REMARK  Name = BDB002297
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.256   0.053  -0.194  0.00  0.00    -0.233 N 
ATOM      2  H   LIG    1        1.494  -0.481  -1.024  0.00  0.00    +0.173 HD
ATOM      3  C   LIG    1        2.247   0.703   0.527  0.00  0.00    +0.264 C 
ATOM      4  O   LIG    1        2.031   1.710   1.204  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.631   0.169   0.415  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        4.718   0.987   0.759  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1        6.025   0.517   0.643  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        6.261  -0.783   0.199  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        5.189  -1.615  -0.122  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        3.877  -1.145  -0.013  0.00  0.00    +0.017 A 
BRANCH   6  11
ATOM     11  O   LIG    1        4.577   2.269   1.221  0.00  0.00    -0.506 OA
ATOM     12  H   LIG    1        3.622   2.428   1.390  0.00  0.00    +0.292 HD
ENDBRANCH   6  11
ENDBRANCH   3   5
BRANCH   1  13
ATOM     13  N   LIG    1        0.009   0.699  -0.247  0.00  0.00    -0.268 N 
ATOM     14  H   LIG    1        0.042   1.604   0.245  0.00  0.00    +0.170 HD
BRANCH  13  18
ATOM     15  C   LIG    1       -4.813   1.040   0.877  0.00  0.00    +0.011 C 
ATOM     16  C   LIG    1       -3.735   0.240   0.123  0.00  0.00    -0.023 C 
ATOM     17  C   LIG    1       -2.349   0.857   0.418  0.00  0.00    +0.059 C 
ATOM     18  C   LIG    1       -1.173   0.003  -0.025  0.00  0.00    +0.026 C 
ATOM     19  C   LIG    1       -1.311  -1.324  -0.192  0.00  0.00    +0.066 C 
ATOM     20  C   LIG    1       -2.588  -2.020   0.082  0.00  0.00    +0.158 C 
ATOM     21  O   LIG    1       -2.650  -3.238  -0.073  0.00  0.00    -0.293 OA
ATOM     22  C   LIG    1       -3.759  -1.219   0.605  0.00  0.00    +0.085 C 
ATOM     23  C   LIG    1       -4.053   0.314  -1.385  0.00  0.00    +0.011 C 
ENDBRANCH  13  18
ENDBRANCH   1  13
TORSDOF 4