COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      10.985  -0.454  -0.210  1.00  0.00           O  
HETATM    2  C   UNL     1      11.286  -0.583   0.958  1.00  0.00           C  
HETATM    3  C   UNL     1      12.594  -0.030   1.464  1.00  0.00           C  
HETATM    4  C   UNL     1      13.344   0.640   0.311  1.00  0.00           C  
HETATM    5  C   UNL     1      14.672   1.201   0.825  1.00  0.00           C  
HETATM    6  C   UNL     1      15.423   1.870  -0.328  1.00  0.00           C  
HETATM    7  C   UNL     1      16.750   2.432   0.186  1.00  0.00           C  
HETATM    8  C   UNL     1      17.501   3.101  -0.967  1.00  0.00           C  
HETATM    9  C   UNL     1      18.828   3.663  -0.453  1.00  0.00           C  
HETATM   10  C   UNL     1      19.579   4.332  -1.606  1.00  0.00           C  
HETATM   11  C   UNL     1      20.906   4.894  -1.092  1.00  0.00           C  
HETATM   12  C   UNL     1      21.657   5.563  -2.245  1.00  0.00           C  
HETATM   13  S   UNL     1      10.223  -1.386   2.033  1.00  0.00           S  
HETATM   14  C   UNL     1       8.878  -1.799   0.895  1.00  0.00           C  
HETATM   15  C   UNL     1       7.778  -2.545   1.653  1.00  0.00           C  
HETATM   16  N   UNL     1       6.689  -2.878   0.732  1.00  0.00           N  
HETATM   17  C   UNL     1       5.605  -3.541   1.182  1.00  0.00           C  
HETATM   18  O   UNL     1       5.532  -3.862   2.350  1.00  0.00           O  
HETATM   19  C   UNL     1       4.485  -3.885   0.235  1.00  0.00           C  
HETATM   20  C   UNL     1       3.386  -4.630   0.993  1.00  0.00           C  
HETATM   21  N   UNL     1       2.296  -4.964   0.072  1.00  0.00           N  
HETATM   22  C   UNL     1       1.213  -5.627   0.522  1.00  0.00           C  
HETATM   23  O   UNL     1       1.179  -6.029   1.666  1.00  0.00           O  
HETATM   24  C   UNL     1       0.042  -5.869  -0.396  1.00  0.00           C  
HETATM   25  O   UNL     1       0.418  -5.556  -1.739  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.129  -4.980   0.026  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.628  -5.415   1.406  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.668  -3.523   0.086  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.264  -5.115  -0.992  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.358  -4.285  -0.598  1.00  0.00           O  
HETATM   31  P   UNL     1      -4.726  -4.178  -1.440  1.00  0.00           P  
HETATM   32  O   UNL     1      -5.479  -5.602  -1.423  1.00  0.00           O  
HETATM   33  O   UNL     1      -4.417  -3.800  -2.837  1.00  0.00           O  
HETATM   34  O   UNL     1      -5.678  -3.060  -0.779  1.00  0.00           O  
HETATM   35  P   UNL     1      -6.989  -2.271  -1.279  1.00  0.00           P  
HETATM   36  O   UNL     1      -8.283  -3.213  -1.101  1.00  0.00           O  
HETATM   37  O   UNL     1      -6.834  -1.909  -2.705  1.00  0.00           O  
HETATM   38  O   UNL     1      -7.176  -0.932  -0.403  1.00  0.00           O  
HETATM   39  C   UNL     1      -8.190   0.038  -0.671  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.086   1.178   0.344  1.00  0.00           C  
HETATM   41  C   UNL     1      -9.241   2.175   0.131  1.00  0.00           C  
HETATM   42  O   UNL     1     -10.047   2.267   1.308  1.00  0.00           O  
HETATM   43  P   UNL     1     -11.615   1.905   1.328  1.00  0.00           P  
HETATM   44  O   UNL     1     -11.809   0.337   1.019  1.00  0.00           O  
HETATM   45  O   UNL     1     -12.226   2.246   2.778  1.00  0.00           O  
HETATM   46  O   UNL     1     -12.318   2.701   0.297  1.00  0.00           O  
HETATM   47  C   UNL     1      -8.533   3.523  -0.150  1.00  0.00           C  
HETATM   48  O   UNL     1      -9.198   4.597   0.516  1.00  0.00           O  
HETATM   49  O   UNL     1      -6.858   1.898   0.146  1.00  0.00           O  
HETATM   50  C   UNL     1      -7.127   3.282   0.457  1.00  0.00           C  
HETATM   51  N   UNL     1      -6.135   4.155  -0.178  1.00  0.00           N  
HETATM   52  C   UNL     1      -5.846   5.448   0.178  1.00  0.00           C  
HETATM   53  N   UNL     1      -6.293   6.288   1.105  1.00  0.00           N  
HETATM   54  C   UNL     1      -5.327   3.828  -1.225  1.00  0.00           C  
HETATM   55  N   UNL     1      -4.568   4.840  -1.534  1.00  0.00           N  
HETATM   56  C   UNL     1      -4.839   5.876  -0.703  1.00  0.00           C  
HETATM   57  C   UNL     1      -4.346   7.184  -0.563  1.00  0.00           C  
HETATM   58  N   UNL     1      -3.355   7.662  -1.402  1.00  0.00           N  
HETATM   59  N   UNL     1      -4.855   7.953   0.395  1.00  0.00           N  
HETATM   60  C   UNL     1      -5.801   7.506   1.200  1.00  0.00           C  
HETATM   61  H   UNL     1      12.399   0.704   2.246  1.00  0.00           H  
HETATM   62  H   UNL     1      13.198  -0.841   1.869  1.00  0.00           H  
HETATM   63  H   UNL     1      13.539  -0.095  -0.471  1.00  0.00           H  
HETATM   64  H   UNL     1      12.740   1.451  -0.094  1.00  0.00           H  
HETATM   65  H   UNL     1      14.477   1.935   1.607  1.00  0.00           H  
HETATM   66  H   UNL     1      15.277   0.390   1.230  1.00  0.00           H  
HETATM   67  H   UNL     1      15.617   1.136  -1.110  1.00  0.00           H  
HETATM   68  H   UNL     1      14.818   2.681  -0.733  1.00  0.00           H  
HETATM   69  H   UNL     1      16.556   3.166   0.968  1.00  0.00           H  
HETATM   70  H   UNL     1      17.355   1.621   0.591  1.00  0.00           H  
HETATM   71  H   UNL     1      17.695   2.367  -1.749  1.00  0.00           H  
HETATM   72  H   UNL     1      18.634   4.397   0.329  1.00  0.00           H  
HETATM   73  H   UNL     1      19.774   3.598  -2.388  1.00  0.00           H  
HETATM   74  H   UNL     1      18.974   5.143  -2.011  1.00  0.00           H  
HETATM   75  H   UNL     1      20.712   5.628  -0.310  1.00  0.00           H  
HETATM   76  H   UNL     1      21.511   4.082  -0.687  1.00  0.00           H  
HETATM   77  H   UNL     1      22.603   5.963  -1.879  1.00  0.00           H  
HETATM   78  H   UNL     1      21.852   4.829  -3.027  1.00  0.00           H  
HETATM   79  H   UNL     1      21.052   6.374  -2.650  1.00  0.00           H  
HETATM   80  H   UNL     1       8.468  -0.883   0.469  1.00  0.00           H  
HETATM   81  H   UNL     1       9.260  -2.432   0.094  1.00  0.00           H  
HETATM   82  H   UNL     1       8.188  -3.461   2.079  1.00  0.00           H  
HETATM   83  H   UNL     1       7.396  -1.911   2.454  1.00  0.00           H  
HETATM   84  H   UNL     1       6.748  -2.622  -0.201  1.00  0.00           H  
HETATM   85  H   UNL     1       4.075  -2.968  -0.191  1.00  0.00           H  
HETATM   86  H   UNL     1       4.867  -4.518  -0.566  1.00  0.00           H  
HETATM   87  H   UNL     1       3.795  -5.546   1.419  1.00  0.00           H  
HETATM   88  H   UNL     1       3.003  -3.997   1.794  1.00  0.00           H  
HETATM   89  H   UNL     1       2.355  -4.708  -0.862  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.256  -6.916  -0.337  1.00  0.00           H  
HETATM   91  H   UNL     1       0.696  -4.638  -1.866  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.844  -5.246   2.145  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.510  -4.834   1.673  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.883  -6.474   1.383  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.313  -3.213  -0.897  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.503  -2.889   0.387  1.00  0.00           H  
HETATM   97  H   UNL     1       0.140  -3.427   0.811  1.00  0.00           H  
HETATM   98  H   UNL     1      -1.909  -4.805  -1.975  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.592  -6.153  -1.035  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.712  -5.912  -0.538  1.00  0.00           H  
HETATM  101  H   UNL     1      -8.446  -3.489  -0.189  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.057   0.434  -1.678  1.00  0.00           H  
HETATM  103  H   UNL     1      -9.171  -0.431  -0.592  1.00  0.00           H  
HETATM  104  H   UNL     1      -8.122   0.776   1.357  1.00  0.00           H  
HETATM  105  H   UNL     1      -9.849   1.879  -0.724  1.00  0.00           H  
HETATM  106  H   UNL     1     -11.374  -0.246   1.656  1.00  0.00           H  
HETATM  107  H   UNL     1     -13.170   2.053   2.862  1.00  0.00           H  
HETATM  108  H   UNL     1      -8.467   3.712  -1.221  1.00  0.00           H  
HETATM  109  H   UNL     1      -8.791   5.463   0.371  1.00  0.00           H  
HETATM  110  H   UNL     1      -7.141   3.440   1.535  1.00  0.00           H  
HETATM  111  H   UNL     1      -5.317   2.871  -1.726  1.00  0.00           H  
HETATM  112  H   UNL     1      -2.992   7.091  -2.097  1.00  0.00           H  
HETATM  113  H   UNL     1      -3.023   8.567  -1.295  1.00  0.00           H  
HETATM  114  H   UNL     1      -6.187   8.164   1.964  1.00  0.00           H  
HETATM  115  H   UNL     1      16.896   3.912  -1.372  1.00  0.00           H  
HETATM  116  H   UNL     1      19.433   2.852  -0.048  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   13    3                                       
CONECT    3    2    4   61   62                                       
CONECT    4    5    3   63   64                                       
CONECT    5    6    4   65   66                                       
CONECT    6    7    5   67   68                                       
CONECT    7    8    6   69   70                                       
CONECT    8    9    7   71  115                                       
CONECT    9    8   10   72  116                                       
CONECT   10    9   11   73   74                                       
CONECT   11   12   10   75   76                                       
CONECT   12   11   77   78   79                                       
CONECT   13   14    2                                                 
CONECT   14   15   13   80   81                                       
CONECT   15   16   14   82   83                                       
CONECT   16   17   15   84                                            
CONECT   17   18   18   19   16                                       
CONECT   18   17   17                                                 
CONECT   19   20   17   85   86                                       
CONECT   20   21   19   87   88                                       
CONECT   21   22   20   89                                            
CONECT   22   24   23   23   21                                       
CONECT   23   22   22                                                 
CONECT   24   25   26   22   90                                       
CONECT   25   24   91                                                 
CONECT   26   28   29   24   27                                       
CONECT   27   26   92   93   94                                       
CONECT   28   26   95   96   97                                       
CONECT   29   26   30   98   99                                       
CONECT   30   29   31                                                 
CONECT   31   34   33   33   32                                       
CONECT   31   30                                                      
CONECT   32   31  100                                                 
CONECT   33   31   31                                                 
CONECT   34   35   31                                                 
CONECT   35   37   37   36   38                                       
CONECT   35   34                                                      
CONECT   36   35  101                                                 
CONECT   37   35   35                                                 
CONECT   38   35   39                                                 
CONECT   39   38   40  102  103                                       
CONECT   40   41   49   39  104                                       
CONECT   41   47   42   40  105                                       
CONECT   42   43   41                                                 
CONECT   43   46   46   44   45                                       
CONECT   43   42                                                      
CONECT   44   43  106                                                 
CONECT   45   43  107                                                 
CONECT   46   43   43                                                 
CONECT   47   48   41   50  108                                       
CONECT   48   47  109                                                 
CONECT   49   50   40                                                 
CONECT   50   47   51   49  110                                       
CONECT   51   52   50   54                                            
CONECT   52   53   53   56   51                                       
CONECT   53   60   52   52                                            
CONECT   54   51   55   55  111                                       
CONECT   55   56   54   54                                            
CONECT   56   57   57   52   55                                       
CONECT   57   59   58   56   56                                       
CONECT   58   57  112  113                                            
CONECT   59   60   60   57                                            
CONECT   60   59   59   53  114                                       
CONECT   61    3                                                      
CONECT   62    3                                                      
CONECT   63    4                                                      
CONECT   64    4                                                      
CONECT   65    5                                                      
CONECT   66    5                                                      
CONECT   67    6                                                      
CONECT   68    6                                                      
CONECT   69    7                                                      
CONECT   70    7                                                      
CONECT   71    8                                                      
CONECT   72    9                                                      
CONECT   73   10                                                      
CONECT   74   10                                                      
CONECT   75   11                                                      
CONECT   76   11                                                      
CONECT   77   12                                                      
CONECT   78   12                                                      
CONECT   79   12                                                      
CONECT   80   14                                                      
CONECT   81   14                                                      
CONECT   82   15                                                      
CONECT   83   15                                                      
CONECT   84   16                                                      
CONECT   85   19                                                      
CONECT   86   19                                                      
CONECT   87   20                                                      
CONECT   88   20                                                      
CONECT   89   21                                                      
CONECT   90   24                                                      
CONECT   91   25                                                      
CONECT   92   27                                                      
CONECT   93   27                                                      
CONECT   94   27                                                      
CONECT   95   28                                                      
CONECT   96   28                                                      
CONECT   97   28                                                      
CONECT   98   29                                                      
CONECT   99   29                                                      
CONECT  100   32                                                      
CONECT  101   36                                                      
CONECT  102   39                                                      
CONECT  103   39                                                      
CONECT  104   40                                                      
CONECT  105   41                                                      
CONECT  106   44                                                      
CONECT  107   45                                                      
CONECT  108   47                                                      
CONECT  109   48                                                      
CONECT  110   50                                                      
CONECT  111   54                                                      
CONECT  112   58                                                      
CONECT  113   58                                                      
CONECT  114   60                                                      
CONECT  115    8                                                      
CONECT  116    9                                                      
MASTER        0    0    0    0    0    0    0    0  116    0  116    0
END
