COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.898  -0.587   1.001  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.808  -3.045  -0.720  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.740  -1.449   2.255  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.824   3.731  -0.202  1.00  0.00           N  
HETATM    5  C   UNL     1      -7.926  -4.363  -0.862  1.00  0.00           C  
HETATM    6  S   UNL     1      -0.368  -0.941  -0.271  1.00  0.00           S  
HETATM    7  C   UNL     1      -1.552  -0.053   0.586  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.145  -4.857  -0.079  1.00  0.00           C  
HETATM    9  C   UNL     1       0.706   0.456  -0.252  1.00  0.00           C  
HETATM   10  C   UNL     1       2.086   0.521  -0.853  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.858  -0.739  -1.523  1.00  0.00           O  
HETATM   12  O   UNL     1      -2.542  -2.749  -0.752  1.00  0.00           O  
HETATM   13  O   UNL     1      -3.778   0.503   1.280  1.00  0.00           O  
HETATM   14  C   UNL     1       3.118   0.092   0.192  1.00  0.00           C  
HETATM   15  C   UNL     1       0.080   1.447   0.390  1.00  0.00           C  
HETATM   16  C   UNL     1       0.702   2.804   0.598  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.947   2.115   1.547  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.758   2.918   0.563  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.148   3.576  -0.487  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.201   4.343  -1.188  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.005   5.147  -2.177  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.146   3.013   0.688  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.027  -3.539   0.062  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.126   1.141   0.824  1.00  0.00           N1+
HETATM   25  N   UNL     1      -2.893   4.272  -1.334  1.00  0.00           N  
HETATM   26  N   UNL     1      -4.805   2.372   1.724  1.00  0.00           N  
HETATM   27  O   UNL     1      -4.968  -2.276   0.143  1.00  0.00           O  
HETATM   28  O   UNL     1       9.039  -0.723   0.880  1.00  0.00           O  
HETATM   29  O   UNL     1       8.454  -2.342  -0.966  1.00  0.00           O  
HETATM   30  O   UNL     1       4.427   0.154  -0.379  1.00  0.00           O  
HETATM   31  O   UNL     1       5.624  -1.598   0.989  1.00  0.00           O  
HETATM   32  O   UNL     1       5.968   0.815   1.647  1.00  0.00           O  
HETATM   33  O   UNL     1       7.031  -0.171  -0.546  1.00  0.00           O  
HETATM   34  O   UNL     1       9.476   0.023  -1.492  1.00  0.00           O  
HETATM   35  P   UNL     1      -3.593  -1.599  -0.348  1.00  0.00           P  
HETATM   36  P   UNL     1       5.760  -0.230   0.440  1.00  0.00           P  
HETATM   37  P   UNL     1       8.512  -0.801  -0.501  1.00  0.00           P  
HETATM   38  H   UNL     1      -5.251  -3.901  -1.102  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.139  -2.425  -1.553  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.423  -0.823   3.089  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.694  -1.919   2.496  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.991  -2.220   2.074  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.369  -5.218  -1.244  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.257  -3.743  -1.695  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.815  -5.477   0.754  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.703  -4.002   0.303  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.786  -5.444  -0.738  1.00  0.00           H  
HETATM   48  H   UNL     1       2.140  -0.147  -1.713  1.00  0.00           H  
HETATM   49  H   UNL     1       2.295   1.542  -1.173  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.321  -3.352  -0.028  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.066   0.988   0.494  1.00  0.00           H  
HETATM   52  H   UNL     1       3.065   0.760   1.051  1.00  0.00           H  
HETATM   53  H   UNL     1       2.909  -0.929   0.511  1.00  0.00           H  
HETATM   54  H   UNL     1       0.535   3.420  -0.286  1.00  0.00           H  
HETATM   55  H   UNL     1       0.248   3.283   1.465  1.00  0.00           H  
HETATM   56  H   UNL     1       1.773   2.691   0.764  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.301   2.784   2.116  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.618   1.591   2.228  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.077   3.525  -0.616  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.088   6.176  -1.827  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.509   5.132  -3.147  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.002   4.715  -2.272  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.697  -4.160   0.896  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.585  -2.684   0.445  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.771   2.295   1.711  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.299   1.999   2.464  1.00  0.00           H  
HETATM   67  H   UNL     1       8.117  -2.469  -1.864  1.00  0.00           H  
HETATM   68  H   UNL     1       6.064   1.733   1.360  1.00  0.00           H  
HETATM   69  H   UNL     1      10.387  -0.302  -1.515  1.00  0.00           H  
CONECT    1   13   35    3    7                                       
CONECT    2   23   27   38   39                                       
CONECT    3    1   40   41   42                                       
CONECT    4   20   20   22                                            
CONECT    5    8   23   43   44                                       
CONECT    6    7    9                                                 
CONECT    7    1   24   24    6                                       
CONECT    8    5   45   46   47                                       
CONECT    9   15   15    6   10                                       
CONECT   10    9   14   48   49                                       
CONECT   11   35   35                                                 
CONECT   12   35   50                                                 
CONECT   13    1   51                                                 
CONECT   14   10   30   52   53                                       
CONECT   15   24   16    9    9                                       
CONECT   16   15   54   55   56                                       
CONECT   17   18   24   57   58                                       
CONECT   18   22   22   19   17                                       
CONECT   19   25   25   18   59                                       
CONECT   20   21    4    4   25                                       
CONECT   21   20   60   61   62                                       
CONECT   22    4   26   18   18                                       
CONECT   23    5    2   63   64                                       
CONECT   24   17    7    7   15                                       
CONECT   25   20   19   19                                            
CONECT   26   22   65   66                                            
CONECT   27    2   35                                                 
CONECT   28   37   37                                                 
CONECT   29   37   67                                                 
CONECT   30   14   36                                                 
CONECT   31   36   36                                                 
CONECT   32   36   68                                                 
CONECT   33   36   37                                                 
CONECT   34   37   69                                                 
CONECT   35   27   11   11    1                                       
CONECT   35   12                                                      
CONECT   36   30   31   31   33                                       
CONECT   36   32                                                      
CONECT   37   28   28   33   34                                       
CONECT   37   29                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   19                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   29                                                      
CONECT   68   32                                                      
CONECT   69   34                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
