REMARK  Name = BDB009287
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.299  -0.534   1.937  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.024  -0.137   2.162  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.045  -1.095   2.233  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -0.709  -2.453   2.119  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.616  -2.847   1.917  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.624  -1.888   1.828  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  13
ATOM      7  O   LIG    1        5.238   0.867  -3.906  0.00  0.00    -0.279 OA
ATOM      8  C   LIG    1        5.604   1.044  -2.752  0.00  0.00    +0.328 C 
ATOM      9  N   LIG    1        4.800   0.965  -1.638  0.00  0.00    -0.301 N 
ATOM     10  C   LIG    1        3.378   0.656  -1.768  0.00  0.00    +0.126 C 
ATOM     11  C   LIG    1        2.832  -0.091  -0.544  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1        3.144   0.581   0.729  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        2.353   0.501   1.872  0.00  0.00    +0.247 C 
ATOM     14  O   LIG    1        2.486   1.250   2.837  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        4.223   1.572   0.710  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        5.323   1.223  -0.299  0.00  0.00    +0.126 C 
ENDBRANCH   1  13
BRANCH   3  17
ATOM     17  C   LIG    1       -2.477  -0.677   2.476  0.00  0.00    +0.092 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.985   0.358   1.476  0.00  0.00    +0.069 A 
ATOM     19  C   LIG    1       -3.320  -0.059   0.078  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1       -3.224  -1.498  -0.347  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1       -3.925  -1.784  -1.679  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -3.610  -0.705  -2.707  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -4.054   0.671  -2.209  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -3.714   0.913  -0.764  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -3.830   2.313  -0.284  0.00  0.00    +0.268 A 
ATOM     26  O   LIG    1       -4.197   3.220  -1.023  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1       -3.509   2.524   1.029  0.00  0.00    -0.243 N 
ATOM     28  H   LIG    1       -3.578   3.474   1.377  0.00  0.00    +0.192 HD
ATOM     29  N   LIG    1       -3.083   1.580   1.909  0.00  0.00    -0.175 NA
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 3