COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.765  -1.283  -1.894  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.101  -1.226  -3.234  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.434  -0.355  -4.077  1.00  0.00           C  
HETATM    4  C   UNL     1       0.566   0.457  -3.580  1.00  0.00           C  
HETATM    5  C   UNL     1       0.898   0.403  -2.239  1.00  0.00           C  
HETATM    6  C   UNL     1       0.236  -0.470  -1.397  1.00  0.00           C  
HETATM    7  C   UNL     1       0.601  -0.532   0.062  1.00  0.00           C  
HETATM    8  C   UNL     1       1.699  -1.577   0.269  1.00  0.00           C  
HETATM    9  C   UNL     1       2.065  -1.640   1.730  1.00  0.00           C  
HETATM   10  N   UNL     1       3.041  -0.847   2.215  1.00  0.00           N  
HETATM   11  N   UNL     1       1.213  -2.888  -0.168  1.00  0.00           N  
HETATM   12  C   UNL     1       0.129  -3.435   0.415  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.370  -4.784  -0.035  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.444  -2.842   1.304  1.00  0.00           O  
HETATM   15  O   UNL     1       1.480  -2.403   2.469  1.00  0.00           O  
HETATM   16  C   UNL     1       3.396  -0.908   3.635  1.00  0.00           C  
HETATM   17  C   UNL     1       4.770  -0.267   3.849  1.00  0.00           C  
HETATM   18  C   UNL     1       4.971   0.901   2.902  1.00  0.00           C  
HETATM   19  C   UNL     1       4.051   2.077   3.176  1.00  0.00           C  
HETATM   20  C   UNL     1       2.595   1.711   2.880  1.00  0.00           C  
HETATM   21  N   UNL     1       2.013   1.089   4.081  1.00  0.00           N  
HETATM   22  C   UNL     1       2.373  -0.144   4.448  1.00  0.00           C  
HETATM   23  C   UNL     1       1.030   1.826   4.878  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.355   1.535   4.361  1.00  0.00           C  
HETATM   25  O   UNL     1       1.883  -0.648   5.436  1.00  0.00           O  
HETATM   26  P   UNL     1      -0.874  -0.281  -5.835  1.00  0.00           P  
HETATM   27  C   UNL     1      -0.905   2.334   3.376  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.171   2.069   2.895  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.900   1.000   3.413  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.343   0.201   4.409  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.074   0.472   4.879  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.264   0.713   2.904  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.672  -0.603   2.703  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.945  -0.865   2.236  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.809   0.177   1.955  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.407   1.487   2.147  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.139   1.759   2.620  1.00  0.00           C  
HETATM   38  P   UNL     1       1.440   1.599  -4.686  1.00  0.00           P  
HETATM   39  O   UNL     1       0.578   2.948  -4.855  1.00  0.00           O  
HETATM   40  O   UNL     1       1.623   0.961  -6.009  1.00  0.00           O  
HETATM   41  O   UNL     1       2.879   1.957  -4.059  1.00  0.00           O  
HETATM   42  O   UNL     1      -0.779   1.117  -6.309  1.00  0.00           O  
HETATM   43  O   UNL     1       0.138  -1.204  -6.681  1.00  0.00           O  
HETATM   44  O   UNL     1      -2.380  -0.814  -6.035  1.00  0.00           O  
HETATM   45  H   UNL     1      -1.286  -1.962  -1.236  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.883  -1.861  -3.622  1.00  0.00           H  
HETATM   47  H   UNL     1       1.680   1.039  -1.850  1.00  0.00           H  
HETATM   48  H   UNL     1       0.962   0.443   0.388  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.277  -0.807   0.646  1.00  0.00           H  
HETATM   50  H   UNL     1       2.578  -1.302  -0.313  1.00  0.00           H  
HETATM   51  H   UNL     1       3.509  -0.237   1.623  1.00  0.00           H  
HETATM   52  H   UNL     1       1.673  -3.363  -0.878  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.248  -5.059   0.548  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.634  -4.739  -1.091  1.00  0.00           H  
HETATM   55  H   UNL     1       0.411  -5.528   0.112  1.00  0.00           H  
HETATM   56  H   UNL     1       3.423  -1.947   3.962  1.00  0.00           H  
HETATM   57  H   UNL     1       5.545  -1.011   3.669  1.00  0.00           H  
HETATM   58  H   UNL     1       4.844   0.087   4.877  1.00  0.00           H  
HETATM   59  H   UNL     1       4.800   0.556   1.882  1.00  0.00           H  
HETATM   60  H   UNL     1       6.004   1.241   2.983  1.00  0.00           H  
HETATM   61  H   UNL     1       4.345   2.916   2.545  1.00  0.00           H  
HETATM   62  H   UNL     1       4.143   2.368   4.222  1.00  0.00           H  
HETATM   63  H   UNL     1       2.557   1.008   2.049  1.00  0.00           H  
HETATM   64  H   UNL     1       2.036   2.612   2.627  1.00  0.00           H  
HETATM   65  H   UNL     1       1.228   2.896   4.802  1.00  0.00           H  
HETATM   66  H   UNL     1       1.101   1.517   5.921  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.339   3.163   2.975  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.598   2.691   2.123  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.903  -0.628   4.814  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.641  -0.145   5.651  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.998  -1.418   2.921  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.264  -1.885   2.085  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.802  -0.031   1.585  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.086   2.297   1.927  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.826   2.782   2.771  1.00  0.00           H  
HETATM   76  H   UNL     1       1.076   3.525  -5.449  1.00  0.00           H  
HETATM   77  H   UNL     1       2.715   2.369  -3.200  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.129  -1.137  -7.608  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.385  -1.744  -5.768  1.00  0.00           H  
CONECT    1    2    6    6   45                                       
CONECT    2    1    3    3   46                                       
CONECT    3    2    2    4   26                                       
CONECT    4    3    5    5   38                                       
CONECT    5    4    4    6   47                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6    8   48   49                                       
CONECT    8    7    9   11   50                                       
CONECT    9    8   10   15   15                                       
CONECT   10    9   16   51                                            
CONECT   11    8   12   52                                            
CONECT   12   11   13   14   14                                       
CONECT   13   12   53   54   55                                       
CONECT   14   12   12                                                 
CONECT   15    9    9                                                 
CONECT   16   10   17   22   56                                       
CONECT   17   16   18   57   58                                       
CONECT   18   17   19   59   60                                       
CONECT   19   18   20   61   62                                       
CONECT   20   19   21   63   64                                       
CONECT   21   20   22   23                                            
CONECT   22   16   21   25   25                                       
CONECT   23   21   24   65   66                                       
CONECT   24   23   27   31   31                                       
CONECT   25   22   22                                                 
CONECT   26    3   42   42   43                                       
CONECT   26   44                                                      
CONECT   27   24   28   28   67                                       
CONECT   28   27   27   29   68                                       
CONECT   29   28   30   30   32                                       
CONECT   30   29   29   31   69                                       
CONECT   31   24   24   30   70                                       
CONECT   32   29   33   37   37                                       
CONECT   33   32   34   34   71                                       
CONECT   34   33   33   35   72                                       
CONECT   35   34   36   36   73                                       
CONECT   36   35   35   37   74                                       
CONECT   37   32   32   36   75                                       
CONECT   38    4   39   40   40                                       
CONECT   38   41                                                      
CONECT   39   38   76                                                 
CONECT   40   38   38                                                 
CONECT   41   38   77                                                 
CONECT   42   26   26                                                 
CONECT   43   26   78                                                 
CONECT   44   26   79                                                 
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    5                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   39                                                      
CONECT   77   41                                                      
CONECT   78   43                                                      
CONECT   79   44                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
