REMARK  Name = BDB004106
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.626  -0.152  -1.038  0.00  0.00    +0.149 A 
ATOM      2  C   LIG    1       -1.599   0.075  -0.087  0.00  0.00    +0.154 A 
ATOM      3  C   LIG    1       -1.863   0.702   1.213  0.00  0.00    +0.116 A 
ATOM      4  N   LIG    1       -0.706   0.790   1.888  0.00  0.00    -0.151 NA
ATOM      5  N   LIG    1        0.168   0.211   1.045  0.00  0.00    -0.170 N 
ATOM      6  C   LIG    1       -3.146   1.119   1.606  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -4.150   0.883   0.651  0.00  0.00    +0.006 A 
ATOM      8  N   LIG    1       -0.281  -0.196  -0.152  0.00  0.00    -0.148 NA
ATOM      9  C   LIG    1       -3.903   0.276  -0.613  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        1.588   0.159   1.383  0.00  0.00    +0.214 C 
ATOM     11  C   LIG    1        2.119  -1.254   1.218  0.00  0.00    +0.246 C 
ATOM     12  O   LIG    1        2.296  -1.994   2.187  0.00  0.00    -0.273 OA
ATOM     13  N   LIG    1        2.337  -1.741  -0.045  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        2.361  -2.755   0.001  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        3.439  -1.408  -0.778  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        4.122  -2.306  -1.273  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        3.872   0.033  -0.883  0.00  0.00    +0.096 C 
ATOM     18  C   LIG    1        2.767   1.064  -0.735  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1        2.390   1.282   0.726  0.00  0.00    +0.038 C 
ENDBRANCH   5  10
BRANCH   1  21
ATOM     20  C   LIG    1       -3.393  -0.981  -3.126  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -2.317  -0.735  -2.232  0.00  0.00    -0.493 OA
ENDBRANCH   1  21
TORSDOF 2