COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.134  -1.370   0.059  1.00  0.00           C  
HETATM    2  C   UNL     1       0.318  -1.667   0.041  1.00  0.00           C  
HETATM    3  C   UNL     1       2.040  -3.201   0.025  1.00  0.00           C  
HETATM    4  C   UNL     1       2.668  -5.324  -1.731  1.00  0.00           C  
HETATM    5  O   UNL     1       3.851  -4.853   0.614  1.00  0.00           O  
HETATM    6  O   UNL     1       1.486  -5.581   0.647  1.00  0.00           O  
HETATM    7  C   UNL     1       2.605  -0.966   0.015  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.535   2.007  -1.074  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.492   2.416   0.159  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.085   0.942   0.147  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.559   0.834   0.130  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.848  -0.815   0.103  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.410  -2.133   0.091  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.060  -2.412   0.075  1.00  0.00           C  
HETATM   15  C   UNL     1       3.178   1.436   0.004  1.00  0.00           C  
HETATM   16  C   UNL     1       4.429   2.316  -0.016  1.00  0.00           C  
HETATM   17  C   UNL     1       4.016   3.789  -0.011  1.00  0.00           C  
HETATM   18  C   UNL     1       5.488   5.601  -0.929  1.00  0.00           C  
HETATM   19  C   UNL     1       6.682   6.145  -0.597  1.00  0.00           C  
HETATM   20  C   UNL     1       7.155   5.484   0.541  1.00  0.00           C  
HETATM   21  C   UNL     1       1.252  -0.633   0.031  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.577  -0.048   0.065  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.928   0.225   0.087  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.385   3.902   0.425  1.00  0.00           C  
HETATM   25  N   UNL     1      -8.957   2.519   0.176  1.00  0.00           N  
HETATM   26  N   UNL     1       0.752  -2.929   0.041  1.00  0.00           N  
HETATM   27  N   UNL     1       2.953  -2.251   0.010  1.00  0.00           N  
HETATM   28  N   UNL     1       3.573   0.025  -0.001  1.00  0.00           N  
HETATM   29  N   UNL     1       5.213   4.633  -0.030  1.00  0.00           N  
HETATM   30  N   UNL     1       6.277   4.575   0.880  1.00  0.00           N  
HETATM   31  O   UNL     1      -5.178  -0.543   0.119  1.00  0.00           O  
HETATM   32  S   UNL     1       2.558  -4.885   0.025  1.00  0.00           S  
HETATM   33  H   UNL     1       3.393  -4.675  -2.223  1.00  0.00           H  
HETATM   34  H   UNL     1       2.987  -6.362  -1.826  1.00  0.00           H  
HETATM   35  H   UNL     1       1.692  -5.199  -2.199  1.00  0.00           H  
HETATM   36  H   UNL     1      -9.209   2.630  -1.907  1.00  0.00           H  
HETATM   37  H   UNL     1      -9.203   0.982  -1.235  1.00  0.00           H  
HETATM   38  H   UNL     1     -10.623   2.030  -1.008  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.084   2.899   1.047  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.103   2.908  -0.733  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.474   0.450   1.039  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.493   0.459  -0.741  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.170   1.326  -0.762  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.150   1.317   1.018  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.128  -2.940   0.104  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.720  -3.438   0.074  1.00  0.00           H  
HETATM   47  H   UNL     1       2.599   1.647   0.903  1.00  0.00           H  
HETATM   48  H   UNL     1       2.571   1.646  -0.877  1.00  0.00           H  
HETATM   49  H   UNL     1       5.035   2.106   0.865  1.00  0.00           H  
HETATM   50  H   UNL     1       5.008   2.104  -0.915  1.00  0.00           H  
HETATM   51  H   UNL     1       3.409   4.000  -0.891  1.00  0.00           H  
HETATM   52  H   UNL     1       3.437   4.001   0.888  1.00  0.00           H  
HETATM   53  H   UNL     1       4.865   5.892  -1.762  1.00  0.00           H  
HETATM   54  H   UNL     1       7.181   6.949  -1.118  1.00  0.00           H  
HETATM   55  H   UNL     1       8.084   5.688   1.052  1.00  0.00           H  
HETATM   56  H   UNL     1       0.935   0.400   0.035  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.862   0.762   0.053  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.271   1.249   0.096  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.474   3.950   0.433  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.000   4.233   1.390  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.998   4.550  -0.361  1.00  0.00           H  
HETATM   62  H   UNL     1       4.513  -0.215  -0.015  1.00  0.00           H  
CONECT    1   22   22   14    2                                       
CONECT    2    1   21   21   26                                       
CONECT    3   26   26   27   32                                       
CONECT    4   32   33   34   35                                       
CONECT    5   32   32                                                 
CONECT    6   32   32                                                 
CONECT    7   21   28   27   27                                       
CONECT    8   25   36   37   38                                       
CONECT    9   25   10   39   40                                       
CONECT   10    9   11   41   42                                       
CONECT   11   10   31   43   44                                       
CONECT   12   31   23   23   13                                       
CONECT   13   12   14   14   45                                       
CONECT   14   13   13    1   46                                       
CONECT   15   16   28   47   48                                       
CONECT   16   17   15   49   50                                       
CONECT   17   29   16   51   52                                       
CONECT   18   29   19   19   53                                       
CONECT   19   20   18   18   54                                       
CONECT   20   30   30   19   55                                       
CONECT   21    2    2    7   56                                       
CONECT   22   23    1    1   57                                       
CONECT   23   12   12   22   58                                       
CONECT   24   25   59   60   61                                       
CONECT   25   24    8    9                                            
CONECT   26    2    3    3                                            
CONECT   27    7    7    3                                            
CONECT   28   15    7   62                                            
CONECT   29   30   17   18                                            
CONECT   30   20   20   29                                            
CONECT   31   11   12                                                 
CONECT   32    3    4    6    6                                       
CONECT   32    5    5                                                 
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   28                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
