REMARK  Name = BDB031565
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.512  -0.097  -0.477  0.00  0.00    -0.304 N 
ATOM      2  H   LIG    1       -0.025  -0.933  -0.158  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        0.243   0.853  -1.130  0.00  0.00    +0.218 C 
ATOM      4  O   LIG    1       -0.101   2.027  -1.231  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -5.539  -0.423   1.602  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -4.394  -0.157   1.248  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -3.321  -0.842   1.759  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -3.560  -1.618   2.361  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -2.057  -0.876   1.225  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -1.273  -1.784   1.504  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -1.689   0.282   0.291  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -2.885   0.598  -0.601  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -4.085   0.948   0.266  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        1.530   0.322  -1.737  0.00  0.00    +0.130 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.569  -0.014  -0.696  0.00  0.00    -0.039 A 
ATOM     16  C   LIG    1        3.163   1.004   0.063  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        4.114   0.697   1.037  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.480  -0.628   1.261  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        3.897  -1.648   0.511  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        2.946  -1.344  -0.465  0.00  0.00    +0.004 A 
ENDBRANCH  14  15
ENDBRANCH   3  14
TORSDOF 3