COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.500   1.492  -0.622  1.00  0.00           N  
HETATM    2  C   UNL     1       3.434   1.214   0.154  1.00  0.00           C  
HETATM    3  O   UNL     1       3.486   1.412   1.353  1.00  0.00           O  
HETATM    4  C   UNL     1       4.500   1.155  -2.053  1.00  0.00           C  
HETATM    5  C   UNL     1       5.779   0.372  -2.369  1.00  0.00           C  
HETATM    6  N   UNL     1       6.945   1.139  -1.911  1.00  0.00           N  
HETATM    7  C   UNL     1       8.196   0.505  -2.347  1.00  0.00           C  
HETATM    8  C   UNL     1       6.926   1.318  -0.453  1.00  0.00           C  
HETATM    9  C   UNL     1       5.692   2.146  -0.060  1.00  0.00           C  
HETATM   10  N   UNL     1       2.310   0.716  -0.398  1.00  0.00           N  
HETATM   11  C   UNL     1       1.113   0.523   0.424  1.00  0.00           C  
HETATM   12  C   UNL     1       0.251  -0.551  -0.188  1.00  0.00           C  
HETATM   13  O   UNL     1       0.602  -1.102  -1.210  1.00  0.00           O  
HETATM   14  C   UNL     1       0.324   1.832   0.492  1.00  0.00           C  
HETATM   15  C   UNL     1       1.140   2.873   1.214  1.00  0.00           C  
HETATM   16  C   UNL     1       1.996   3.695   0.505  1.00  0.00           C  
HETATM   17  C   UNL     1       1.028   3.010   2.585  1.00  0.00           C  
HETATM   18  C   UNL     1       2.744   4.650   1.168  1.00  0.00           C  
HETATM   19  C   UNL     1       1.777   3.965   3.248  1.00  0.00           C  
HETATM   20  C   UNL     1       2.637   4.783   2.539  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.724  -0.424  -0.342  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.201  -1.740   0.237  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.748  -1.945  -0.194  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.910  -0.901   0.401  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.264  -3.318   0.279  1.00  0.00           C  
HETATM   26  C   UNL     1       0.145  -3.575  -0.258  1.00  0.00           C  
HETATM   27  C   UNL     1       0.621  -4.927   0.208  1.00  0.00           C  
HETATM   28  C   UNL     1       0.374  -6.049  -0.561  1.00  0.00           C  
HETATM   29  C   UNL     1       0.811  -7.289  -0.133  1.00  0.00           C  
HETATM   30  C   UNL     1       1.495  -7.407   1.062  1.00  0.00           C  
HETATM   31  C   UNL     1       1.743  -6.284   1.830  1.00  0.00           C  
HETATM   32  C   UNL     1       1.310  -5.044   1.401  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.635   3.764  -1.707  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.826   2.583  -2.401  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.464   1.379  -1.827  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.910   1.355  -0.561  1.00  0.00           C  
HETATM   37  S   UNL     1      -5.447  -0.181   0.169  1.00  0.00           S  
HETATM   38  O   UNL     1      -6.293  -1.135  -0.457  1.00  0.00           O  
HETATM   39  O   UNL     1      -5.524   0.060   1.568  1.00  0.00           O  
HETATM   40  C   UNL     1      -5.719   2.535   0.132  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.082   3.740  -0.441  1.00  0.00           C  
HETATM   42  H   UNL     1       3.629   0.543  -2.286  1.00  0.00           H  
HETATM   43  H   UNL     1       4.476   2.070  -2.645  1.00  0.00           H  
HETATM   44  H   UNL     1       5.752  -0.590  -1.856  1.00  0.00           H  
HETATM   45  H   UNL     1       5.850   0.209  -3.444  1.00  0.00           H  
HETATM   46  H   UNL     1       8.217   0.453  -3.435  1.00  0.00           H  
HETATM   47  H   UNL     1       9.044   1.093  -1.995  1.00  0.00           H  
HETATM   48  H   UNL     1       8.257  -0.502  -1.934  1.00  0.00           H  
HETATM   49  H   UNL     1       6.883   0.343   0.033  1.00  0.00           H  
HETATM   50  H   UNL     1       7.829   1.842  -0.139  1.00  0.00           H  
HETATM   51  H   UNL     1       5.780   3.155  -0.464  1.00  0.00           H  
HETATM   52  H   UNL     1       5.609   2.189   1.026  1.00  0.00           H  
HETATM   53  H   UNL     1       2.293   0.486  -1.340  1.00  0.00           H  
HETATM   54  H   UNL     1       1.407   0.223   1.430  1.00  0.00           H  
HETATM   55  H   UNL     1       0.106   2.178  -0.518  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.610   1.666   1.029  1.00  0.00           H  
HETATM   57  H   UNL     1       2.080   3.591  -0.567  1.00  0.00           H  
HETATM   58  H   UNL     1       0.356   2.371   3.139  1.00  0.00           H  
HETATM   59  H   UNL     1       3.414   5.291   0.614  1.00  0.00           H  
HETATM   60  H   UNL     1       1.689   4.072   4.319  1.00  0.00           H  
HETATM   61  H   UNL     1       3.222   5.529   3.057  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.115   0.402   0.027  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.669  -0.458  -1.430  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.256  -1.706   1.325  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.809  -2.566  -0.132  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.680  -1.891  -1.281  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.191  -0.461   1.218  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.248  -3.342   1.368  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.940  -4.088  -0.092  1.00  0.00           H  
HETATM   70  H   UNL     1       0.129  -3.551  -1.348  1.00  0.00           H  
HETATM   71  H   UNL     1       0.821  -2.804   0.112  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.160  -5.957  -1.495  1.00  0.00           H  
HETATM   73  H   UNL     1       0.617  -8.166  -0.733  1.00  0.00           H  
HETATM   74  H   UNL     1       1.836  -8.375   1.396  1.00  0.00           H  
HETATM   75  H   UNL     1       2.277  -6.376   2.764  1.00  0.00           H  
HETATM   76  H   UNL     1       1.507  -4.166   1.999  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.915   4.705  -2.157  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.259   2.602  -3.390  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.613   0.456  -2.369  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.286   2.517   1.122  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.933   4.662   0.101  1.00  0.00           H  
CONECT    1    2    4    9                                            
CONECT    2    1    3    3   10                                       
CONECT    3    2    2                                                 
CONECT    4    1    5   42   43                                       
CONECT    5    4    6   44   45                                       
CONECT    6    5    7    8                                            
CONECT    7    6   46   47   48                                       
CONECT    8    6    9   49   50                                       
CONECT    9    1    8   51   52                                       
CONECT   10    2   11   53                                            
CONECT   11   10   12   14   54                                       
CONECT   12   11   13   13   24                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   55   56                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15   18   57                                       
CONECT   17   15   19   19   58                                       
CONECT   18   16   20   20   59                                       
CONECT   19   17   17   20   60                                       
CONECT   20   18   18   19   61                                       
CONECT   21   22   37   62   63                                       
CONECT   22   21   23   64   65                                       
CONECT   23   22   24   25   66                                       
CONECT   24   12   23   67                                            
CONECT   25   23   26   68   69                                       
CONECT   26   25   27   70   71                                       
CONECT   27   26   28   28   32                                       
CONECT   28   27   27   29   72                                       
CONECT   29   28   30   30   73                                       
CONECT   30   29   29   31   74                                       
CONECT   31   30   32   32   75                                       
CONECT   32   27   31   31   76                                       
CONECT   33   34   34   41   77                                       
CONECT   34   33   33   35   78                                       
CONECT   35   34   36   36   79                                       
CONECT   36   35   35   37   40                                       
CONECT   37   21   36   38   38                                       
CONECT   37   39   39                                                 
CONECT   38   37   37                                                 
CONECT   39   37   37                                                 
CONECT   40   36   41   41   80                                       
CONECT   41   33   40   40   81                                       
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   40                                                      
CONECT   81   41                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
