COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.581  -1.564  -0.945  1.00  0.00           C  
HETATM    2  C   UNL     1       0.232   0.001   2.221  1.00  0.00           C  
HETATM    3  C   UNL     1       1.325  -0.369   1.462  1.00  0.00           C  
HETATM    4  C   UNL     1       1.146  -1.128   0.315  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.039  -0.384   1.839  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.220  -1.140   0.696  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.131  -1.513  -0.067  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.608  -1.559   0.282  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.210  -0.494  -0.636  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.587  -0.878  -1.187  1.00  0.00           C  
HETATM   11  C   UNL     1      10.802   2.156   0.313  1.00  0.00           C  
HETATM   12  C   UNL     1       9.892   1.124   0.410  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.517   1.913   0.593  1.00  0.00           C  
HETATM   14  O   UNL     1      -5.902  -2.256   0.199  1.00  0.00           O  
HETATM   15  C   UNL     1      -5.096  -2.210  -0.700  1.00  0.00           C  
HETATM   16  O   UNL     1      -4.653  -3.345  -1.264  1.00  0.00           O  
HETATM   17  N   UNL     1      -5.050   0.268  -0.395  1.00  0.00           N  
HETATM   18  C   UNL     1      -6.332   0.804  -0.223  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.781   2.441   0.763  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.867   1.865   0.120  1.00  0.00           C  
HETATM   21  O   UNL     1     -10.112   2.385   0.288  1.00  0.00           O  
HETATM   22  C   UNL     1     -11.183   1.741  -0.404  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.683   0.758  -0.695  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.419   0.228  -0.866  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.857   0.644   0.116  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.472   1.520   0.861  1.00  0.00           O  
HETATM   27  O   UNL     1       2.220  -1.493  -0.434  1.00  0.00           O  
HETATM   28  C   UNL     1       3.504  -1.061   0.019  1.00  0.00           C  
HETATM   29  C   UNL     1       5.935  -1.108  -0.467  1.00  0.00           C  
HETATM   30  N   UNL     1       6.544   0.042  -0.797  1.00  0.00           N  
HETATM   31  C   UNL     1       7.706   0.091  -0.190  1.00  0.00           C  
HETATM   32  O   UNL     1       7.855  -1.030   0.538  1.00  0.00           O  
HETATM   33  C   UNL     1       6.747  -1.778   0.370  1.00  0.00           C  
HETATM   34  C   UNL     1       6.470  -3.119   1.001  1.00  0.00           C  
HETATM   35  C   UNL     1       8.686   1.193  -0.289  1.00  0.00           C  
HETATM   36  C   UNL     1      10.522   3.258  -0.475  1.00  0.00           C  
HETATM   37  C   UNL     1       9.331   3.330  -1.175  1.00  0.00           C  
HETATM   38  C   UNL     1       8.410   2.307  -1.083  1.00  0.00           C  
HETATM   39  H   UNL     1       4.556  -2.653  -0.981  1.00  0.00           H  
HETATM   40  H   UNL     1       4.393  -1.163  -1.941  1.00  0.00           H  
HETATM   41  H   UNL     1       0.372   0.588   3.117  1.00  0.00           H  
HETATM   42  H   UNL     1       2.318  -0.068   1.761  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.892  -0.093   2.434  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.273  -2.104  -0.960  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.557  -2.510  -0.249  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.233  -1.671   1.168  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.513  -0.161  -1.404  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.688  -0.745  -2.264  1.00  0.00           H  
HETATM   49  H   UNL     1      11.733   2.106   0.858  1.00  0.00           H  
HETATM   50  H   UNL     1      10.112   0.264   1.026  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.673   2.359   1.097  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.009  -4.175  -0.917  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.925   3.304   1.397  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.254   0.703  -0.079  1.00  0.00           H  
HETATM   55  H   UNL     1     -12.119   2.255  -0.183  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.995   1.775  -1.477  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.528   0.309  -1.196  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.276  -0.634  -1.501  1.00  0.00           H  
HETATM   59  H   UNL     1       3.692  -1.462   1.015  1.00  0.00           H  
HETATM   60  H   UNL     1       3.529   0.028   0.054  1.00  0.00           H  
HETATM   61  H   UNL     1       6.845  -3.910   0.351  1.00  0.00           H  
HETATM   62  H   UNL     1       6.971  -3.175   1.968  1.00  0.00           H  
HETATM   63  H   UNL     1       5.396  -3.240   1.140  1.00  0.00           H  
HETATM   64  H   UNL     1      11.236   4.065  -0.544  1.00  0.00           H  
HETATM   65  H   UNL     1       9.118   4.193  -1.789  1.00  0.00           H  
HETATM   66  H   UNL     1       7.478   2.366  -1.627  1.00  0.00           H  
CONECT    1   28   29   39   40                                       
CONECT    2    5    5    3   41                                       
CONECT    3    2    4    4   42                                       
CONECT    4    3    3    7   27                                       
CONECT    5    2    2    6   43                                       
CONECT    6    5    8    7    7                                       
CONECT    7    6    6    4   44                                       
CONECT    8    6    9   45   46                                       
CONECT    9    8   25   10   47                                       
CONECT   10    9   15   17   48                                       
CONECT   11   12   36   36   49                                       
CONECT   12   35   35   11   50                                       
CONECT   13   18   18   19   51                                       
CONECT   14   15   15                                                 
CONECT   15   14   14   16   10                                       
CONECT   16   15   52                                                 
CONECT   17   25   10   18                                            
CONECT   18   17   13   13   24                                       
CONECT   19   13   20   20   53                                       
CONECT   20   19   19   23   21                                       
CONECT   21   20   22                                                 
CONECT   22   21   54   55   56                                       
CONECT   23   24   24   20   57                                       
CONECT   24   18   23   23   58                                       
CONECT   25   26   26    9   17                                       
CONECT   26   25   25                                                 
CONECT   27    4   28                                                 
CONECT   28   27    1   59   60                                       
CONECT   29    1   33   33   30                                       
CONECT   30   29   31   31                                            
CONECT   31   30   30   32   35                                       
CONECT   32   33   31                                                 
CONECT   33   34   29   29   32                                       
CONECT   34   33   61   62   63                                       
CONECT   35   31   12   12   38                                       
CONECT   36   11   11   37   64                                       
CONECT   37   38   38   36   65                                       
CONECT   38   35   37   37   66                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   16                                                      
CONECT   53   19                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   34                                                      
CONECT   62   34                                                      
CONECT   63   34                                                      
CONECT   64   36                                                      
CONECT   65   37                                                      
CONECT   66   38                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
