REMARK  Name = BDB007297
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.563   0.383  -2.468  0.00  0.00    +0.171 C 
ATOM      2  N   LIG    1        0.174   0.637  -1.073  0.00  0.00    -0.283 N 
ATOM      3  N   LIG    1        0.167  -0.543  -0.236  0.00  0.00    -0.246 N 
ATOM      4  C   LIG    1        1.000  -0.361   0.877  0.00  0.00    +0.276 A 
ATOM      5  O   LIG    1        1.094  -1.095   1.846  0.00  0.00    -0.266 OA
ATOM      6  C   LIG    1        1.679   0.925   0.726  0.00  0.00    +0.078 A 
ATOM      7  C   LIG    1        2.633   1.592   1.486  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        3.011   2.874   1.035  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        2.452   3.448  -0.116  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        1.501   2.749  -0.856  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        1.125   1.480  -0.435  0.00  0.00    +0.071 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1       -1.107  -1.253  -0.040  0.00  0.00    +0.111 C 
ATOM     13  C   LIG    1       -2.160  -0.366   0.651  0.00  0.00    +0.042 C 
ATOM     14  C   LIG    1       -3.556  -0.940   0.447  0.00  0.00    +0.083 C 
ATOM     15  N   LIG    1       -3.945  -1.000  -0.963  0.00  0.00    -0.316 NA
ATOM     16  H   LIG    1       -4.623  -1.751  -1.095  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1       -2.825  -1.149  -1.892  0.00  0.00    +0.083 C 
ATOM     18  C   LIG    1       -1.658  -1.931  -1.301  0.00  0.00    +0.042 C 
ENDBRANCH   3  12
BRANCH   7  19
ATOM     19  C   LIG    1        3.314   1.106   2.718  0.00  0.00    +0.242 C 
ATOM     20  O   LIG    1        4.087   1.835   3.334  0.00  0.00    -0.270 OA
ATOM     21  N   LIG    1        3.096  -0.158   3.169  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1        2.350  -0.759   2.822  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1        3.508  -0.411   4.056  0.00  0.00    +0.145 HD
ENDBRANCH   7  19
TORSDOF 2