REMARK  Name = BDB016939
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.394   1.429   0.371  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1        0.744   2.732   0.660  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1        1.939   3.417   0.232  0.00  0.00    +0.150 C 
ATOM      4  C   LIG    1       -0.227   3.272   1.452  0.00  0.00    +0.200 A 
ATOM      5  N   LIG    1       -1.182   2.408   1.699  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -0.816   1.249   1.034  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        3.740  -2.045  -2.797  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        2.846  -1.163  -1.977  0.00  0.00    -0.050 A 
ATOM      9  C   LIG    1        2.039  -0.200  -2.594  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        1.227   0.640  -1.827  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1        1.220   0.535  -0.432  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        2.031  -0.420   0.187  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        2.844  -1.260  -0.580  0.00  0.00    +0.004 A 
ENDBRANCH   1  11
BRANCH   6  14
ATOM     14  C   LIG    1       -1.640   0.043   1.071  0.00  0.00    +0.092 A 
ATOM     15  N   LIG    1       -1.367  -0.945   0.181  0.00  0.00    -0.253 NA
ATOM     16  C   LIG    1       -2.123  -2.062   0.211  0.00  0.00    +0.112 A 
ATOM     17  C   LIG    1       -3.177  -2.244   1.081  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1       -3.458  -1.209   1.971  0.00  0.00    +0.062 A 
ATOM     19  C   LIG    1       -2.678  -0.056   1.986  0.00  0.00    +0.045 A 
BRANCH  18  20
ATOM     20  C   LIG    1       -4.564  -1.330   2.938  0.00  0.00    +0.337 C 
ATOM     21  O   LIG    1       -4.449  -1.075   4.122  0.00  0.00    -0.245 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -5.716  -1.727   2.357  0.00  0.00    -0.477 OA
ATOM     23  H   LIG    1       -5.701  -1.720   1.381  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH   6  14
TORSDOF 4