COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.563  -0.960  -6.700  1.00  0.00           C  
HETATM    2  O   UNL     1       0.356  -2.315  -7.102  1.00  0.00           O  
HETATM    3  C   UNL     1      -0.690  -0.439  -5.995  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.468   1.011  -5.563  1.00  0.00           C  
HETATM    5  C   UNL     1       0.721   1.081  -4.604  1.00  0.00           C  
HETATM    6  C   UNL     1       1.975   0.562  -5.311  1.00  0.00           C  
HETATM    7  C   UNL     1       1.754  -0.888  -5.742  1.00  0.00           C  
HETATM    8  C   UNL     1       0.943   2.531  -4.169  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.723   1.530  -4.859  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.008   0.673  -3.624  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.214  -0.683  -4.022  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.819   0.748  -2.665  1.00  0.00           C  
HETATM   13  C   UNL     1       0.448   0.230  -3.362  1.00  0.00           C  
HETATM   14  C   UNL     1       1.657   0.257  -2.434  1.00  0.00           C  
HETATM   15  C   UNL     1       1.380  -0.509  -1.130  1.00  0.00           C  
HETATM   16  C   UNL     1       0.137   0.062  -0.483  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.060  -0.132  -1.454  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.247   0.261  -0.567  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.896  -0.398   0.794  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.357  -0.571   0.812  1.00  0.00           C  
HETATM   21  C   UNL     1       0.243   0.150   2.019  1.00  0.00           C  
HETATM   22  C   UNL     1       1.767   0.024   1.983  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.290  -0.479   3.308  1.00  0.00           C  
HETATM   24  C   UNL     1       0.310   0.243   4.515  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.214  -0.376   5.784  1.00  0.00           C  
HETATM   26  N   UNL     1       0.180   0.100   6.981  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.329  -0.502   8.215  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.992  -1.305   5.729  1.00  0.00           O  
HETATM   29  C   UNL     1       0.301   1.571  -0.291  1.00  0.00           C  
HETATM   30  O   UNL     1       1.119  -1.884  -1.421  1.00  0.00           O  
HETATM   31  C   UNL     1       0.262   0.209   9.404  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.065  -0.175  10.648  1.00  0.00           O  
HETATM   33  O   UNL     1       1.031   1.126   9.238  1.00  0.00           O  
HETATM   34  H   UNL     1       0.766  -0.347  -7.579  1.00  0.00           H  
HETATM   35  H   UNL     1       1.168  -2.604  -7.542  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.893  -1.053  -5.117  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.538  -0.490  -6.678  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.264   1.624  -6.441  1.00  0.00           H  
HETATM   39  H   UNL     1       2.824   0.613  -4.629  1.00  0.00           H  
HETATM   40  H   UNL     1       2.177   1.176  -6.189  1.00  0.00           H  
HETATM   41  H   UNL     1       1.551  -1.502  -4.864  1.00  0.00           H  
HETATM   42  H   UNL     1       2.648  -1.258  -6.245  1.00  0.00           H  
HETATM   43  H   UNL     1       1.147   3.146  -5.045  1.00  0.00           H  
HETATM   44  H   UNL     1       0.050   2.900  -3.665  1.00  0.00           H  
HETATM   45  H   UNL     1       1.791   2.579  -3.486  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.571   1.477  -5.541  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.566   2.565  -4.554  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.903   1.044  -3.123  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.971  -0.686  -4.624  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.668   1.780  -2.346  1.00  0.00           H  
HETATM   51  H   UNL     1       0.265  -0.798  -3.673  1.00  0.00           H  
HETATM   52  H   UNL     1       2.507  -0.198  -2.942  1.00  0.00           H  
HETATM   53  H   UNL     1       1.900   1.292  -2.195  1.00  0.00           H  
HETATM   54  H   UNL     1       2.238  -0.428  -0.463  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.140  -1.176  -1.755  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.176  -0.145  -0.965  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.310   1.344  -0.467  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.384  -1.369   0.875  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.210   0.248   1.614  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.097  -1.630   0.838  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.035   1.204   1.988  1.00  0.00           H  
HETATM   62  H   UNL     1       2.045  -1.029   2.015  1.00  0.00           H  
HETATM   63  H   UNL     1       2.147   0.473   1.065  1.00  0.00           H  
HETATM   64  H   UNL     1       2.195   0.539   2.843  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.376  -0.389   3.334  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.011  -1.532   3.340  1.00  0.00           H  
HETATM   67  H   UNL     1       1.396   0.153   4.489  1.00  0.00           H  
HETATM   68  H   UNL     1       0.032   1.297   4.484  1.00  0.00           H  
HETATM   69  H   UNL     1       0.803   0.843   7.026  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.415  -0.412   8.241  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.051  -1.555   8.247  1.00  0.00           H  
HETATM   72  H   UNL     1       0.565   2.032  -1.243  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.635   1.996   0.070  1.00  0.00           H  
HETATM   74  H   UNL     1       1.091   1.761   0.435  1.00  0.00           H  
HETATM   75  H   UNL     1       1.908  -2.231  -1.859  1.00  0.00           H  
HETATM   76  H   UNL     1       0.314   0.281  11.411  1.00  0.00           H  
CONECT    1    2    3    7   34                                       
CONECT    2    1   35                                                 
CONECT    3    1    4   36   37                                       
CONECT    4    3    5    9   38                                       
CONECT    5    4    6    8   13                                       
CONECT    6    5    7   39   40                                       
CONECT    7    1    6   41   42                                       
CONECT    8    5   43   44   45                                       
CONECT    9    4   10   46   47                                       
CONECT   10    9   11   12   48                                       
CONECT   11   10   49                                                 
CONECT   12   10   13   17   50                                       
CONECT   13    5   12   14   51                                       
CONECT   14   13   15   52   53                                       
CONECT   15   14   16   30   54                                       
CONECT   16   15   17   20   29                                       
CONECT   17   12   16   18   55                                       
CONECT   18   17   19   56   57                                       
CONECT   19   18   20   58   59                                       
CONECT   20   16   19   21   60                                       
CONECT   21   20   22   23   61                                       
CONECT   22   21   62   63   64                                       
CONECT   23   21   24   65   66                                       
CONECT   24   23   25   67   68                                       
CONECT   25   24   26   28   28                                       
CONECT   26   25   27   69                                            
CONECT   27   26   31   70   71                                       
CONECT   28   25   25                                                 
CONECT   29   16   72   73   74                                       
CONECT   30   15   75                                                 
CONECT   31   27   32   33   33                                       
CONECT   32   31   76                                                 
CONECT   33   31   31                                                 
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   32                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
