REMARK  Name = BDB029430
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.875   0.557  -0.900  0.00  0.00    +0.054 C 
ATOM      2  C   LIG    1       -3.862   0.137   0.576  0.00  0.00    +0.037 C 
ATOM      3  C   LIG    1       -2.689   0.776   1.306  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1       -1.409   0.365   0.731  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -0.266   0.560   1.504  0.00  0.00    +0.247 C 
ATOM      6  O   LIG    1       -0.271   1.157   2.578  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -1.404  -0.028  -0.682  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -2.462   0.728  -1.480  0.00  0.00    +0.037 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        1.028   0.027   1.023  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1        2.126   0.893   0.972  0.00  0.00    +0.036 A 
ATOM     11  C   LIG    1        3.320   0.358   0.545  0.00  0.00    +0.038 A 
ATOM     12  N   LIG    1        4.535   1.008   0.402  0.00  0.00    -0.285 N 
ATOM     13  H   LIG    1        4.713   1.981   0.601  0.00  0.00    +0.155 HD
ATOM     14  C   LIG    1        5.522   0.140  -0.050  0.00  0.00    +0.222 C 
ATOM     15  C   LIG    1        4.879  -1.242  -0.222  0.00  0.00    +0.133 C 
ATOM     16  O   LIG    1        6.685   0.433  -0.268  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        3.459  -0.983   0.188  0.00  0.00    -0.017 A 
ATOM     18  C   LIG    1        2.386  -1.853   0.258  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1        1.159  -1.340   0.689  0.00  0.00    +0.013 A 
ENDBRANCH   5   9
BRANCH   1  20
ATOM     20  N   LIG    1       -4.673  -0.403  -1.668  0.00  0.00    -0.327 NA
ATOM     21  H   LIG    1       -4.228  -1.319  -1.663  0.00  0.00    +0.118 HD
ATOM     22  H   LIG    1       -4.722  -0.112  -2.644  0.00  0.00    +0.118 HD
ENDBRANCH   1  20
TORSDOF 2