COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.745   3.947  -1.112  1.00  0.00           C  
HETATM    2  C   UNL     1       3.746  -4.514  -1.233  1.00  0.00           C  
HETATM    3  C   UNL     1       3.735  -4.482   1.265  1.00  0.00           C  
HETATM    4  C   UNL     1       5.902  -4.596   0.027  1.00  0.00           C  
HETATM    5  O   UNL     1      -8.786   1.053  -2.213  1.00  0.00           O  
HETATM    6  O   UNL     1       1.387  -0.362   0.824  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.133   2.636   2.200  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.776   2.708   1.955  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.892   1.640   1.617  1.00  0.00           C  
HETATM   10  C   UNL     1       8.310   1.625  -0.284  1.00  0.00           C  
HETATM   11  C   UNL     1       6.491   2.867  -1.230  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.786   1.237  -0.485  1.00  0.00           C  
HETATM   13  C   UNL     1       7.467   0.554  -0.060  1.00  0.00           C  
HETATM   14  C   UNL     1       5.643   1.799  -1.008  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.089   1.490  -0.808  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.928   0.776   0.532  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.305  -1.102  -0.162  1.00  0.00           C  
HETATM   18  C   UNL     1       3.494  -1.646   0.271  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.784  -0.950   0.154  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.618  -1.832   0.576  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.434   0.510   0.014  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.606  -1.995  -0.551  1.00  0.00           C  
HETATM   23  N   UNL     1       5.614  -1.802  -0.285  1.00  0.00           N  
HETATM   24  N   UNL     1       1.206   1.851   0.871  1.00  0.00           N  
HETATM   25  N   UNL     1       3.220   0.796   0.342  1.00  0.00           N  
HETATM   26  N   UNL     1      -3.060  -0.301   0.191  1.00  0.00           N  
HETATM   27  C   UNL     1      -8.432   0.700  -1.107  1.00  0.00           C  
HETATM   28  C   UNL     1       1.918   0.722   0.684  1.00  0.00           C  
HETATM   29  C   UNL     1       7.823   2.780  -0.868  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.169   1.777   1.120  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.292   0.706   0.781  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.384  -0.055  -0.152  1.00  0.00           C  
HETATM   33  C   UNL     1       6.129   0.638  -0.422  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.604  -0.855  -0.494  1.00  0.00           C  
HETATM   35  C   UNL     1       3.957  -0.372   0.149  1.00  0.00           C  
HETATM   36  C   UNL     1       4.553  -2.516  -0.006  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.018   0.442  -0.806  1.00  0.00           C  
HETATM   38  N   UNL     1       5.272  -0.447  -0.196  1.00  0.00           N  
HETATM   39  C   UNL     1       4.484  -4.021   0.013  1.00  0.00           C  
HETATM   40  H   UNL     1       9.196   3.854  -2.100  1.00  0.00           H  
HETATM   41  H   UNL     1       8.178   4.876  -1.057  1.00  0.00           H  
HETATM   42  H   UNL     1       9.529   3.954  -0.354  1.00  0.00           H  
HETATM   43  H   UNL     1       2.736  -4.104  -1.243  1.00  0.00           H  
HETATM   44  H   UNL     1       4.280  -4.186  -2.125  1.00  0.00           H  
HETATM   45  H   UNL     1       3.697  -5.603  -1.219  1.00  0.00           H  
HETATM   46  H   UNL     1       3.685  -5.570   1.279  1.00  0.00           H  
HETATM   47  H   UNL     1       4.260  -4.130   2.153  1.00  0.00           H  
HETATM   48  H   UNL     1       2.725  -4.072   1.255  1.00  0.00           H  
HETATM   49  H   UNL     1       6.436  -4.268  -0.865  1.00  0.00           H  
HETATM   50  H   UNL     1       6.428  -4.245   0.915  1.00  0.00           H  
HETATM   51  H   UNL     1       5.852  -5.685   0.041  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.602   3.358   2.853  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.185   3.488   2.412  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.954   1.587   1.811  1.00  0.00           H  
HETATM   55  H   UNL     1       9.350   1.562   0.001  1.00  0.00           H  
HETATM   56  H   UNL     1       6.113   3.770  -1.685  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.064   2.040  -0.492  1.00  0.00           H  
HETATM   58  H   UNL     1       7.848  -0.347   0.396  1.00  0.00           H  
HETATM   59  H   UNL     1       4.603   1.867  -1.291  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.401   2.492  -1.062  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.459   0.052  -0.117  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.991  -2.103   0.093  1.00  0.00           H  
HETATM   63  H   UNL     1       2.489  -1.934   0.539  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.162  -1.309  -0.803  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.578  -1.047   0.895  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.124  -1.381   1.437  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.998  -2.814   0.859  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.337   1.078  -0.207  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.003   0.869   0.949  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.083  -2.945  -0.436  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.123  -1.978  -1.510  1.00  0.00           H  
HETATM   72  H   UNL     1       1.647   2.714   0.834  1.00  0.00           H  
HETATM   73  H   UNL     1       3.644   1.661   0.231  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.669  -1.172   0.022  1.00  0.00           H  
CONECT    1   29   40   41   42                                       
CONECT    2   39   43   44   45                                       
CONECT    3   39   46   47   48                                       
CONECT    4   39   49   50   51                                       
CONECT    5   27   27                                                 
CONECT    6   28   28                                                 
CONECT    7    8    8    9   52                                       
CONECT    8    7    7   30   53                                       
CONECT    9    7   31   31   54                                       
CONECT   10   13   13   29   55                                       
CONECT   11   14   29   29   56                                       
CONECT   12   15   32   32   57                                       
CONECT   13   10   10   33   58                                       
CONECT   14   11   33   33   59                                       
CONECT   15   12   37   37   60                                       
CONECT   16   30   30   31   61                                       
CONECT   17   32   34   34   62                                       
CONECT   18   35   35   36   63                                       
CONECT   19   20   21   64   65                                       
CONECT   20   19   22   66   67                                       
CONECT   21   19   27   68   69                                       
CONECT   22   20   34   70   71                                       
CONECT   23   36   36   38                                            
CONECT   24   28   30   72                                            
CONECT   25   28   35   73                                            
CONECT   26   31   32   74                                            
CONECT   27    5    5   21   37                                       
CONECT   28    6    6   24   25                                       
CONECT   29    1   10   11   11                                       
CONECT   30    8   16   16   24                                       
CONECT   31    9    9   16   26                                       
CONECT   32   12   12   17   26                                       
CONECT   33   13   14   14   38                                       
CONECT   34   17   17   22   37                                       
CONECT   35   18   18   25   38                                       
CONECT   36   18   23   23   39                                       
CONECT   37   15   15   27   34                                       
CONECT   38   23   33   35                                            
CONECT   39    2    3    4   36                                       
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
