REMARK  Name = BDB004122
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.097  -0.488   0.955  0.00  0.00    -0.225 N 
ATOM      2  C   LIG    1       -1.198   0.168   0.421  0.00  0.00    +0.043 C 
ATOM      3  C   LIG    1       -1.056   1.296  -0.489  0.00  0.00    +0.022 C 
ATOM      4  C   LIG    1       -2.098   1.816  -1.157  0.00  0.00    +0.006 C 
ATOM      5  C   LIG    1       -3.503   1.306  -0.983  0.00  0.00    +0.197 C 
ATOM      6  C   LIG    1       -3.701   0.360   0.213  0.00  0.00    +0.072 C 
ATOM      7  C   LIG    1       -2.428  -0.238   0.774  0.00  0.00    -0.009 C 
ATOM      8  C   LIG    1       -2.600  -1.358   1.737  0.00  0.00    +0.267 C 
ATOM      9  O   LIG    1       -1.458  -1.554   2.567  0.00  0.00    -0.446 OA
ATOM     10  C   LIG    1       -0.210  -1.315   2.084  0.00  0.00    +0.408 C 
ATOM     11  O   LIG    1        0.763  -1.783   2.672  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        5.319  -1.458  -0.639  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        4.231  -0.992  -0.301  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        3.251  -1.832   0.167  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        3.529  -2.798   0.037  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        1.884  -1.679   0.074  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        1.205  -2.612  -0.359  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        1.276  -0.299   0.428  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        2.153   0.515   1.388  0.00  0.00    +0.033 C 
ATOM     20  C   LIG    1        3.349   1.184   0.709  0.00  0.00    +0.011 C 
ATOM     21  C   LIG    1        3.909   0.467  -0.511  0.00  0.00    +0.096 C 
ENDBRANCH   1  18
BRANCH   5  22
ATOM     22  N   LIG    1       -3.904   0.589  -2.262  0.00  0.00    +0.030 N 
ATOM     23  O   LIG    1       -3.387  -0.510  -2.505  0.00  0.00    -0.131 OA
ATOM     24  O   LIG    1       -4.734   1.163  -2.981  0.00  0.00    -0.131 OA
ENDBRANCH   5  22
TORSDOF 2