REMARK  Name = BDB000219
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.312   0.405  -0.757  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.073   0.207  -0.275  0.00  0.00    -0.196 NA
ATOM      3  C   LIG    1       -0.896   0.745  -1.034  0.00  0.00    +0.146 A 
ATOM      4  C   LIG    1       -0.714   1.452  -2.211  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1       -1.995   1.832  -2.681  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1       -2.924   1.349  -1.783  0.00  0.00    +0.088 A 
ATOM      7  C   LIG    1        0.601   1.609  -2.626  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1       -2.248   0.691  -0.781  0.00  0.00    -0.329 N 
ATOM      9  N   LIG    1        1.603   1.080  -1.887  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -2.858   0.027   0.372  0.00  0.00    +0.089 C 
ATOM     11  C   LIG    1       -3.631  -1.233  -0.056  0.00  0.00    +0.025 C 
ATOM     12  C   LIG    1       -4.561  -1.706   1.055  0.00  0.00    +0.002 C 
ATOM     13  C   LIG    1       -5.616  -0.656   1.407  0.00  0.00    +0.000 C 
ATOM     14  C   LIG    1       -5.197   0.777   1.075  0.00  0.00    +0.002 C 
ATOM     15  C   LIG    1       -3.696   0.991   1.239  0.00  0.00    +0.025 C 
ENDBRANCH   8  10
BRANCH   1  16
ATOM     16  N   LIG    1        2.321  -0.146   0.034  0.00  0.00    -0.284 N 
ATOM     17  H   LIG    1        1.889  -0.616   0.817  0.00  0.00    +0.155 HD
BRANCH  16  20
ATOM     18  C   LIG    1        5.824  -0.972   0.898  0.00  0.00    +0.061 A 
ATOM     19  C   LIG    1        4.430  -0.846   0.958  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1        3.707  -0.277  -0.102  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        4.430   0.164  -1.216  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        5.821   0.018  -1.292  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        6.522  -0.557  -0.237  0.00  0.00    +0.015 A 
BRANCH  18  25
ATOM     24  O   LIG    1        6.085  -2.533   2.671  0.00  0.00    -0.245 OA
ATOM     25  C   LIG    1        6.523  -1.579   2.052  0.00  0.00    +0.337 C 
BRANCH  25  26
ATOM     26  O   LIG    1        7.665  -0.936   2.373  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1        7.797  -0.090   1.904  0.00  0.00    +0.295 HD
ENDBRANCH  25  26
ENDBRANCH  18  25
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 5