REMARK  Name = BDB000596
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.473   0.371   0.171  0.00  0.00    +0.226 C 
ATOM      2  N   LIG    1        0.205  -0.174   0.384  0.00  0.00    -0.203 N 
ATOM      3  C   LIG    1       -0.895  -0.001  -0.502  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1       -2.032  -0.656  -0.035  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -3.249  -0.658  -0.694  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -3.320   0.043  -1.895  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.190   0.715  -2.392  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.681  -1.299   1.220  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1       -2.406  -1.963   1.925  0.00  0.00    -0.282 OA
ATOM     10  C   LIG    1       -0.971   0.697  -1.697  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -0.201  -0.963   1.470  0.00  0.00    +0.298 C 
ATOM     12  O   LIG    1        0.411  -1.350   2.444  0.00  0.00    -0.266 OA
ATOM     13  O   LIG    1        1.765   1.059  -0.809  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1        3.867   0.701   0.928  0.00  0.00    +0.013 C 
ATOM     15  C   LIG    1        2.518   0.070   1.238  0.00  0.00    +0.093 C 
ENDBRANCH   1  15
TORSDOF 1