REMARK  Name = BDB008504
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.425   0.308  -0.244  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1        0.043   1.421   0.414  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1       -0.533   2.203   0.692  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        1.387   1.264   0.635  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        1.685   0.012   0.098  0.00  0.00    +0.101 A 
ATOM      6  C   LIG    1        3.012  -0.449   0.174  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        3.987   0.365   0.782  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        3.647   1.614   1.307  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        2.334   2.090   1.246  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        0.554  -0.546  -0.459  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -2.123   0.987  -1.920  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -1.871   0.175  -0.638  0.00  0.00    +0.075 C 
ATOM     13  N   LIG    1       -2.755   0.639   0.465  0.00  0.00    -0.305 NA
ATOM     14  H   LIG    1       -2.401   0.201   1.320  0.00  0.00    +0.123 HD
ATOM     15  C   LIG    1       -4.065   0.021   0.203  0.00  0.00    +0.082 C 
ATOM     16  C   LIG    1       -3.792  -1.284  -0.530  0.00  0.00    +0.017 C 
ATOM     17  C   LIG    1       -2.294  -1.287  -0.798  0.00  0.00    +0.031 C 
ENDBRANCH   1  12
BRANCH   6  18
ATOM     18  C   LIG    1        3.378  -1.776  -0.358  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1        2.722  -2.785  -0.147  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1        4.527  -1.823  -1.104  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1        4.918  -0.984  -1.509  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1        4.692  -2.698  -1.585  0.00  0.00    +0.145 HD
ENDBRANCH   6  18
TORSDOF 2