REMARK  Name = BDB018231
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.606  -0.034  -0.861  0.00  0.00    +0.021 A 
ATOM      2  C   LIG    1        0.505   0.549  -0.291  0.00  0.00    +0.117 A 
ATOM      3  N   LIG    1        1.436   0.670  -1.290  0.00  0.00    -0.264 N 
ATOM      4  N   LIG    1        0.987   0.221  -2.483  0.00  0.00    -0.178 NA
ATOM      5  C   LIG    1       -0.246  -0.216  -2.214  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1  12
ATOM      6  C   LIG    1       -4.285  -0.602  -0.354  0.00  0.00    +0.185 A 
ATOM      7  C   LIG    1       -4.291  -1.058   1.090  0.00  0.00    +0.293 A 
ATOM      8  O   LIG    1       -5.347  -1.369   1.640  0.00  0.00    -0.264 OA
ATOM      9  N   LIG    1       -3.051  -1.096   1.728  0.00  0.00    -0.315 N 
ATOM     10  C   LIG    1       -2.981  -1.531   3.115  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -1.873  -0.764   1.085  0.00  0.00    +0.097 A 
ATOM     12  C   LIG    1       -1.834  -0.368  -0.201  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -3.102  -0.288  -0.916  0.00  0.00    +0.061 A 
BRANCH   6  15
ATOM     14  C   LIG    1       -5.580  -0.119  -2.323  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -5.521  -0.544  -0.970  0.00  0.00    -0.490 OA
ENDBRANCH   6  15
ENDBRANCH   1  12
BRANCH   3  16
ATOM     16  C   LIG    1        2.782   1.251  -1.192  0.00  0.00    +0.134 C 
ATOM     17  C   LIG    1        2.695   2.778  -1.114  0.00  0.00    +0.038 C 
BRANCH  16  18
ATOM     18  C   LIG    1        3.585   0.570  -0.089  0.00  0.00    -0.023 A 
ATOM     19  C   LIG    1        4.040  -0.746  -0.298  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        4.769  -1.419   0.684  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.054  -0.789   1.892  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.610   0.511   2.119  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.879   1.186   1.138  0.00  0.00    +0.006 A 
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 4