COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.211  -3.014   0.311  1.00  0.00           C  
HETATM    2  O   UNL     1      -7.029  -1.845   0.397  1.00  0.00           O  
HETATM    3  C   UNL     1      -6.419  -0.647   0.192  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.061  -0.600  -0.085  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.156   0.529   0.255  1.00  0.00           C  
HETATM    6  O   UNL     1      -8.491   0.482   0.523  1.00  0.00           O  
HETATM    7  C   UNL     1      -9.373   0.373  -0.596  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.531   1.752   0.046  1.00  0.00           C  
HETATM    9  O   UNL     1      -7.252   2.904   0.109  1.00  0.00           O  
HETATM   10  C   UNL     1      -6.545   4.125  -0.117  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.173   1.799  -0.225  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.438   0.623  -0.294  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.066   0.670  -0.573  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.212  -0.262  -0.007  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.938  -0.272  -0.368  1.00  0.00           N  
HETATM   16  N   UNL     1      -2.689  -1.117   0.886  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.902  -2.022   1.449  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.567  -2.071   1.097  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.093  -1.153   0.157  1.00  0.00           C  
HETATM   20  N   UNL     1       1.240  -1.161  -0.222  1.00  0.00           N  
HETATM   21  C   UNL     1       1.511  -0.114  -1.216  1.00  0.00           C  
HETATM   22  C   UNL     1       1.636  -2.484  -0.723  1.00  0.00           C  
HETATM   23  C   UNL     1       3.142  -2.497  -0.994  1.00  0.00           C  
HETATM   24  C   UNL     1       3.480  -1.418  -2.027  1.00  0.00           C  
HETATM   25  C   UNL     1       3.013  -0.057  -1.502  1.00  0.00           C  
HETATM   26  C   UNL     1       3.755   0.274  -0.232  1.00  0.00           C  
HETATM   27  O   UNL     1       3.142   0.450   0.799  1.00  0.00           O  
HETATM   28  N   UNL     1       5.099   0.373  -0.243  1.00  0.00           N  
HETATM   29  C   UNL     1       5.820   0.695   0.991  1.00  0.00           C  
HETATM   30  C   UNL     1       7.299   0.746   0.709  1.00  0.00           C  
HETATM   31  C   UNL     1       8.066  -0.398   0.827  1.00  0.00           C  
HETATM   32  C   UNL     1       9.422  -0.352   0.564  1.00  0.00           C  
HETATM   33  C   UNL     1      10.012   0.838   0.182  1.00  0.00           C  
HETATM   34  C   UNL     1      11.490   0.888  -0.105  1.00  0.00           C  
HETATM   35  C   UNL     1       9.246   1.982   0.063  1.00  0.00           C  
HETATM   36  C   UNL     1       7.890   1.937   0.327  1.00  0.00           C  
HETATM   37  H   UNL     1      -5.418  -2.958   1.057  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.821  -3.898   0.494  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.770  -3.076  -0.684  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.489  -1.514  -0.139  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.236   1.232  -1.252  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.152  -0.542  -1.145  1.00  0.00           H  
HETATM   43  H   UNL     1     -10.404   0.346  -0.244  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.757   4.232   0.629  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.102   4.110  -1.113  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.236   4.964  -0.039  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.687   2.749  -0.388  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.715   1.356  -1.162  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.300  -2.715   2.176  1.00  0.00           H  
HETATM   50  H   UNL     1       0.095  -2.799   1.541  1.00  0.00           H  
HETATM   51  H   UNL     1       0.974  -0.340  -2.137  1.00  0.00           H  
HETATM   52  H   UNL     1       1.178   0.849  -0.828  1.00  0.00           H  
HETATM   53  H   UNL     1       1.395  -3.242   0.022  1.00  0.00           H  
HETATM   54  H   UNL     1       1.099  -2.698  -1.647  1.00  0.00           H  
HETATM   55  H   UNL     1       3.681  -2.296  -0.068  1.00  0.00           H  
HETATM   56  H   UNL     1       3.434  -3.474  -1.381  1.00  0.00           H  
HETATM   57  H   UNL     1       4.557  -1.395  -2.191  1.00  0.00           H  
HETATM   58  H   UNL     1       2.972  -1.640  -2.965  1.00  0.00           H  
HETATM   59  H   UNL     1       3.212   0.709  -2.250  1.00  0.00           H  
HETATM   60  H   UNL     1       5.589   0.232  -1.069  1.00  0.00           H  
HETATM   61  H   UNL     1       5.487   1.663   1.364  1.00  0.00           H  
HETATM   62  H   UNL     1       5.619  -0.072   1.739  1.00  0.00           H  
HETATM   63  H   UNL     1       7.604  -1.328   1.125  1.00  0.00           H  
HETATM   64  H   UNL     1      10.021  -1.247   0.656  1.00  0.00           H  
HETATM   65  H   UNL     1      11.663   0.675  -1.160  1.00  0.00           H  
HETATM   66  H   UNL     1      11.873   1.880   0.133  1.00  0.00           H  
HETATM   67  H   UNL     1      12.004   0.145   0.505  1.00  0.00           H  
HETATM   68  H   UNL     1       9.707   2.912  -0.235  1.00  0.00           H  
HETATM   69  H   UNL     1       7.290   2.830   0.231  1.00  0.00           H  
CONECT    1    2   37   38   39                                       
CONECT    2    3    1                                                 
CONECT    3    5    2    4    4                                       
CONECT    4    3    3   12   40                                       
CONECT    5    6    8    8    3                                       
CONECT    6    7    5                                                 
CONECT    7    6   41   42   43                                       
CONECT    8    9    5    5   11                                       
CONECT    9   10    8                                                 
CONECT   10    9   44   45   46                                       
CONECT   11    8   12   12   47                                       
CONECT   12   11   11    4   13                                       
CONECT   13   12   14   48                                            
CONECT   14   13   15   15   16                                       
CONECT   15   14   14   19                                            
CONECT   16   14   17   17                                            
CONECT   17   16   16   18   49                                       
CONECT   18   19   19   17   50                                       
CONECT   19   15   20   18   18                                       
CONECT   20   22   19   21                                            
CONECT   21   20   25   51   52                                       
CONECT   22   23   20   53   54                                       
CONECT   23   22   24   55   56                                       
CONECT   24   23   25   57   58                                       
CONECT   25   24   21   26   59                                       
CONECT   26   25   28   27   27                                       
CONECT   27   26   26                                                 
CONECT   28   26   29   60                                            
CONECT   29   28   30   61   62                                       
CONECT   30   31   31   36   29                                       
CONECT   31   32   30   30   63                                       
CONECT   32   33   33   31   64                                       
CONECT   33   34   32   32   35                                       
CONECT   34   33   65   66   67                                       
CONECT   35   33   36   36   68                                       
CONECT   36   35   35   30   69                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    4                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   13                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
