COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.587   1.357   2.644  1.00  0.00           C  
HETATM    2  C   UNL     1       0.607   0.965   1.165  1.00  0.00           C  
HETATM    3  N   UNL     1       1.992   0.770   0.730  1.00  0.00           N  
HETATM    4  C   UNL     1       2.727   1.826   0.327  1.00  0.00           C  
HETATM    5  C   UNL     1       4.125   1.629  -0.112  1.00  0.00           C  
HETATM    6  C   UNL     1       4.848   2.697  -0.648  1.00  0.00           C  
HETATM    7  C   UNL     1       4.203   4.052  -0.779  1.00  0.00           C  
HETATM    8  C   UNL     1       6.152   2.510  -1.057  1.00  0.00           C  
HETATM    9  C   UNL     1       6.748   1.268  -0.939  1.00  0.00           C  
HETATM   10  C   UNL     1       6.037   0.199  -0.408  1.00  0.00           C  
HETATM   11  N   UNL     1       6.644  -1.054  -0.291  1.00  0.00           N  
HETATM   12  C   UNL     1       8.029  -1.241  -0.729  1.00  0.00           C  
HETATM   13  C   UNL     1       8.379  -2.700  -1.071  1.00  0.00           C  
HETATM   14  N   UNL     1       8.783  -2.832   0.346  1.00  0.00           N  
HETATM   15  C   UNL     1       9.033  -1.373   0.431  1.00  0.00           C  
HETATM   16  C   UNL     1       4.727   0.377   0.012  1.00  0.00           C  
HETATM   17  O   UNL     1       2.240   2.940   0.324  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.165  -0.315   0.975  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.462  -0.274   0.507  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.175  -1.461   0.330  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.565  -1.424  -0.171  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.348  -2.502  -0.374  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.612  -2.216  -0.847  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.867  -0.918  -1.032  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.169  -0.353  -1.539  1.00  0.00           C  
HETATM   26  N   UNL     1      -8.058  -0.077  -0.403  1.00  0.00           N  
HETATM   27  C   UNL     1      -7.593   1.110   0.360  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.861   1.555   1.131  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.995   1.294   0.113  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.424   0.251  -0.866  1.00  0.00           C  
HETATM   31  S   UNL     1      -4.456   0.034  -0.588  1.00  0.00           S  
HETATM   32  C   UNL     1      -1.569  -2.682   0.629  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.271  -2.710   1.096  1.00  0.00           C  
HETATM   34  C   UNL     1       0.431  -1.530   1.264  1.00  0.00           C  
HETATM   35  H   UNL     1       1.145   2.283   2.782  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.443   1.502   2.968  1.00  0.00           H  
HETATM   37  H   UNL     1       1.046   0.565   3.236  1.00  0.00           H  
HETATM   38  H   UNL     1       0.148   1.758   0.573  1.00  0.00           H  
HETATM   39  H   UNL     1       2.380  -0.119   0.732  1.00  0.00           H  
HETATM   40  H   UNL     1       4.276   4.583   0.171  1.00  0.00           H  
HETATM   41  H   UNL     1       4.713   4.624  -1.554  1.00  0.00           H  
HETATM   42  H   UNL     1       3.154   3.931  -1.048  1.00  0.00           H  
HETATM   43  H   UNL     1       6.710   3.338  -1.471  1.00  0.00           H  
HETATM   44  H   UNL     1       7.770   1.129  -1.261  1.00  0.00           H  
HETATM   45  H   UNL     1       6.147  -1.801   0.080  1.00  0.00           H  
HETATM   46  H   UNL     1       8.334  -0.526  -1.493  1.00  0.00           H  
HETATM   47  H   UNL     1       7.515  -3.308  -1.340  1.00  0.00           H  
HETATM   48  H   UNL     1       9.205  -2.800  -1.776  1.00  0.00           H  
HETATM   49  H   UNL     1       7.999  -3.099   0.922  1.00  0.00           H  
HETATM   50  H   UNL     1      10.051  -1.085   0.167  1.00  0.00           H  
HETATM   51  H   UNL     1       8.690  -0.923   1.363  1.00  0.00           H  
HETATM   52  H   UNL     1       4.175  -0.451   0.429  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.924   0.675   0.278  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.012  -3.511  -0.182  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.341  -2.986  -1.054  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.977   0.571  -2.083  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.643  -1.075  -2.204  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.798   0.835   1.053  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.257   1.895  -0.317  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.000   0.949   2.027  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.807   2.613   1.385  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.874   0.895   0.619  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.246   2.212  -0.417  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.384   0.669  -1.872  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.044  -0.645  -0.857  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.116  -3.604   0.495  1.00  0.00           H  
HETATM   67  H   UNL     1       0.198  -3.654   1.328  1.00  0.00           H  
HETATM   68  H   UNL     1       1.447  -1.557   1.630  1.00  0.00           H  
CONECT    1    2   35   36   37                                       
CONECT    2    1    3   18   38                                       
CONECT    3    2    4   39                                            
CONECT    4    3    5   17   17                                       
CONECT    5    4   16   16    6                                       
CONECT    6    5    7    8    8                                       
CONECT    7    6   40   41   42                                       
CONECT    8    6    6    9   43                                       
CONECT    9   10   10    8   44                                       
CONECT   10   16    9    9   11                                       
CONECT   11   12   10   45                                            
CONECT   12   13   15   11   46                                       
CONECT   13   14   12   47   48                                       
CONECT   14   13   15   49                                            
CONECT   15   14   12   50   51                                       
CONECT   16    5    5   10   52                                       
CONECT   17    4    4                                                 
CONECT   18   34    2   19   19                                       
CONECT   19   18   18   20   53                                       
CONECT   20   32   32   19   21                                       
CONECT   21   20   31   22   22                                       
CONECT   22   21   21   23   54                                       
CONECT   23   22   24   24   55                                       
CONECT   24   31   23   23   25                                       
CONECT   25   26   24   56   57                                       
CONECT   26   27   30   25                                            
CONECT   27   28   26   58   59                                       
CONECT   28   27   29   60   61                                       
CONECT   29   28   30   62   63                                       
CONECT   30   29   26   64   65                                       
CONECT   31   21   24                                                 
CONECT   32   33   20   20   66                                       
CONECT   33   34   34   32   67                                       
CONECT   34   33   33   18   68                                       
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   19                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
