COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      12.867   4.214   3.500  1.00  0.00           O  
HETATM    2  C   UNL     1      13.624   3.588   2.781  1.00  0.00           C  
HETATM    3  N   UNL     1      14.941   3.547   3.065  1.00  0.00           N  
HETATM    4  C   UNL     1      -8.837  -0.462   1.488  1.00  0.00           C  
HETATM    5  C   UNL     1      13.105   2.877   1.614  1.00  0.00           C  
HETATM    6  C   UNL     1      14.043   2.102   0.725  1.00  0.00           C  
HETATM    7  C   UNL     1      11.783   2.914   1.332  1.00  0.00           C  
HETATM    8  C   UNL     1      11.264   2.202   0.164  1.00  0.00           C  
HETATM    9  C   UNL     1       9.959   2.238  -0.113  1.00  0.00           C  
HETATM   10  C   UNL     1       9.424   1.505  -1.316  1.00  0.00           C  
HETATM   11  C   UNL     1       8.754   2.501  -2.265  1.00  0.00           C  
HETATM   12  C   UNL     1       8.399   0.463  -0.864  1.00  0.00           C  
HETATM   13  O   UNL     1       9.024  -0.467   0.022  1.00  0.00           O  
HETATM   14  C   UNL     1       7.856  -0.281  -2.085  1.00  0.00           C  
HETATM   15  C   UNL     1       8.984  -1.081  -2.739  1.00  0.00           C  
HETATM   16  C   UNL     1       6.742  -1.235  -1.647  1.00  0.00           C  
HETATM   17  O   UNL     1       7.159  -1.952  -0.484  1.00  0.00           O  
HETATM   18  C   UNL     1       5.480  -0.431  -1.327  1.00  0.00           C  
HETATM   19  C   UNL     1       5.002   0.293  -2.587  1.00  0.00           C  
HETATM   20  C   UNL     1       4.383  -1.379  -0.836  1.00  0.00           C  
HETATM   21  O   UNL     1       4.087  -2.353  -1.871  1.00  0.00           O  
HETATM   22  C   UNL     1       4.424  -3.628  -1.623  1.00  0.00           C  
HETATM   23  O   UNL     1       5.007  -3.911  -0.603  1.00  0.00           O  
HETATM   24  C   UNL     1       4.075  -4.707  -2.615  1.00  0.00           C  
HETATM   25  C   UNL     1       3.121  -0.576  -0.515  1.00  0.00           C  
HETATM   26  C   UNL     1       3.473   0.567   0.438  1.00  0.00           C  
HETATM   27  C   UNL     1       2.088  -1.491   0.145  1.00  0.00           C  
HETATM   28  O   UNL     1       2.570  -1.908   1.425  1.00  0.00           O  
HETATM   29  C   UNL     1       2.713  -3.323   1.559  1.00  0.00           C  
HETATM   30  C   UNL     1       0.791  -0.744   0.316  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.306  -1.189  -0.262  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.474  -0.516  -0.108  1.00  0.00           O  
HETATM   33  C   UNL     1      -2.624  -1.055  -0.763  1.00  0.00           C  
HETATM   34  O   UNL     1      -2.936  -2.342  -0.229  1.00  0.00           O  
HETATM   35  C   UNL     1      -4.172  -2.345   0.323  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.375  -1.154  -2.269  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.835  -0.188  -0.489  1.00  0.00           C  
HETATM   38  O   UNL     1      -3.991   0.980  -0.778  1.00  0.00           O  
HETATM   39  C   UNL     1      -4.779  -1.079   0.205  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.067  -0.865   0.713  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.751  -1.915   1.340  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.140  -3.171   1.454  1.00  0.00           C  
HETATM   43  O   UNL     1      -6.798  -4.189   2.059  1.00  0.00           O  
HETATM   44  C   UNL     1      -4.864  -3.376   0.947  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.221  -4.733   1.077  1.00  0.00           C  
HETATM   46  C   UNL     1      -8.106  -1.679   1.877  1.00  0.00           C  
HETATM   47  O   UNL     1      -8.614  -2.484   2.635  1.00  0.00           O  
HETATM   48  C   UNL     1      -6.720   0.459   0.596  1.00  0.00           C  
HETATM   49  O   UNL     1      -6.072   1.439   0.288  1.00  0.00           O  
HETATM   50  C   UNL     1      -8.171   0.574   0.866  1.00  0.00           C  
HETATM   51  C   UNL     1      -8.898   1.784   0.473  1.00  0.00           C  
HETATM   52  N   UNL     1     -10.175   1.883   0.711  1.00  0.00           N  
HETATM   53  O   UNL     1     -10.166  -0.361   1.737  1.00  0.00           O  
HETATM   54  H   UNL     1      15.285   4.016   3.842  1.00  0.00           H  
HETATM   55  H   UNL     1      15.545   3.048   2.493  1.00  0.00           H  
HETATM   56  H   UNL     1      14.123   1.077   1.086  1.00  0.00           H  
HETATM   57  H   UNL     1      13.658   2.099  -0.295  1.00  0.00           H  
HETATM   58  H   UNL     1      15.027   2.570   0.739  1.00  0.00           H  
HETATM   59  H   UNL     1      11.111   3.469   1.970  1.00  0.00           H  
HETATM   60  H   UNL     1      11.936   1.647  -0.473  1.00  0.00           H  
HETATM   61  H   UNL     1       9.287   2.793   0.524  1.00  0.00           H  
HETATM   62  H   UNL     1      10.245   1.007  -1.833  1.00  0.00           H  
HETATM   63  H   UNL     1       7.934   3.000  -1.748  1.00  0.00           H  
HETATM   64  H   UNL     1       9.485   3.244  -2.587  1.00  0.00           H  
HETATM   65  H   UNL     1       8.367   1.971  -3.135  1.00  0.00           H  
HETATM   66  H   UNL     1       7.578   0.961  -0.347  1.00  0.00           H  
HETATM   67  H   UNL     1       9.765  -0.948  -0.372  1.00  0.00           H  
HETATM   68  H   UNL     1       7.458   0.438  -2.802  1.00  0.00           H  
HETATM   69  H   UNL     1       9.745  -0.396  -3.113  1.00  0.00           H  
HETATM   70  H   UNL     1       9.429  -1.750  -2.002  1.00  0.00           H  
HETATM   71  H   UNL     1       8.583  -1.666  -3.566  1.00  0.00           H  
HETATM   72  H   UNL     1       6.530  -1.939  -2.452  1.00  0.00           H  
HETATM   73  H   UNL     1       7.365  -1.387   0.273  1.00  0.00           H  
HETATM   74  H   UNL     1       5.702   0.300  -0.549  1.00  0.00           H  
HETATM   75  H   UNL     1       4.059   0.799  -2.379  1.00  0.00           H  
HETATM   76  H   UNL     1       5.749   1.027  -2.889  1.00  0.00           H  
HETATM   77  H   UNL     1       4.858  -0.431  -3.389  1.00  0.00           H  
HETATM   78  H   UNL     1       4.724  -1.895   0.062  1.00  0.00           H  
HETATM   79  H   UNL     1       3.555  -4.265  -3.465  1.00  0.00           H  
HETATM   80  H   UNL     1       4.988  -5.193  -2.960  1.00  0.00           H  
HETATM   81  H   UNL     1       3.429  -5.445  -2.138  1.00  0.00           H  
HETATM   82  H   UNL     1       2.707  -0.166  -1.436  1.00  0.00           H  
HETATM   83  H   UNL     1       2.574   1.140   0.667  1.00  0.00           H  
HETATM   84  H   UNL     1       3.887   0.158   1.360  1.00  0.00           H  
HETATM   85  H   UNL     1       4.209   1.220  -0.032  1.00  0.00           H  
HETATM   86  H   UNL     1       1.924  -2.366  -0.483  1.00  0.00           H  
HETATM   87  H   UNL     1       3.400  -3.693   0.798  1.00  0.00           H  
HETATM   88  H   UNL     1       3.107  -3.556   2.549  1.00  0.00           H  
HETATM   89  H   UNL     1       1.741  -3.800   1.434  1.00  0.00           H  
HETATM   90  H   UNL     1       0.761   0.156   0.912  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.276  -2.089  -0.858  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.513  -1.795  -2.454  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.254  -1.577  -2.756  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.181  -0.159  -2.671  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.335  -4.723   1.458  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.664  -4.783   2.012  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.993  -5.503   1.073  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.542  -4.894   0.240  1.00  0.00           H  
HETATM   99  H   UNL     1      -8.375   2.594  -0.014  1.00  0.00           H  
HETATM  100  H   UNL     1     -10.545  -1.138   2.172  1.00  0.00           H  
HETATM  101  N   UNL     1     -10.894   2.985   0.228  1.00  0.00           N  
HETATM  102  C   UNL     1     -10.214   4.078  -0.482  1.00  0.00           C  
HETATM  103  C   UNL     1     -10.948   4.332  -1.803  1.00  0.00           C  
HETATM  104  N   UNL     1     -12.373   4.560  -1.531  1.00  0.00           N  
HETATM  105  C   UNL     1     -13.000   3.371  -0.938  1.00  0.00           C  
HETATM  106  C   UNL     1     -12.350   3.075   0.413  1.00  0.00           C  
HETATM  107  C   UNL     1     -13.081   4.976  -2.749  1.00  0.00           C  
HETATM  108  H   UNL     1     -10.236   4.981   0.129  1.00  0.00           H  
HETATM  109  H   UNL     1      -9.181   3.796  -0.685  1.00  0.00           H  
HETATM  110  H   UNL     1     -10.525   5.210  -2.290  1.00  0.00           H  
HETATM  111  H   UNL     1     -10.836   3.465  -2.453  1.00  0.00           H  
HETATM  112  H   UNL     1     -14.065   3.552  -0.799  1.00  0.00           H  
HETATM  113  H   UNL     1     -12.859   2.517  -1.601  1.00  0.00           H  
HETATM  114  H   UNL     1     -12.731   2.131   0.803  1.00  0.00           H  
HETATM  115  H   UNL     1     -12.576   3.880   1.112  1.00  0.00           H  
HETATM  116  H   UNL     1     -12.990   4.198  -3.506  1.00  0.00           H  
HETATM  117  H   UNL     1     -14.134   5.138  -2.519  1.00  0.00           H  
HETATM  118  H   UNL     1     -12.645   5.902  -3.125  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    5    3                                       
CONECT    3    2   54   55                                            
CONECT    4   46   50   50   53                                       
CONECT    5    6    2    7    7                                       
CONECT    6    5   56   57   58                                       
CONECT    7    5    5    8   59                                       
CONECT    8    9    9    7   60                                       
CONECT    9   10    8    8   61                                       
CONECT   10   12    9   11   62                                       
CONECT   11   10   63   64   65                                       
CONECT   12   13   14   10   66                                       
CONECT   13   12   67                                                 
CONECT   14   15   16   12   68                                       
CONECT   15   14   69   70   71                                       
CONECT   16   17   14   18   72                                       
CONECT   17   16   73                                                 
CONECT   18   16   20   19   74                                       
CONECT   19   18   75   76   77                                       
CONECT   20   21   18   25   78                                       
CONECT   21   20   22                                                 
CONECT   22   21   24   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   22   79   80   81                                       
CONECT   25   20   27   26   82                                       
CONECT   26   25   83   84   85                                       
CONECT   27   28   25   30   86                                       
CONECT   28   29   27                                                 
CONECT   29   28   87   88   89                                       
CONECT   30   27   31   31   90                                       
CONECT   31   30   30   32   91                                       
CONECT   32   31   33                                                 
CONECT   33   32   34   37   36                                       
CONECT   34   33   35                                                 
CONECT   35   34   44   44   39                                       
CONECT   36   33   92   93   94                                       
CONECT   37   33   39   38   38                                       
CONECT   38   37   37                                                 
CONECT   39   35   37   40   40                                       
CONECT   40   39   39   41   48                                       
CONECT   41   42   42   40   46                                       
CONECT   42   44   43   41   41                                       
CONECT   43   42   95                                                 
CONECT   44   45   35   35   42                                       
CONECT   45   44   96   97   98                                       
CONECT   46   41   47   47    4                                       
CONECT   47   46   46                                                 
CONECT   48   40   49   49   50                                       
CONECT   49   48   48                                                 
CONECT   50   48    4    4   51                                       
CONECT   51   52   52   50   99                                       
CONECT   52   51   51  101                                            
CONECT   53    4  100                                                 
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   11                                                      
CONECT   65   11                                                      
CONECT   66   12                                                      
CONECT   67   13                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   15                                                      
CONECT   71   15                                                      
CONECT   72   16                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   19                                                      
CONECT   76   19                                                      
CONECT   77   19                                                      
CONECT   78   20                                                      
CONECT   79   24                                                      
CONECT   80   24                                                      
CONECT   81   24                                                      
CONECT   82   25                                                      
CONECT   83   26                                                      
CONECT   84   26                                                      
CONECT   85   26                                                      
CONECT   86   27                                                      
CONECT   87   29                                                      
CONECT   88   29                                                      
CONECT   89   29                                                      
CONECT   90   30                                                      
CONECT   91   31                                                      
CONECT   92   36                                                      
CONECT   93   36                                                      
CONECT   94   36                                                      
CONECT   95   43                                                      
CONECT   96   45                                                      
CONECT   97   45                                                      
CONECT   98   45                                                      
CONECT   99   51                                                      
CONECT  100   53                                                      
CONECT  101   52  102  106                                            
CONECT  102  101  103  108  109                                       
CONECT  103  102  104  110  111                                       
CONECT  104  103  105  107                                            
CONECT  105  104  106  112  113                                       
CONECT  106  105  101  114  115                                       
CONECT  107  104  116  117  118                                       
CONECT  108  102                                                      
CONECT  109  102                                                      
CONECT  110  103                                                      
CONECT  111  103                                                      
CONECT  112  105                                                      
CONECT  113  105                                                      
CONECT  114  106                                                      
CONECT  115  106                                                      
CONECT  116  107                                                      
CONECT  117  107                                                      
CONECT  118  107                                                      
MASTER        0    0    0    0    0    0    0    0  118    0  118    0
END
