REMARK  Name = BDB029505
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.621   2.125   0.456  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.595   1.451   0.440  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -4.597   0.155   0.887  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -5.525  -0.192   1.096  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -3.722  -0.816   0.465  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -4.083  -1.985   0.382  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -2.320  -0.335   0.137  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -1.492  -1.415  -0.571  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1       -0.115  -1.126  -0.199  0.00  0.00    -0.296 N 
ATOM     10  C   LIG    1        0.921  -1.883  -0.725  0.00  0.00    +0.250 C 
ATOM     11  O   LIG    1        0.717  -2.801  -1.515  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -0.053  -0.266   0.972  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -1.503  -0.131   1.427  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -2.434   0.933  -0.725  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -3.275   2.003  -0.042  0.00  0.00    +0.097 C 
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1        2.264  -1.569  -0.281  0.00  0.00    +0.082 A 
ATOM     17  C   LIG    1        2.992  -0.340  -0.325  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1        4.235  -0.617   0.234  0.00  0.00    +0.136 A 
ATOM     19  C   LIG    1        5.251   0.322   0.394  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1        4.983   1.618  -0.059  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        3.757   1.936  -0.648  0.00  0.00    +0.001 A 
ATOM     22  O   LIG    1        4.317  -1.929   0.583  0.00  0.00    -0.462 OA
ATOM     23  C   LIG    1        2.753   0.968  -0.793  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        3.136  -2.503   0.241  0.00  0.00    +0.209 A 
ENDBRANCH  10  16
TORSDOF 1