REMARK  Name = BDB004013
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.253   1.016   0.426  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1       -2.669  -0.126  -0.190  0.00  0.00    -0.003 A 
ATOM      3  C   LIG    1       -3.402  -1.167  -0.815  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -2.777  -2.270  -1.404  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -1.394  -2.369  -1.393  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -0.643  -1.353  -0.799  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        0.843  -1.445  -0.797  0.00  0.00    +0.265 A 
ATOM      8  N   LIG    1        1.592  -0.419  -0.213  0.00  0.00    -0.258 N 
ATOM      9  C   LIG    1        0.989   0.682   0.363  0.00  0.00    +0.149 A 
ATOM     10  C   LIG    1       -0.469   0.805   0.381  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -1.072   1.927   0.954  0.00  0.00    +0.013 A 
ATOM     12  N   LIG    1        1.879   1.522   0.849  0.00  0.00    -0.227 NA
ATOM     13  C   LIG    1        3.099   0.951   0.582  0.00  0.00    +0.090 A 
ATOM     14  C   LIG    1        4.384   1.426   0.884  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        5.494   0.660   0.507  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        5.328  -0.555  -0.158  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        4.055  -1.046  -0.467  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1        2.957  -0.265  -0.082  0.00  0.00    +0.077 A 
ATOM     19  O   LIG    1        1.427  -2.400  -1.296  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -1.253  -0.224  -0.199  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -2.458   2.035   0.972  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  23
ATOM     22  O   LIG    1       -5.291   2.279   0.299  0.00  0.00    -0.245 OA
ATOM     23  C   LIG    1       -4.712   1.234   0.526  0.00  0.00    +0.337 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -5.354   0.160   1.016  0.00  0.00    -0.477 OA
ATOM     25  H   LIG    1       -6.283   0.459   1.112  0.00  0.00    +0.295 HD
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 2