00           N  
HETATM   28  C   UNL     1      -1.003  -3.573  -0.030  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.070  -4.409  -0.743  1.00  0.00           C  
HETATM   30  N   UNL     1      -1.468  -5.095  -1.894  1.00  0.00           N  
HETATM   31  C   UNL     1       7.626  -1.000   1.517  1.00  0.00           C  
HETATM   32  C   UNL     1       7.461  -1.648  -0.890  1.00  0.00           C  
HETATM   33  H   UNL     1      -3.625   4.264  -1.638  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.449  -0.590   2.200  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.815  -1.715   2.391  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.199  -0.819   1.631  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.074   1.294   0.352  1.00  0.00           H  
HETATM   38  H   UNL     1       1.083   4.602  -0.846  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.066   3.494  -0.400  1.00  0.00           H  
HETATM   40  H   UNL     1       0.980  -0.159   0.463  1.00  0.00           H  
HETATM   41  H   UNL     1       3.187   3.345  -0.647  1.00  0.00           H  
HETATM   42  H   UNL     1       7.807   0.347  -0.155  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.974  -4.079  -1.699  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.790  -2.773  -1.949  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.562  -2.059  -0.375  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.187  -3.440   0.683  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.895  -2.207   1.632  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.072  -3.525   1.840  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.421   0.104   0.748  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.568  -2.863  -0.733  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.223  -4.231   0.354  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.478  -5.146  -0.052  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.153  -5.653  -2.382  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.028  -4.435  -2.519  1.00  0.00           H  
HETATM   55  H   UNL     1       8.684  -1.262   1.516  1.00  0.00           H  
HETATM   56  H   UNL     1       7.451  -0.201   2.238  1.00  0.00           H  
HETATM   57  H   UNL     1       7.035  -1.873   1.793  1.00  0.00           H  
HETATM   58  H   UNL     1       7.169  -1.311  -1.885  1.00  0.00           H  
HETATM   59  H   UNL     1       8.519  -1.911  -0.892  1.00  0.00           H  
HETATM   60  H   UNL     1       6.870  -2.522  -0.614  1.00  0.00           H  
CONECT    1   22    3   18   18                                       
CONECT    2   18   19   19   33                                       
CONECT    3    1    4    4   20                                       
CONECT    4    5    3    3    6                                       
CONECT    5   27    4   34   35                                       
CONECT    6    4    7    7   36                                       
CONECT    7    6    6   20   37                                       
CONECT    8   12    9    9   38                                       
CONECT    9    8    8   21   39                                       
CONECT   10   11   21   21   40                                       
CONECT   11   24   12   12   10                                       
CONECT   12   11   11    8   41                                       
CONECT   13   14   26   26   23                                       
CONECT   14   32   31   13   42                                       
CONECT   15   29   16   43   44                                       
CONECT   16   27   15   45   46                                       
CONECT   17   28   27   47   48                                       
CONECT   18    1    1    2                                            
CONECT   19    2    2   20                                            
CONECT   20    3    7   19                                            
CONECT   21   10   10    9   22                                       
CONECT   22   21    1   49                                            
CONECT   23   13   24                                                 
CONECT   24   25   25   23   11                                       
CONECT   25   26   24   24                                            
CONECT   26   13   13   25                                            
CONECT   27   17    5   16                                            
CONECT   28   17   29   50   51                                       
CONECT   29   28   30   15   52                                       
CONECT   30   29   53   54                                            
CONECT   31   14   55   56   57                                       
CONECT   32   14   58   59   60                                       
CONECT   33    2                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   22                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
CONECT   59   32                                                      
CONECT   60   32                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
