COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.767   0.825   2.442  1.00  0.00           C  
HETATM    2  C   UNL     1       6.579  -0.049   0.809  1.00  0.00           C  
HETATM    3  C   UNL     1      10.935   0.251   2.592  1.00  0.00           C  
HETATM    4  C   UNL     1       8.902   0.476   1.258  1.00  0.00           C  
HETATM    5  O   UNL     1       7.534   0.273   1.701  1.00  0.00           O  
HETATM    6  O   UNL     1       6.861  -0.172  -0.366  1.00  0.00           O  
HETATM    7  C   UNL     1       4.270  -0.589   0.249  1.00  0.00           C  
HETATM    8  C   UNL     1       3.718   0.686  -0.392  1.00  0.00           C  
HETATM    9  N   UNL     1       5.309  -0.237   1.220  1.00  0.00           N  
HETATM   10  C   UNL     1       4.821   1.365  -1.207  1.00  0.00           C  
HETATM   11  C   UNL     1       4.270   2.640  -1.848  1.00  0.00           C  
HETATM   12  C   UNL     1       5.343   3.316  -2.732  1.00  0.00           C  
HETATM   13  C   UNL     1       5.178   4.826  -2.480  1.00  0.00           C  
HETATM   14  N   UNL     1       4.055   4.988  -1.532  1.00  0.00           N  
HETATM   15  C   UNL     1       3.976   3.713  -0.770  1.00  0.00           C  
HETATM   16  C   UNL     1       3.155  -1.321   0.951  1.00  0.00           C  
HETATM   17  O   UNL     1       3.026  -1.222   2.148  1.00  0.00           O  
HETATM   18  C   UNL     1       2.218  -2.161   0.173  1.00  0.00           C  
HETATM   19  N   UNL     1       2.240  -2.357  -1.120  1.00  0.00           N  
HETATM   20  O   UNL     1       1.336  -3.097  -1.445  1.00  0.00           O  
HETATM   21  C   UNL     1       0.629  -3.457  -0.368  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.572  -4.367  -0.350  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.825  -3.548  -0.528  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.483  -3.046   0.580  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.627  -2.292   0.424  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.127  -2.045  -0.856  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.462  -2.559  -1.969  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.315  -3.307  -1.799  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.356  -1.242  -1.030  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.789  -1.028  -2.146  1.00  0.00           O  
HETATM   31  N   UNL     1      -5.997  -0.747   0.047  1.00  0.00           N  
HETATM   32  C   UNL     1      -7.215   0.049  -0.126  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.097  -0.016   1.139  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.725   1.357   1.255  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.821   1.783   1.985  1.00  0.00           C  
HETATM   36  C   UNL     1     -10.217   3.105   1.936  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.517   4.007   1.156  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.423   3.583   0.427  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.025   2.258   0.475  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.879   1.553  -0.219  1.00  0.00           C  
HETATM   41  N   UNL     1       1.180  -2.876   0.667  1.00  0.00           N  
HETATM   42  H   UNL     1       9.424   1.548   3.167  1.00  0.00           H  
HETATM   43  H   UNL     1      11.555   0.501   3.441  1.00  0.00           H  
HETATM   44  H   UNL     1      11.276  -0.476   1.870  1.00  0.00           H  
HETATM   45  H   UNL     1       8.933   1.289   0.534  1.00  0.00           H  
HETATM   46  H   UNL     1       9.273  -0.438   0.795  1.00  0.00           H  
HETATM   47  H   UNL     1       4.695  -1.229  -0.523  1.00  0.00           H  
HETATM   48  H   UNL     1       2.885   0.433  -1.047  1.00  0.00           H  
HETATM   49  H   UNL     1       3.373   1.365   0.388  1.00  0.00           H  
HETATM   50  H   UNL     1       5.084  -0.140   2.158  1.00  0.00           H  
HETATM   51  H   UNL     1       5.654   1.619  -0.552  1.00  0.00           H  
HETATM   52  H   UNL     1       5.166   0.686  -1.987  1.00  0.00           H  
HETATM   53  H   UNL     1       3.373   2.422  -2.429  1.00  0.00           H  
HETATM   54  H   UNL     1       6.339   2.989  -2.434  1.00  0.00           H  
HETATM   55  H   UNL     1       5.167   3.087  -3.783  1.00  0.00           H  
HETATM   56  H   UNL     1       6.092   5.232  -2.045  1.00  0.00           H  
HETATM   57  H   UNL     1       4.951   5.337  -3.416  1.00  0.00           H  
HETATM   58  H   UNL     1       4.330   5.703  -0.875  1.00  0.00           H  
HETATM   59  H   UNL     1       2.981   3.579  -0.347  1.00  0.00           H  
HETATM   60  H   UNL     1       4.735   3.685   0.013  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.492  -5.090  -1.161  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.615  -4.893   0.604  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.095  -3.238   1.570  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.138  -1.897   1.290  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.843  -2.371  -2.962  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.799  -3.705  -2.660  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.651  -0.917   0.937  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.770  -0.282  -1.004  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.869  -0.776   1.022  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.486  -0.228   2.016  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.369   1.079   2.594  1.00  0.00           H  
HETATM   72  H   UNL     1     -11.073   3.435   2.507  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.826   5.041   1.116  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.877   4.288  -0.182  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.940   1.763   0.293  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.820   1.863  -1.262  1.00  0.00           H  
CONECT    1    3    3    4   42                                       
CONECT    2    5    6    6    9                                       
CONECT    3    1    1   43   44                                       
CONECT    4    1    5   45   46                                       
CONECT    5    2    4                                                 
CONECT    6    2    2                                                 
CONECT    7    8    9   16   47                                       
CONECT    8    7   10   48   49                                       
CONECT    9    2    7   50                                            
CONECT   10    8   11   51   52                                       
CONECT   11   10   12   15   53                                       
CONECT   12   11   13   54   55                                       
CONECT   13   12   14   56   57                                       
CONECT   14   13   15   58                                            
CONECT   15   11   14   59   60                                       
CONECT   16    7   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   19   41                                       
CONECT   19   18   18   20                                            
CONECT   20   19   21                                                 
CONECT   21   20   22   41   41                                       
CONECT   22   21   23   61   62                                       
CONECT   23   22   24   28   28                                       
CONECT   24   23   25   25   63                                       
CONECT   25   24   24   26   64                                       
CONECT   26   25   27   27   29                                       
CONECT   27   26   26   28   65                                       
CONECT   28   23   23   27   66                                       
CONECT   29   26   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   32   67                                            
CONECT   32   31   33   40   68                                       
CONECT   33   32   34   69   70                                       
CONECT   34   33   35   35   39                                       
CONECT   35   34   34   36   71                                       
CONECT   36   35   37   37   72                                       
CONECT   37   36   36   38   73                                       
CONECT   38   37   39   39   74                                       
CONECT   39   34   38   38   40                                       
CONECT   40   32   39   75   76                                       
CONECT   41   18   21   21                                            
CONECT   42    1                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   40                                                      
CONECT   76   40                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
