COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.439  -4.005   0.083  1.00  0.00           C  
HETATM    2  C   UNL     1       1.213  -3.384  -0.073  1.00  0.00           C  
HETATM    3  C   UNL     1       1.144  -1.986  -0.152  1.00  0.00           C  
HETATM    4  C   UNL     1       2.320  -1.228  -0.070  1.00  0.00           C  
HETATM    5  C   UNL     1       3.540  -1.863   0.087  1.00  0.00           C  
HETATM    6  C   UNL     1       3.600  -3.248   0.163  1.00  0.00           C  
HETATM    7  O   UNL     1       4.800  -3.865   0.317  1.00  0.00           O  
HETATM    8  O   UNL     1       0.079  -4.126  -0.152  1.00  0.00           O  
HETATM    9  O   UNL     1       2.263   0.126  -0.145  1.00  0.00           O  
HETATM   10  C   UNL     1       3.430   0.819  -0.074  1.00  0.00           C  
HETATM   11  C   UNL     1       4.137   1.112  -1.232  1.00  0.00           C  
HETATM   12  C   UNL     1       5.323   1.816  -1.156  1.00  0.00           C  
HETATM   13  C   UNL     1       5.806   2.229   0.072  1.00  0.00           C  
HETATM   14  C   UNL     1       5.104   1.938   1.227  1.00  0.00           C  
HETATM   15  C   UNL     1       3.914   1.240   1.157  1.00  0.00           C  
HETATM   16  N   UNL     1       7.077   2.983   0.150  1.00  0.00           N1+
HETATM   17  O   UNL     1       7.697   3.239  -0.867  1.00  0.00           O  
HETATM   18  O   UNL     1       7.504   3.347   1.231  1.00  0.00           O1-
HETATM   19  C   UNL     1      -0.159  -1.316  -0.319  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.565  -0.595  -1.379  1.00  0.00           O  
HETATM   21  N   UNL     1      -1.686  -0.169  -1.228  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.192  -0.530  -0.073  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.199  -1.310   0.572  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.538  -0.193   0.452  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.882  -0.595   1.546  1.00  0.00           O  
HETATM   26  N   UNL     1      -4.380   0.559  -0.285  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.709   0.891   0.233  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.205   2.183  -0.422  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.619   2.493   0.077  1.00  0.00           C  
HETATM   30  N   UNL     1      -8.513   1.377  -0.259  1.00  0.00           N  
HETATM   31  C   UNL     1      -8.083   0.136   0.397  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.684  -0.244  -0.093  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.905   1.698   0.081  1.00  0.00           C  
HETATM   34  H   UNL     1       2.493  -5.082   0.148  1.00  0.00           H  
HETATM   35  H   UNL     1       4.447  -1.280   0.149  1.00  0.00           H  
HETATM   36  H   UNL     1       5.237  -4.088  -0.516  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.340  -4.297   0.703  1.00  0.00           H  
HETATM   38  H   UNL     1       3.760   0.789  -2.191  1.00  0.00           H  
HETATM   39  H   UNL     1       5.873   2.044  -2.057  1.00  0.00           H  
HETATM   40  H   UNL     1       5.484   2.261   2.185  1.00  0.00           H  
HETATM   41  H   UNL     1       3.364   1.017   2.059  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.251  -1.786   1.540  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.106   0.879  -1.159  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.655   1.028   1.313  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.539   3.004  -0.159  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.221   2.059  -1.505  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.600   2.630   1.158  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.980   3.404  -0.399  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.062   0.284   1.477  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.783  -0.664   0.154  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.707  -0.406  -1.170  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.359  -1.157   0.407  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.222   2.580  -0.476  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.546   0.855  -0.178  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.981   1.897   1.150  1.00  0.00           H  
CONECT    1    2    2    6   34                                       
CONECT    2    1    1    3    8                                       
CONECT    3    2    4    4   19                                       
CONECT    4    3    3    5    9                                       
CONECT    5    4    6    6   35                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6   36                                                 
CONECT    8    2   37                                                 
CONECT    9    4   10                                                 
CONECT   10    9   11   11   15                                       
CONECT   11   10   10   12   38                                       
CONECT   12   11   13   13   39                                       
CONECT   13   12   12   14   16                                       
CONECT   14   13   15   15   40                                       
CONECT   15   10   14   14   41                                       
CONECT   16   13   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16                                                      
CONECT   19    3   20   23   23                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   22                                            
CONECT   22   21   21   23   24                                       
CONECT   23   19   19   22   42                                       
CONECT   24   22   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   43                                            
CONECT   27   26   28   32   44                                       
CONECT   28   27   29   45   46                                       
CONECT   29   28   30   47   48                                       
CONECT   30   29   31   33                                            
CONECT   31   30   32   49   50                                       
CONECT   32   27   31   51   52                                       
CONECT   33   30   53   54   55                                       
CONECT   34    1                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   23                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
CONECT   45   28                                                      
CONECT   46   28                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
CONECT   49   31                                                      
CONECT   50   31                                                      
CONECT   51   32                                                      
CONECT   52   32                                                      
CONECT   53   33                                                      
CONECT   54   33                                                      
CONECT   55   33                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
