REMARK  Name = BDB004109
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.043   1.413  -0.568  0.00  0.00    +0.153 C 
ATOM      2  N   LIG    1        2.699   0.870  -0.446  0.00  0.00    -0.305 N 
ATOM      3  C   LIG    1        2.432  -0.205   0.445  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        1.134  -0.750   0.541  0.00  0.00    +0.069 A 
ATOM      5  C   LIG    1        0.919  -1.789   1.468  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        1.953  -2.295   2.260  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        3.228  -1.769   2.147  0.00  0.00    +0.002 A 
ATOM      8  N   LIG    1        0.077  -0.240  -0.283  0.00  0.00    -0.290 N 
ATOM      9  C   LIG    1        0.282   0.883  -1.084  0.00  0.00    +0.317 A 
ATOM     10  O   LIG    1       -0.619   1.433  -1.712  0.00  0.00    -0.262 OA
ATOM     11  C   LIG    1        3.463  -0.731   1.249  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        1.694   1.456  -1.204  0.00  0.00    +0.316 A 
ATOM     13  O   LIG    1        1.875   2.408  -1.960  0.00  0.00    -0.262 OA
ENDROOT
BRANCH   8  14
ATOM     14  C   LIG    1       -1.293  -0.795  -0.228  0.00  0.00    +0.177 C 
ATOM     15  C   LIG    1       -1.905  -1.067  -1.620  0.00  0.00    +0.242 C 
ATOM     16  O   LIG    1       -1.462  -1.983  -2.324  0.00  0.00    -0.273 OA
ATOM     17  N   LIG    1       -2.931  -0.313  -2.125  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -3.327  -0.850  -2.886  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -3.910   0.279  -1.375  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1       -5.063  -0.143  -1.388  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1       -3.500   1.502  -0.590  0.00  0.00    +0.096 C 
ATOM     22  C   LIG    1       -2.640   1.250   0.637  0.00  0.00    +0.012 C 
ATOM     23  C   LIG    1       -2.197  -0.187   0.848  0.00  0.00    +0.035 C 
ENDBRANCH   8  14
TORSDOF 1