REMARK  Name = BDB016233
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.922  -1.391   0.077  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1        1.774  -0.426  -0.211  0.00  0.00    +0.179 C 
ATOM      3  O   LIG    1        0.685  -0.845   0.608  0.00  0.00    -0.487 OA
ATOM      4  C   LIG    1       -0.548  -0.380   0.250  0.00  0.00    +0.145 A 
ATOM      5  C   LIG    1       -0.858   0.806  -0.432  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1       -2.206   1.068  -0.738  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -3.224   0.195  -0.350  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -2.903  -0.952   0.354  0.00  0.00    +0.120 A 
ATOM      9  N   LIG    1        0.043   1.806  -0.841  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1       -0.344   2.588  -1.358  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        1.375   1.971  -0.633  0.00  0.00    +0.221 C 
ATOM     12  O   LIG    1        1.920   2.979  -1.090  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -1.580  -1.243   0.658  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        2.154   0.985   0.180  0.00  0.00    +0.140 C 
ENDROOT
BRANCH   8  15
ATOM     15  O   LIG    1       -3.921  -1.777   0.729  0.00  0.00    -0.507 OA
ATOM     16  H   LIG    1       -3.549  -2.527   1.222  0.00  0.00    +0.292 HD
ENDBRANCH   8  15
TORSDOF 1