REMARK  Name = BDB056952
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.297   0.516   1.354  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1        0.750   0.343   0.429  0.00  0.00    -0.163 N 
ATOM      3  C   LIG    1        0.737   0.288  -0.962  0.00  0.00    +0.219 A 
ATOM      4  N   LIG    1        1.940   0.016  -1.400  0.00  0.00    -0.193 NA
ATOM      5  C   LIG    1        2.712  -0.025  -0.266  0.00  0.00    +0.185 A 
ATOM      6  N   LIG    1        2.034   0.202   0.865  0.00  0.00    -0.141 NA
ATOM      7  O   LIG    1       -0.013   0.776   2.524  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -4.474   0.269   0.454  0.00  0.00    +0.120 A 
ATOM      9  C   LIG    1       -3.616  -0.754   0.047  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -2.248  -0.684   0.338  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1       -1.736   0.421   1.024  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1       -2.594   1.434   1.457  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -3.957   1.358   1.162  0.00  0.00    +0.046 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -6.413  -0.785  -0.435  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -5.822   0.324   0.231  0.00  0.00    -0.495 OA
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   5  16
ATOM     16  C   LIG    1        4.142  -0.282  -0.312  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1        4.787  -0.519  -1.522  0.00  0.00    +0.122 A 
ATOM     18  N   LIG    1        6.116  -0.766  -1.648  0.00  0.00    -0.263 NA
ATOM     19  C   LIG    1        6.839  -0.777  -0.508  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1        6.298  -0.554   0.747  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        4.930  -0.303   0.843  0.00  0.00    +0.014 A 
ENDBRANCH   5  16
BRANCH   3  22
ATOM     22  N   LIG    1       -0.330   0.508  -1.762  0.00  0.00    -0.327 N 
ATOM     23  H   LIG    1       -1.036   1.189  -1.495  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -0.092   0.604  -2.749  0.00  0.00    +0.145 HD
ENDBRANCH   3  22
TORSDOF 4