REMARK  Name = BDB051260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.879   2.975  -0.034  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -2.976   2.149   0.036  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1       -3.260   0.715   0.350  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1       -2.217  -0.220   0.427  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1       -2.469  -1.562   0.720  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -3.785  -1.971   0.939  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.833  -1.048   0.866  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -0.918   0.255   0.197  0.00  0.00    -0.215 N 
ATOM      9  C   LIG    1       -0.654   1.569  -0.092  0.00  0.00    +0.138 A 
ATOM     10  C   LIG    1        0.704   1.663  -0.253  0.00  0.00    +0.076 A 
ATOM     11  C   LIG    1        1.200   0.341  -0.043  0.00  0.00    +0.095 A 
ATOM     12  N   LIG    1        0.191  -0.507   0.232  0.00  0.00    -0.164 NA
ATOM     13  C   LIG    1       -4.574   0.294   0.572  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -1.657   2.506  -0.173  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1       -1.462   3.476  -0.387  0.00  0.00    +0.170 HD
ENDROOT
BRANCH  11  16
ATOM     16  C   LIG    1        2.594  -0.126  -0.096  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        2.899  -1.477   0.141  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1        4.219  -1.937   0.094  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        5.250  -1.048  -0.191  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1        6.875  -1.608  -0.249  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1        4.971   0.296  -0.429  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        3.649   0.754  -0.381  0.00  0.00    +0.011 A 
ENDBRANCH  11  16
TORSDOF 1