REMARK  Name = BDB025516
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.250   1.109   0.291  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1       -1.604   0.679   0.317  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1       -2.201  -0.596   0.450  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1       -3.531  -0.427   0.144  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -4.685  -1.358   0.053  0.00  0.00    +0.068 C 
ATOM      6  C   LIG    1       -5.848  -0.662  -0.683  0.00  0.00    +0.165 C 
ATOM      7  O   LIG    1       -6.128   0.631  -0.115  0.00  0.00    -0.373 OA
ATOM      8  C   LIG    1       -5.038   1.568  -0.314  0.00  0.00    +0.217 C 
ATOM      9  C   LIG    1       -3.708   0.957  -0.012  0.00  0.00    +0.094 A 
ATOM     10  N   LIG    1       -2.576   1.637   0.133  0.00  0.00    -0.165 NA
ATOM     11  O   LIG    1       -0.007   2.314   0.324  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     12  C   LIG    1        5.861   0.189  -0.564  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1        4.626   0.496   0.240  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1        3.346   0.055  -0.168  0.00  0.00    +0.034 A 
ATOM     15  N   LIG    1        3.208  -0.662  -1.371  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1        4.029  -1.221  -1.582  0.00  0.00    +0.146 HD
ATOM     17  C   LIG    1        1.962  -1.381  -1.559  0.00  0.00    +0.102 C 
ATOM     18  C   LIG    1        0.795  -0.448  -1.315  0.00  0.00    +0.036 C 
ATOM     19  C   LIG    1        0.805   0.023   0.144  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1        2.211   0.453   0.575  0.00  0.00    -0.014 A 
ATOM     21  C   LIG    1        2.387   1.167   1.775  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        3.655   1.550   2.198  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        4.767   1.226   1.430  0.00  0.00    +0.005 A 
ENDBRANCH   1  19
BRANCH   3  24
ATOM     24  N   LIG    1       -1.581  -1.749   0.820  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1       -0.976  -1.713   1.642  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1       -2.183  -2.567   0.924  0.00  0.00    +0.144 HD
ENDBRANCH   3  24
TORSDOF 2