REMARK  Name = BDB002991
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.003  -0.293   0.105  0.00  0.00    +0.161 A 
ATOM      2  N   LIG    1        1.996  -1.628   0.235  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1        0.811  -2.239   0.305  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1       -0.415  -1.557   0.251  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1       -1.615  -2.312   0.342  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -1.592  -3.700   0.477  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -0.374  -4.357   0.525  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.307  -0.160   0.110  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        0.809  -3.622   0.440  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        0.895   0.463   0.040  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        5.820   1.701  -0.118  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        5.762   0.317   0.017  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.522  -0.328   0.090  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        3.312   0.390   0.029  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1        3.405   1.790  -0.109  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        4.642   2.438  -0.181  0.00  0.00    +0.001 A 
ENDBRANCH   1  14
BRANCH   8  17
ATOM     17  C   LIG    1       -1.484   0.795   0.003  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -2.301   0.610  -1.284  0.00  0.00    +0.010 C 
ATOM     19  C   LIG    1       -3.353   1.710  -1.455  0.00  0.00    +0.001 C 
ATOM     20  C   LIG    1       -3.942   2.216  -0.136  0.00  0.00    +0.000 C 
ATOM     21  C   LIG    1       -3.817   1.192   0.984  0.00  0.00    +0.001 C 
ATOM     22  C   LIG    1       -2.354   0.852   1.274  0.00  0.00    +0.010 C 
ENDBRANCH   8  17
TORSDOF 2