COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.808  -0.097  -1.111  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.566   0.579  -0.459  1.00  0.00           O  
HETATM    3  O   UNL     1      -3.231  -0.675  -2.246  1.00  0.00           O  
HETATM    4  N   UNL     1       2.359   0.205  -8.675  1.00  0.00           N  
HETATM    5  C   UNL     1       1.450  -0.747  -8.761  1.00  0.00           C  
HETATM    6  C   UNL     1       0.674  -1.085  -7.673  1.00  0.00           C  
HETATM    7  C   UNL     1       0.861  -0.404  -6.470  1.00  0.00           C  
HETATM    8  C   UNL     1       1.827   0.599  -6.422  1.00  0.00           C  
HETATM    9  C   UNL     1       2.566   0.872  -7.554  1.00  0.00           C  
HETATM   10  N   UNL     1       0.098  -0.715  -5.348  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.386  -0.293  -0.651  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.427   0.238  -1.718  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.648  -0.520  -3.027  1.00  0.00           C  
HETATM   14  C   UNL     1       0.310   0.011  -4.094  1.00  0.00           C  
HETATM   15  N   UNL     1       2.656   1.346   6.870  1.00  0.00           N  
HETATM   16  N   UNL     1       2.501  -0.500   8.267  1.00  0.00           N  
HETATM   17  C   UNL     1       2.130   0.184   7.131  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.772   1.843   3.004  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.150   2.517   1.861  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.348   1.824   0.680  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.168   0.454   0.638  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.784  -0.229   1.774  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.589   0.462   2.967  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.362  -2.193   5.623  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.739  -1.512   4.482  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.182  -0.267   4.194  1.00  0.00           C  
HETATM   27  C   UNL     1       0.751   0.291   5.060  1.00  0.00           C  
HETATM   28  C   UNL     1       1.132  -0.401   6.206  1.00  0.00           C  
HETATM   29  C   UNL     1       0.567  -1.647   6.484  1.00  0.00           C  
HETATM   30  H   UNL     1      -4.144  -0.550  -2.541  1.00  0.00           H  
HETATM   31  H   UNL     1       1.312  -1.269  -9.697  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.067  -1.866  -7.751  1.00  0.00           H  
HETATM   33  H   UNL     1       2.001   1.149  -5.509  1.00  0.00           H  
HETATM   34  H   UNL     1       3.320   1.645  -7.525  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.573  -1.413  -5.396  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.199  -1.355  -0.492  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.614   1.300  -1.877  1.00  0.00           H  
HETATM   38  H   UNL     1       0.601   0.096  -1.385  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.461  -1.582  -2.868  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.676  -0.379  -3.360  1.00  0.00           H  
HETATM   41  H   UNL     1       0.123   1.073  -4.254  1.00  0.00           H  
HETATM   42  H   UNL     1       1.338  -0.130  -3.761  1.00  0.00           H  
HETATM   43  H   UNL     1       2.394   1.828   6.070  1.00  0.00           H  
HETATM   44  H   UNL     1       3.154  -0.116   8.873  1.00  0.00           H  
HETATM   45  H   UNL     1       2.106  -1.364   8.464  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.618   2.385   3.926  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.293   3.587   1.888  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.644   2.356  -0.212  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.644  -1.299   1.740  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.796  -3.158   5.842  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.467  -1.945   3.812  1.00  0.00           H  
HETATM   52  H   UNL     1       1.185   1.256   4.841  1.00  0.00           H  
HETATM   53  H   UNL     1       0.858  -2.184   7.375  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1   30                                                 
CONECT    4    5    5    9                                            
CONECT    5    4    4    6   31                                       
CONECT    6    5    7    7   32                                       
CONECT    7    6    6    8   10                                       
CONECT    8    7    9    9   33                                       
CONECT    9    4    8    8   34                                       
CONECT   10    7   14   35                                            
CONECT   11    1   12   21   36                                       
CONECT   12   11   13   37   38                                       
CONECT   13   12   14   39   40                                       
CONECT   14   10   13   41   42                                       
CONECT   15   17   17   43                                            
CONECT   16   17   44   45                                            
CONECT   17   15   15   16   28                                       
CONECT   18   19   19   23   46                                       
CONECT   19   18   18   20   47                                       
CONECT   20   19   21   21   48                                       
CONECT   21   11   20   20   22                                       
CONECT   22   21   23   23   49                                       
CONECT   23   18   22   22   26                                       
CONECT   24   25   25   29   50                                       
CONECT   25   24   24   26   51                                       
CONECT   26   23   25   27   27                                       
CONECT   27   26   26   28   52                                       
CONECT   28   17   27   29   29                                       
CONECT   29   24   28   28   53                                       
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   22                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   27                                                      
CONECT   53   29                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
