REMARK  Name = BDB054134
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.316   2.553   0.123  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -1.395   1.331   0.093  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1       -0.202   0.470   0.021  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -0.408  -0.915  -0.008  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        0.706  -1.753  -0.076  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        1.996  -1.215  -0.115  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        2.173   0.166  -0.085  0.00  0.00    +0.118 A 
ATOM      8  N   LIG    1       -1.691  -1.488   0.029  0.00  0.00    -0.237 NA
ATOM      9  C   LIG    1       -2.699  -0.687   0.093  0.00  0.00    +0.199 A 
ATOM     10  C   LIG    1        1.082   1.023  -0.017  0.00  0.00    +0.060 A 
ATOM     11  N   LIG    1       -2.598   0.673   0.125  0.00  0.00    -0.313 N 
ATOM     12  H   LIG    1       -3.423   1.252   0.175  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   7  13
ATOM     13  O   LIG    1        3.449   0.642  -0.125  0.00  0.00    -0.507 OA
ATOM     14  H   LIG    1        3.425   1.613  -0.098  0.00  0.00    +0.292 HD
ENDBRANCH   7  13
TORSDOF 1