COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.248  -0.158   1.395  1.00  0.00           C  
HETATM    2  C   UNL     1       4.139  -0.144   0.875  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.500  -0.329  -2.371  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.586  -0.398  -3.897  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.055  -0.429  -4.324  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.141  -0.498  -5.850  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.461   0.730  -6.455  1.00  0.00           C  
HETATM    8  C   UNL     1       0.007   0.762  -6.028  1.00  0.00           C  
HETATM    9  C   UNL     1       0.093   0.831  -4.502  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.492  -0.405   5.586  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.545   0.396   6.197  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.571   1.020   5.440  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.540   0.845   4.070  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.251  -0.218   0.069  1.00  0.00           N  
HETATM   15  C   UNL     1       0.884  -0.239  -0.618  1.00  0.00           C  
HETATM   16  O   UNL     1       0.871  -0.299  -1.972  1.00  0.00           O  
HETATM   17  C   UNL     1       2.089  -0.203   0.079  1.00  0.00           C  
HETATM   18  N   UNL     1       3.425  -0.202  -0.271  1.00  0.00           N  
HETATM   19  N   UNL     1       3.336  -0.105   1.902  1.00  0.00           N  
HETATM   20  C   UNL     1       2.057  -0.135   1.483  1.00  0.00           C  
HETATM   21  N   UNL     1       0.870  -0.117   2.097  1.00  0.00           N  
HETATM   22  N   UNL     1      -1.461  -0.139   2.067  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.489   0.040   3.453  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.470  -0.580   4.216  1.00  0.00           C  
HETATM   25  H   UNL     1       5.217  -0.132   0.932  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.001   0.573  -2.019  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.986  -1.204  -1.940  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.086  -1.300  -4.248  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.555   0.472  -3.972  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.540  -1.305  -3.893  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.188  -0.521  -6.154  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.641  -1.401  -6.202  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.522   0.681  -7.542  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.961   1.633  -6.103  1.00  0.00           H  
HETATM   35  H   UNL     1       0.507  -0.140  -6.380  1.00  0.00           H  
HETATM   36  H   UNL     1       0.492   1.637  -6.459  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.406   1.733  -4.150  1.00  0.00           H  
HETATM   38  H   UNL     1       1.140   0.853  -4.198  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.251  -0.892   6.180  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.567   0.535   7.268  1.00  0.00           H  
HETATM   41  H   UNL     1       0.166   1.645   5.920  1.00  0.00           H  
HETATM   42  H   UNL     1       0.221   1.332   3.480  1.00  0.00           H  
HETATM   43  H   UNL     1       3.784  -0.239  -1.171  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.290  -0.250   1.576  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.210  -1.207   3.739  1.00  0.00           H  
CONECT    1   14   14   21   22                                       
CONECT    2   18   19   19   25                                       
CONECT    3    4   16   26   27                                       
CONECT    4    3    5    9   28                                       
CONECT    5    4    6   29   30                                       
CONECT    6    5    7   31   32                                       
CONECT    7    6    8   33   34                                       
CONECT    8    7    9   35   36                                       
CONECT    9    4    8   37   38                                       
CONECT   10   11   11   24   39                                       
CONECT   11   10   10   12   40                                       
CONECT   12   11   13   13   41                                       
CONECT   13   12   12   23   42                                       
CONECT   14    1    1   15                                            
CONECT   15   14   16   17   17                                       
CONECT   16    3   15                                                 
CONECT   17   15   15   18   20                                       
CONECT   18    2   17   43                                            
CONECT   19    2    2   20                                            
CONECT   20   17   19   21   21                                       
CONECT   21    1   20   20                                            
CONECT   22    1   23   44                                            
CONECT   23   13   22   24   24                                       
CONECT   24   10   23   23   45                                       
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   18                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
