COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.272  -0.796   6.468  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.173   0.208   7.109  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.245  -0.221   2.657  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.089   0.549   3.123  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.402   1.832   2.395  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.564   1.940   1.136  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.847   3.187   0.426  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.262   3.246   0.034  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.586   4.566  -0.668  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.678   4.792  -1.871  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.215   4.647  -1.469  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.966   3.324  -0.743  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.794   0.319   4.308  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.647  -0.980   4.992  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.806   1.249   4.859  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.855   1.139   6.351  1.00  0.00           C  
HETATM   17  S   UNL     1      -5.813   2.178   7.302  1.00  0.00           S  
HETATM   18  C   UNL     1      -5.319   1.398   8.744  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.441   0.363   8.500  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.880  -0.440   9.542  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.424  -1.092  10.387  1.00  0.00           N  
HETATM   22  N   UNL     1      -5.841   1.888   9.911  1.00  0.00           N  
HETATM   23  C   UNL     1      -6.751   2.967  10.110  1.00  0.00           C  
HETATM   24  O   UNL     1      -7.210   3.636   9.187  1.00  0.00           O  
HETATM   25  C   UNL     1      -7.092   3.273  11.510  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.190   2.606  12.038  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.571   2.845  13.355  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.852   3.749  14.137  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.354   4.184  12.271  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.242   4.862  11.744  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.524   5.766  12.526  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.905   6.005  13.843  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.006   5.340  14.383  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.741   4.427  13.610  1.00  0.00           C  
HETATM   35  H   UNL     1      -2.238  -0.436   6.542  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.330  -1.758   6.988  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.162   2.646   3.080  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.470   1.842   2.179  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.505   1.929   1.413  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.743   1.096   0.463  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.894   3.164   0.926  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.518   2.405  -0.625  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.469   5.396   0.040  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.634   4.566  -0.989  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.918   4.060  -2.653  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.856   5.786  -2.296  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.580   4.705  -2.360  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.930   5.483  -0.818  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.109   2.487  -1.438  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.919   3.302  -0.416  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.895  -1.602   4.496  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.610  -1.498   4.901  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.770   0.966   4.422  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.574   2.274   4.554  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.530   1.404  10.775  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.761   1.899  11.441  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.429   2.328  13.775  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.168   3.920  15.164  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.912   4.703  10.720  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.666   6.284  12.106  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.345   6.709  14.451  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.286   5.543  15.414  1.00  0.00           H  
CONECT    1   14    2   35   36                                       
CONECT    2    1   16   16   19                                       
CONECT    3    4    4                                                 
CONECT    4    3    3   13    5                                       
CONECT    5    4    6   37   38                                       
CONECT    6    5    7   39   40                                       
CONECT    7    6   12    8                                            
CONECT    8    7    9   41   42                                       
CONECT    9    8   10   43   44                                       
CONECT   10    9   11   45   46                                       
CONECT   11   10   12   47   48                                       
CONECT   12    7   11   49   50                                       
CONECT   13    4   14   15                                            
CONECT   14    1   13   51   52                                       
CONECT   15   13   16   53   54                                       
CONECT   16    2    2   15   17                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   19   22                                       
CONECT   19    2   18   18   20                                       
CONECT   20   19   21   21   21                                       
CONECT   21   20   20   20                                            
CONECT   22   18   23   55                                            
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   29   29   26                                       
CONECT   26   25   27   27   56                                       
CONECT   27   26   26   28   57                                       
CONECT   28   27   34   34   58                                       
CONECT   29   25   25   30   34                                       
CONECT   30   29   31   31   59                                       
CONECT   31   30   30   32   60                                       
CONECT   32   31   33   33   61                                       
CONECT   33   32   32   34   62                                       
CONECT   34   28   28   29   33                                       
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   22                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   30                                                      
CONECT   60   31                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
