COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.249   1.516   0.572  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.649  -0.580  -2.697  1.00  0.00           C  
HETATM    3  O   UNL     1      -4.403   0.799  -0.622  1.00  0.00           O  
HETATM    4  N   UNL     1      -1.378   2.672   0.919  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.091   1.740   0.258  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.493   1.026  -0.796  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.225   0.044  -1.504  1.00  0.00           N  
HETATM    8  S   UNL     1      -3.732  -0.401  -0.983  1.00  0.00           S  
HETATM    9  C   UNL     1      -3.520  -1.319   0.506  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.515  -0.668   1.725  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.349  -1.388   2.893  1.00  0.00           C  
HETATM   12  O   UNL     1       0.524   3.771   1.192  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.101   2.926   0.581  1.00  0.00           C  
HETATM   14  N   UNL     1       0.496   2.258  -0.424  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.193   1.297  -1.128  1.00  0.00           C  
HETATM   16  O   UNL     1      -4.238  -1.313  -1.948  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.363  -2.692   0.455  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.196  -3.412   1.623  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.187  -2.760   2.842  1.00  0.00           C  
HETATM   20  C   UNL     1       1.888   2.556  -0.770  1.00  0.00           C  
HETATM   21  N   UNL     1       0.418   0.615  -2.155  1.00  0.00           N  
HETATM   22  C   UNL     1       3.188   0.439  -0.470  1.00  0.00           C  
HETATM   23  C   UNL     1       2.806   1.669   0.031  1.00  0.00           C  
HETATM   24  C   UNL     1       3.267   2.087   1.265  1.00  0.00           C  
HETATM   25  C   UNL     1       4.030  -0.376   0.266  1.00  0.00           C  
HETATM   26  C   UNL     1       4.491   0.042   1.501  1.00  0.00           C  
HETATM   27  C   UNL     1       4.109   1.273   2.000  1.00  0.00           C  
HETATM   28 BR   UNL     1       4.552  -2.060  -0.418  1.00  0.00          Br  
HETATM   29  H   UNL     1      -1.180  -1.525  -2.423  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.437  -0.763  -3.428  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.900   0.085  -3.129  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.790   3.168   1.644  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.642   0.404   1.765  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.344  -0.879   3.846  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.371  -3.201  -0.498  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.074  -4.484   1.583  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.056  -3.323   3.754  1.00  0.00           H  
HETATM   38  H   UNL     1       2.044   2.375  -1.834  1.00  0.00           H  
HETATM   39  H   UNL     1       2.103   3.601  -0.544  1.00  0.00           H  
HETATM   40  H   UNL     1       0.126  -0.281  -2.384  1.00  0.00           H  
HETATM   41  H   UNL     1       1.141   1.031  -2.649  1.00  0.00           H  
HETATM   42  H   UNL     1       2.824   0.111  -1.432  1.00  0.00           H  
HETATM   43  H   UNL     1       2.969   3.049   1.656  1.00  0.00           H  
HETATM   44  H   UNL     1       5.149  -0.593   2.076  1.00  0.00           H  
HETATM   45  H   UNL     1       4.469   1.600   2.965  1.00  0.00           H  
CONECT    1    5    5                                                 
CONECT    2    7   29   30   31                                       
CONECT    3    8    8                                                 
CONECT    4    5   13   32                                            
CONECT    5    1    1    4    6                                       
CONECT    6    5    7   15   15                                       
CONECT    7    2    6    8                                            
CONECT    8    3    3    7    9                                       
CONECT    8   16   16                                                 
CONECT    9    8   10   10   17                                       
CONECT   10    9    9   11   33                                       
CONECT   11   10   19   19   34                                       
CONECT   12   13   13                                                 
CONECT   13    4   12   12   14                                       
CONECT   14   13   15   20                                            
CONECT   15    6    6   14   21                                       
CONECT   16    8    8                                                 
CONECT   17    9   18   18   35                                       
CONECT   18   17   17   19   36                                       
CONECT   19   11   11   18   37                                       
CONECT   20   14   23   38   39                                       
CONECT   21   15   40   41                                            
CONECT   22   23   23   25   42                                       
CONECT   23   20   22   22   24                                       
CONECT   24   23   27   27   43                                       
CONECT   25   22   26   26   28                                       
CONECT   26   25   25   27   44                                       
CONECT   27   24   24   26   45                                       
CONECT   28   25                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   24                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
