COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.338   0.793  -0.327  1.00  0.00           C  
HETATM    2  C   UNL     1       5.111  -0.050  -0.572  1.00  0.00           C  
HETATM    3  C   UNL     1       2.725   0.665   2.003  1.00  0.00           C  
HETATM    4  C   UNL     1       1.551  -1.439   2.665  1.00  0.00           C  
HETATM    5  C   UNL     1       1.582  -2.731   0.017  1.00  0.00           C  
HETATM    6  C   UNL     1       1.586  -2.569  -1.505  1.00  0.00           C  
HETATM    7  C   UNL     1       2.776  -3.328  -2.095  1.00  0.00           C  
HETATM    8  C   UNL     1       2.657  -4.974  -0.220  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.863  -1.627   2.649  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.362   0.252   1.966  1.00  0.00           C  
HETATM   11  C   UNL     1       0.059   2.198  -0.682  1.00  0.00           C  
HETATM   12  C   UNL     1       0.032   2.410   0.610  1.00  0.00           C  
HETATM   13  C   UNL     1       1.318   2.638   1.363  1.00  0.00           C  
HETATM   14  C   UNL     1       4.615   1.238  -0.497  1.00  0.00           C  
HETATM   15  C   UNL     1       5.480   2.303  -0.333  1.00  0.00           C  
HETATM   16  C   UNL     1       6.842   2.081  -0.247  1.00  0.00           C  
HETATM   17  C   UNL     1       8.823   0.551  -0.233  1.00  0.00           C  
HETATM   18  C   UNL     1       6.472  -0.273  -0.486  1.00  0.00           C  
HETATM   19  C   UNL     1       2.364  -0.755   1.563  1.00  0.00           C  
HETATM   20  C   UNL     1       0.392  -1.972   0.607  1.00  0.00           C  
HETATM   21  C   UNL     1       2.661  -4.812  -1.741  1.00  0.00           C  
HETATM   22  C   UNL     1       1.467  -4.215   0.371  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.763  -1.089   1.535  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.323   0.640  -0.561  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.691  -0.692  -0.493  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.027  -1.037  -0.421  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.000  -0.046  -0.417  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.376   0.654  -0.341  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.743  -1.802  -0.273  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.626   1.290  -0.486  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.290   1.629  -0.557  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.284   2.428   1.344  1.00  0.00           C  
HETATM   33  N   UNL     1       2.299   1.609   0.942  1.00  0.00           N  
HETATM   34  N   UNL     1       0.394  -2.119   2.069  1.00  0.00           N  
HETATM   35  N   UNL     1      -2.080   1.255   0.911  1.00  0.00           N  
HETATM   36  N   UNL     1      -8.351  -0.393  -0.345  1.00  0.00           N  
HETATM   37  O   UNL     1       2.718   2.816  -1.169  1.00  0.00           O  
HETATM   38  O   UNL     1       2.316   0.349  -1.179  1.00  0.00           O  
HETATM   39  O   UNL     1      -1.940  -0.053  -1.177  1.00  0.00           O  
HETATM   40  O   UNL     1      -2.564   2.367  -1.239  1.00  0.00           O  
HETATM   41  S   UNL     1       2.879   1.521  -0.606  1.00  0.00           S  
HETATM   42  S   UNL     1      -2.618   1.077  -0.645  1.00  0.00           S  
HETATM   43  H   UNL     1       4.435  -0.883  -0.697  1.00  0.00           H  
HETATM   44  H   UNL     1       2.210   0.902   2.934  1.00  0.00           H  
HETATM   45  H   UNL     1       3.802   0.742   2.151  1.00  0.00           H  
HETATM   46  H   UNL     1       2.177  -2.168   3.179  1.00  0.00           H  
HETATM   47  H   UNL     1       1.205  -0.691   3.378  1.00  0.00           H  
HETATM   48  H   UNL     1       2.508  -2.330   0.428  1.00  0.00           H  
HETATM   49  H   UNL     1       0.660  -2.969  -1.916  1.00  0.00           H  
HETATM   50  H   UNL     1       1.668  -1.511  -1.757  1.00  0.00           H  
HETATM   51  H   UNL     1       2.780  -3.212  -3.179  1.00  0.00           H  
HETATM   52  H   UNL     1       3.703  -2.927  -1.684  1.00  0.00           H  
HETATM   53  H   UNL     1       2.575  -6.031   0.033  1.00  0.00           H  
HETATM   54  H   UNL     1       3.583  -4.573   0.191  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.647  -0.828   3.359  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.370  -2.443   3.163  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.439   0.147   2.093  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.911   0.569   2.906  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.844   1.913  -1.201  1.00  0.00           H  
HETATM   60  H   UNL     1       0.984   2.307  -1.228  1.00  0.00           H  
HETATM   61  H   UNL     1       1.706   3.630   1.132  1.00  0.00           H  
HETATM   62  H   UNL     1       1.135   2.553   2.434  1.00  0.00           H  
HETATM   63  H   UNL     1       5.093   3.310  -0.275  1.00  0.00           H  
HETATM   64  H   UNL     1       7.518   2.913  -0.118  1.00  0.00           H  
HETATM   65  H   UNL     1       9.101   0.399   0.810  1.00  0.00           H  
HETATM   66  H   UNL     1       9.083  -0.336  -0.812  1.00  0.00           H  
HETATM   67  H   UNL     1       9.357   1.414  -0.630  1.00  0.00           H  
HETATM   68  H   UNL     1       6.860  -1.279  -0.544  1.00  0.00           H  
HETATM   69  H   UNL     1       1.773  -0.713   0.649  1.00  0.00           H  
HETATM   70  H   UNL     1       3.276  -1.322   1.380  1.00  0.00           H  
HETATM   71  H   UNL     1       0.469  -0.916   0.348  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.535  -2.378   0.202  1.00  0.00           H  
HETATM   73  H   UNL     1       1.735  -5.212  -2.152  1.00  0.00           H  
HETATM   74  H   UNL     1       3.509  -5.352  -2.161  1.00  0.00           H  
HETATM   75  H   UNL     1       1.463  -4.331   1.455  1.00  0.00           H  
HETATM   76  H   UNL     1       0.540  -4.616  -0.040  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.174  -0.949   0.628  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.566  -1.800   1.341  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.934  -1.462  -0.496  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.313  -2.077  -0.368  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.675   0.874  -1.366  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.243   0.312   0.225  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.974   1.555   0.121  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.796  -2.112   0.771  1.00  0.00           H  
HETATM   85  H   UNL     1      -9.719  -1.932  -0.740  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.006  -2.411  -0.796  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.381   2.063  -0.483  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.998   2.668  -0.611  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.105   2.373   2.418  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.822   3.346   1.109  1.00  0.00           H  
CONECT    1   18   18   16   17                                       
CONECT    2   14   14   18   43                                       
CONECT    3   19   33   44   45                                       
CONECT    4   34   19   46   47                                       
CONECT    5   22    6   20   48                                       
CONECT    6    7    5   49   50                                       
CONECT    7   21    6   51   52                                       
CONECT    8   21   22   53   54                                       
CONECT    9   34   23   55   56                                       
CONECT   10   23   35   57   58                                       
CONECT   11   12   12   59   60                                       
CONECT   12   32   13   11   11                                       
CONECT   13   33   12   61   62                                       
CONECT   14   41    2    2   15                                       
CONECT   15   14   16   16   63                                       
CONECT   16   15   15    1   64                                       
CONECT   17    1   65   66   67                                       
CONECT   18    2    1    1   68                                       
CONECT   19    4    3   69   70                                       
CONECT   20    5   34   71   72                                       
CONECT   21    8    7   73   74                                       
CONECT   22    8    5   75   76                                       
CONECT   23    9   10   77   78                                       
CONECT   24   25   42   31   31                                       
CONECT   25   26   26   24   79                                       
CONECT   26   25   25   27   80                                       
CONECT   27   26   36   30   30                                       
CONECT   28   36   81   82   83                                       
CONECT   29   36   84   85   86                                       
CONECT   30   27   27   31   87                                       
CONECT   31   24   24   30   88                                       
CONECT   32   35   12   89   90                                       
CONECT   33    3   41   13                                            
CONECT   34   20    9    4                                            
CONECT   35   42   10   32                                            
CONECT   36   29   27   28                                            
CONECT   37   41   41                                                 
CONECT   38   41   41                                                 
CONECT   39   42   42                                                 
CONECT   40   42   42                                                 
CONECT   41   37   37   33   38                                       
CONECT   41   38   14                                                 
CONECT   42   40   40   39   39                                       
CONECT   42   24   35                                                 
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   13                                                      
CONECT   62   13                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   21                                                      
CONECT   75   22                                                      
CONECT   76   22                                                      
CONECT   77   23                                                      
CONECT   78   23                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   28                                                      
CONECT   82   28                                                      
CONECT   83   28                                                      
CONECT   84   29                                                      
CONECT   85   29                                                      
CONECT   86   29                                                      
CONECT   87   30                                                      
CONECT   88   31                                                      
CONECT   89   32                                                      
CONECT   90   32                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
