REMARK  Name = BDB052174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.039   0.596  -0.924  0.00  0.00    -0.311 OA
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -1.319   0.958  -1.382  0.00  0.00    -0.074 NA
ATOM      3  C   LIG    1       -2.268   0.498  -0.627  0.00  0.00    +0.104 C 
ATOM      4  C   LIG    1       -2.104  -0.329   0.595  0.00  0.00    +0.038 C 
ATOM      5  C   LIG    1       -3.149  -0.758   1.316  0.00  0.00    -0.001 C 
ATOM      6  C   LIG    1       -3.001  -1.592   2.551  0.00  0.00    +0.048 C 
ATOM      7  C   LIG    1       -4.540  -0.419   0.914  0.00  0.00    +0.185 C 
ATOM      8  O   LIG    1       -5.501  -0.806   1.570  0.00  0.00    -0.287 OA
ATOM      9  C   LIG    1       -4.724   0.404  -0.309  0.00  0.00    -0.001 C 
ATOM     10  C   LIG    1       -6.134   0.727  -0.693  0.00  0.00    +0.048 C 
ATOM     11  C   LIG    1       -3.662   0.820  -1.011  0.00  0.00    +0.038 C 
ENDBRANCH   1   2
BRANCH   1  12
ATOM     12  C   LIG    1        0.916   1.068  -1.782  0.00  0.00    +0.366 C 
ATOM     13  O   LIG    1        0.746   1.698  -2.816  0.00  0.00    -0.243 OA
BRANCH  12  17
ATOM     14  C   LIG    1        4.874   0.020  -0.447  0.00  0.00    +0.120 A 
ATOM     15  C   LIG    1        4.663   0.641  -1.680  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        3.372   0.975  -2.099  0.00  0.00    +0.018 A 
ATOM     17  C   LIG    1        2.269   0.689  -1.286  0.00  0.00    +0.061 A 
ATOM     18  C   LIG    1        2.482   0.068  -0.046  0.00  0.00    +0.018 A 
ATOM     19  C   LIG    1        3.779  -0.264   0.369  0.00  0.00    +0.046 A 
BRANCH  14  21
ATOM     20  C   LIG    1        6.457  -0.878   1.085  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        6.183  -0.251  -0.162  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
ENDBRANCH  12  17
ENDBRANCH   1  12
TORSDOF 4