REMARK  Name = BDB003059
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.043  -0.424   0.651  0.00  0.00    -0.293 N 
ATOM      2  C   LIG    1        1.681  -0.379   0.423  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        0.929   0.535   0.703  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        1.288  -1.640  -0.236  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        2.479  -2.381  -0.387  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        2.490  -3.634  -0.975  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        1.281  -4.153  -1.420  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.093  -3.416  -1.270  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        0.062  -2.133  -0.672  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        3.654  -1.634   0.154  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -1.295  -1.486  -0.591  0.00  0.00    +0.249 C 
ATOM     12  N   LIG    1       -1.401  -0.223  -0.053  0.00  0.00    -0.281 N 
ATOM     13  H   LIG    1       -0.552   0.228   0.283  0.00  0.00    +0.155 HD
ATOM     14  O   LIG    1       -2.248  -2.135  -1.020  0.00  0.00    -0.270 OA
BRANCH  12  15
ATOM     15  C   LIG    1       -2.569   0.558   0.108  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1       -3.849   0.150  -0.279  0.00  0.00    +0.072 A 
ATOM     17  C   LIG    1       -4.902   1.019  -0.061  0.00  0.00    +0.168 A 
ATOM     18  O   LIG    1       -6.205   0.780  -0.377  0.00  0.00    -0.453 OA
ATOM     19  C   LIG    1       -6.822   2.004   0.070  0.00  0.00    +0.466 C 
ATOM     20  O   LIG    1       -5.888   2.945   0.638  0.00  0.00    -0.453 OA
ATOM     21  C   LIG    1       -4.724   2.253   0.516  0.00  0.00    +0.166 A 
ATOM     22  C   LIG    1       -3.481   2.691   0.910  0.00  0.00    +0.051 A 
ATOM     23  C   LIG    1       -2.397   1.831   0.702  0.00  0.00    +0.027 A 
ENDBRANCH  12  15
ENDBRANCH   9  11
BRANCH   1  24
ATOM     24  C   LIG    1        3.816   0.653   1.243  0.00  0.00    +0.108 C 
BRANCH  24  26
ATOM     25  C   LIG    1        3.703   2.225  -0.755  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        4.599   1.472   0.217  0.00  0.00    +0.016 C 
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 4