REMARK  Name = BDB051863
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.203  -0.025  -0.212  0.00  0.00    -0.263 N 
ATOM      2  C   LIG    1        0.939   0.689   0.169  0.00  0.00    +0.252 C 
ATOM      3  O   LIG    1        1.023   1.811   0.635  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.120  -0.163  -0.091  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        1.630  -1.370  -0.610  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        2.472  -2.418  -0.950  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        3.838  -2.247  -0.758  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        4.334  -1.041  -0.237  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        3.484   0.034   0.104  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        0.144  -1.337  -0.718  0.00  0.00    +0.149 C 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -5.043  -0.909  -0.987  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -3.951  -0.008  -0.490  0.00  0.00    -0.049 A 
ATOM     13  C   LIG    1       -2.607  -0.414  -0.563  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1       -1.556   0.417  -0.134  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -1.895   1.681   0.363  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -3.228   2.102   0.426  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -4.252   1.264  -0.004  0.00  0.00    +0.003 A 
ENDBRANCH   1  14
BRANCH   9  18
ATOM     18  C   LIG    1        4.166   1.248   0.636  0.00  0.00    +0.242 C 
ATOM     19  O   LIG    1        5.340   1.198   0.996  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1        3.501   2.432   0.702  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1        2.485   2.491   0.649  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1        3.969   3.191   1.178  0.00  0.00    +0.145 HD
ENDBRANCH   9  18
TORSDOF 2