REMARK  Name = BDB008475
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.873  -1.343  -0.709  0.00  0.00    +0.011 C 
ATOM      2  C   LIG    1        2.606  -0.637  -0.191  0.00  0.00    -0.024 C 
ATOM      3  C   LIG    1        1.362  -1.283  -0.868  0.00  0.00    +0.060 C 
ATOM      4  C   LIG    1        0.161  -0.412  -0.689  0.00  0.00    +0.029 A 
ATOM      5  N   LIG    1       -1.151  -0.801  -0.783  0.00  0.00    -0.341 N 
ATOM      6  C   LIG    1       -1.971   0.286  -0.532  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1       -1.135   1.383  -0.282  0.00  0.00    +0.021 A 
ATOM      8  C   LIG    1       -1.687   2.628   0.019  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -3.090   2.748   0.055  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -3.914   1.654  -0.200  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -0.846   3.800   0.308  0.00  0.00    +0.272 A 
ATOM     12  O   LIG    1       -1.413   4.865   0.578  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1        0.533   3.801   0.306  0.00  0.00    -0.242 N 
ATOM     14  H   LIG    1        0.893   4.725   0.531  0.00  0.00    +0.192 HD
ATOM     15  N   LIG    1        1.527   2.911   0.052  0.00  0.00    -0.175 NA
ATOM     16  C   LIG    1        1.416   1.659  -0.253  0.00  0.00    +0.071 A 
ATOM     17  C   LIG    1       -3.370   0.403  -0.496  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1        0.185   0.937  -0.402  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        2.702   0.876  -0.532  0.00  0.00    +0.064 C 
ATOM     20  C   LIG    1        2.547  -0.829   1.339  0.00  0.00    +0.011 C 
ENDROOT
BRANCH   5  21
ATOM     21  C   LIG    1       -1.618  -2.139  -1.096  0.00  0.00    +0.150 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.875  -2.970   0.154  0.00  0.00    +0.177 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -2.319  -4.277  -0.202  0.00  0.00    -0.393 OA
ATOM     24  H   LIG    1       -3.244  -4.207  -0.499  0.00  0.00    +0.209 HD
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 3