REMARK  Name = BDB046986
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.434  -1.538   0.562  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.300  -1.319   0.143  0.00  0.00    +0.246 C 
ATOM      3  C   LIG    1       -2.857   0.071  -0.127  0.00  0.00    +0.061 A 
ATOM      4  C   LIG    1       -1.515   0.504  -0.220  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -1.205   1.853  -0.446  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.242   2.795  -0.595  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -3.569   2.383  -0.504  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.206   1.974  -0.461  0.00  0.00    +0.036 A 
ATOM      9  C   LIG    1        0.754   0.730  -0.225  0.00  0.00    +0.050 A 
ATOM     10  N   LIG    1       -0.302  -0.160  -0.130  0.00  0.00    -0.338 N 
ATOM     11  C   LIG    1       -0.150  -1.600   0.006  0.00  0.00    +0.141 C 
ATOM     12  C   LIG    1       -1.202  -2.381  -0.762  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1       -3.866   1.046  -0.267  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -2.477  -2.388  -0.084  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1       -2.945  -3.275   0.065  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  16
ATOM     16  C   LIG    1        2.166   0.373  -0.109  0.00  0.00    -0.001 A 
ATOM     17  C   LIG    1        3.019   0.512  -1.210  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        4.369   0.171  -1.103  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.875  -0.305   0.106  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.034  -0.436   1.210  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        2.684  -0.096   1.105  0.00  0.00    +0.010 A 
ENDBRANCH   9  16
TORSDOF 1