REMARK  Name = BDB046916
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.637  -0.893   0.417  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        4.678  -0.158   0.215  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1        3.337  -0.683  -0.092  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        2.308   0.240  -0.300  0.00  0.00    +0.100 A 
ATOM      5  C   LIG    1        1.042  -0.285  -0.584  0.00  0.00    +0.081 A 
ATOM      6  N   LIG    1        0.817  -1.630  -0.689  0.00  0.00    -0.256 NA
ATOM      7  C   LIG    1        1.846  -2.476  -0.479  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1        2.533   1.633  -0.233  0.00  0.00    -0.235 NA
ATOM      9  C   LIG    1        3.727   2.038   0.036  0.00  0.00    +0.199 A 
ATOM     10  C   LIG    1        3.122  -2.056  -0.175  0.00  0.00    +0.035 A 
ATOM     11  N   LIG    1        4.784   1.207   0.260  0.00  0.00    -0.313 N 
ATOM     12  H   LIG    1        5.700   1.578   0.468  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1       -0.117   0.670  -0.865  0.00  0.00    +0.142 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -1.482   0.117  -0.697  0.00  0.00    -0.297 NA
ATOM     15  C   LIG    1       -2.494   1.038  -1.208  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1       -3.861   0.348  -1.269  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1       -4.128  -0.571  -0.075  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -3.226  -0.218   1.097  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -1.744  -0.274   0.699  0.00  0.00    +0.085 C 
ENDBRANCH  13  14
ENDBRANCH   5  13
TORSDOF 2