REMARK  Name = BDB036936
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        4.528   0.789   0.527  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        3.352   0.583   0.241  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1        2.506   1.615  -0.071  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1        2.901   2.544  -0.029  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1        1.190   1.549  -0.475  0.00  0.00    +0.236 C 
ATOM      6  O   LIG    1        0.602   2.589  -0.769  0.00  0.00    -0.274 OA
ATOM      7  C   LIG    1        0.585   0.129  -0.585  0.00  0.00    +0.144 C 
ATOM      8  C   LIG    1        1.281  -0.803   0.415  0.00  0.00    +0.037 C 
ATOM      9  C   LIG    1        2.779  -0.808   0.147  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   7  10
ATOM     10  N   LIG    1       -0.880   0.184  -0.477  0.00  0.00    -0.291 NA
ATOM     11  C   LIG    1       -1.437   0.560   0.818  0.00  0.00    +0.085 C 
ATOM     12  C   LIG    1       -2.927   0.345   0.600  0.00  0.00    +0.017 C 
ATOM     13  C   LIG    1       -3.020  -0.753  -0.456  0.00  0.00    +0.017 C 
ATOM     14  C   LIG    1       -1.584  -1.027  -0.882  0.00  0.00    +0.085 C 
ENDBRANCH   7  10
TORSDOF 1