REMARK  Name = BDB005552
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.256   0.203  -0.174  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -0.977  -0.455  -0.076  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1       -2.187   0.254  -0.057  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -2.131   1.650  -0.168  0.00  0.00    +0.051 A 
ATOM      5  N   LIG    1       -3.315   2.392  -0.203  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -3.290   3.397  -0.306  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -4.561   1.833  -0.148  0.00  0.00    +0.254 A 
ATOM      8  C   LIG    1       -4.629   0.356   0.010  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1       -5.994  -0.254   0.186  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -5.925  -1.618   0.881  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -4.846  -2.493   0.256  0.00  0.00    +0.102 C 
ATOM     12  N   LIG    1       -3.579  -1.777   0.213  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -2.843  -2.166   0.796  0.00  0.00    +0.146 HD
ATOM     14  O   LIG    1       -5.571   2.527  -0.215  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -0.910   2.318  -0.262  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1       -3.513  -0.398   0.054  0.00  0.00    +0.045 A 
ATOM     17  C   LIG    1        0.284   1.593  -0.258  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  18
ATOM     18  O   LIG    1        1.339  -0.631  -0.168  0.00  0.00    -0.489 OA
BRANCH  18  23
ATOM     19  C   LIG    1        6.804   0.504  -0.325  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1        5.357   0.329  -0.427  0.00  0.00    -0.305 NA
ATOM     21  C   LIG    1        4.675   0.911   0.739  0.00  0.00    +0.087 C 
ATOM     22  C   LIG    1        3.259   0.366   0.948  0.00  0.00    +0.060 C 
ATOM     23  C   LIG    1        2.647  -0.087  -0.376  0.00  0.00    +0.176 C 
ATOM     24  C   LIG    1        3.514  -1.200  -0.987  0.00  0.00    +0.060 C 
ATOM     25  C   LIG    1        4.996  -1.075  -0.619  0.00  0.00    +0.087 C 
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 2