COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.482  -1.102   0.390  1.00  0.00           N  
HETATM    2  N   UNL     1       2.372  -3.468  -1.365  1.00  0.00           N  
HETATM    3  C   UNL     1       4.968   0.437   0.239  1.00  0.00           C  
HETATM    4  C   UNL     1       3.866  -0.503  -0.063  1.00  0.00           C  
HETATM    5  C   UNL     1       2.564  -0.315   0.267  1.00  0.00           C  
HETATM    6  C   UNL     1       1.834  -1.481  -0.220  1.00  0.00           C  
HETATM    7  C   UNL     1       0.491  -1.890  -0.199  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.786  -0.350   0.514  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.487   1.843   0.732  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.959  -0.296  -0.209  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.269   3.366  -0.218  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.184  -3.691   1.481  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.800  -1.724   2.892  1.00  0.00           C  
HETATM   14  C   UNL     1       1.103  -3.811  -1.321  1.00  0.00           C  
HETATM   15  C   UNL     1       4.876   1.630   0.886  1.00  0.00           C  
HETATM   16  O   UNL     1      -6.894  -0.432  -0.811  1.00  0.00           O  
HETATM   17  S   UNL     1      -6.267   0.811  -1.095  1.00  0.00           S  
HETATM   18  O   UNL     1      -5.806   1.118  -2.404  1.00  0.00           O  
HETATM   19  C   UNL     1      -7.236   2.189  -0.414  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.341   3.058   0.944  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.296   1.786   1.455  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.453   0.701   1.348  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.804   0.800  -0.106  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.878  -1.547   0.401  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.107  -2.476   1.596  1.00  0.00           C  
HETATM   26  N   UNL     1       0.178  -3.055  -0.758  1.00  0.00           N  
HETATM   27  C   UNL     1       2.786  -2.320  -0.831  1.00  0.00           C  
HETATM   28  N   UNL     1       4.004  -1.705  -0.722  1.00  0.00           N  
HETATM   29  C   UNL     1       6.389   0.273  -0.092  1.00  0.00           C  
HETATM   30  O   UNL     1       6.101   2.171   0.955  1.00  0.00           O  
HETATM   31  C   UNL     1       7.008   1.370   0.376  1.00  0.00           C  
HETATM   32  C   UNL     1       8.484   1.653   0.270  1.00  0.00           C  
HETATM   33  N   UNL     1       8.756   2.379  -0.978  1.00  0.00           N  
HETATM   34  C   UNL     1      10.188   2.673  -1.115  1.00  0.00           C  
HETATM   35  H   UNL     1      -0.239  -0.256   0.798  1.00  0.00           H  
HETATM   36  H   UNL     1       2.147   0.534   0.789  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.223  -1.115  -0.862  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.681   3.510  -1.125  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.835   4.272  -0.003  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.348  -4.353   2.332  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.403  -4.227   0.557  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.146  -3.360   1.472  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.762  -1.392   2.884  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.457  -0.858   2.974  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.963  -2.385   3.743  1.00  0.00           H  
HETATM   46  H   UNL     1       0.805  -4.750  -1.764  1.00  0.00           H  
HETATM   47  H   UNL     1       3.969   2.068   1.277  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.669   1.901   0.544  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.026   2.469  -1.111  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.943   2.908   1.840  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.690   3.917   1.106  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.030   2.604   2.108  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.534   0.672   1.915  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.096  -2.083  -0.522  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.145  -2.807   1.605  1.00  0.00           H  
HETATM   56  H   UNL     1       4.841  -2.062  -1.059  1.00  0.00           H  
HETATM   57  H   UNL     1       6.844  -0.560  -0.606  1.00  0.00           H  
HETATM   58  H   UNL     1       8.800   2.259   1.119  1.00  0.00           H  
HETATM   59  H   UNL     1       9.035   0.713   0.270  1.00  0.00           H  
HETATM   60  H   UNL     1       8.206   3.224  -1.031  1.00  0.00           H  
HETATM   61  H   UNL     1      10.516   3.287  -0.275  1.00  0.00           H  
HETATM   62  H   UNL     1      10.751   1.740  -1.124  1.00  0.00           H  
HETATM   63  H   UNL     1      10.361   3.211  -2.047  1.00  0.00           H  
CONECT    1    7   24   35                                            
CONECT    2   14   27   27                                            
CONECT    3   29    4   15   15                                       
CONECT    4    3    5    5   28                                       
CONECT    5    4    4    6   36                                       
CONECT    6    5    7    7   27                                       
CONECT    7    6    6    1   26                                       
CONECT    8   24   22   22   10                                       
CONECT    9   21   21   23   20                                       
CONECT   10   23   23    8   37                                       
CONECT   11   19   20   38   39                                       
CONECT   12   25   40   41   42                                       
CONECT   13   25   43   44   45                                       
CONECT   14   26   26    2   46                                       
CONECT   15    3    3   30   47                                       
CONECT   16   17   17                                                 
CONECT   17   23   18   18   16                                       
CONECT   17   16   19                                                 
CONECT   18   17   17                                                 
CONECT   19   17   11   48   49                                       
CONECT   20   11    9   50   51                                       
CONECT   21   22    9    9   52                                       
CONECT   22    8    8   21   53                                       
CONECT   23    9   10   10   17                                       
CONECT   24    1    8   25   54                                       
CONECT   25   24   12   13   55                                       
CONECT   26    7   14   14                                            
CONECT   27    2    2    6   28                                       
CONECT   28   27    4   56                                            
CONECT   29   31   31    3   57                                       
CONECT   30   15   31                                                 
CONECT   31   32   29   29   30                                       
CONECT   32   33   31   58   59                                       
CONECT   33   34   32   60                                            
CONECT   34   33   61   62   63                                       
CONECT   35    1                                                      
CONECT   36    5                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   32                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
CONECT   61   34                                                      
CONECT   62   34                                                      
CONECT   63   34                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
