REMARK  Name = BDB046247
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.149   0.368   0.067  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.335   0.332   0.336  0.00  0.00    +0.236 C 
ATOM      3  N   LIG    1       -1.758   1.314   1.204  0.00  0.00    -0.197 N 
ATOM      4  H   LIG    1       -1.132   1.733   1.884  0.00  0.00    +0.182 HD
ATOM      5  O   LIG    1       -2.112  -0.479  -0.161  0.00  0.00    -0.274 OA
BRANCH   3   6
ATOM      6  O   LIG    1       -3.119   1.226   1.586  0.00  0.00    -0.295 OA
ATOM      7  H   LIG    1       -3.441   0.466   1.053  0.00  0.00    +0.241 HD
ENDBRANCH   3   6
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  C   LIG    1        0.565  -0.706  -0.930  0.00  0.00    +0.129 C 
BRANCH   8  10
ATOM      9  O   LIG    1        2.853   0.087  -0.649  0.00  0.00    -0.251 OA
ATOM     10  C   LIG    1        2.045  -0.659  -1.175  0.00  0.00    +0.305 C 
BRANCH  10  11
ATOM     11  O   LIG    1        2.438  -1.572  -2.083  0.00  0.00    -0.481 OA
ATOM     12  H   LIG    1        3.407  -1.446  -2.156  0.00  0.00    +0.295 HD
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   8
TORSDOF 5