REMARK  Name = BDB002531
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.448   0.022  -2.297  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1        0.040  -0.748  -1.468  0.00  0.00    +0.233 C 
ATOM      3  N   LIG    1        1.324  -1.173  -1.670  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        1.771  -0.706  -2.450  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.170  -1.959  -0.799  0.00  0.00    +0.139 C 
BRANCH   5   6
ATOM      6  C   LIG    1        3.215  -1.099  -0.134  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1        4.569  -1.238  -0.484  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        5.492  -0.430   0.146  0.00  0.00    +0.167 A 
ATOM      9  O   LIG    1        6.834  -0.438  -0.076  0.00  0.00    -0.453 OA
ATOM     10  C   LIG    1        7.266   0.593   0.837  0.00  0.00    +0.466 C 
ATOM     11  O   LIG    1        6.185   1.185   1.586  0.00  0.00    -0.453 OA
ATOM     12  C   LIG    1        5.123   0.495   1.093  0.00  0.00    +0.166 A 
ATOM     13  C   LIG    1        3.808   0.664   1.462  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1        2.847  -0.141   0.842  0.00  0.00    +0.009 A 
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  15
ATOM     15  C   LIG    1       -0.751  -1.318  -0.286  0.00  0.00    +0.221 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -1.843  -0.461   0.100  0.00  0.00    -0.299 N 
ATOM     17  C   LIG    1       -3.106  -0.407  -0.505  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1       -3.824   0.591   0.098  0.00  0.00    +0.018 A 
ATOM     19  C   LIG    1       -5.129   0.946  -0.223  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1       -5.722   0.195  -1.259  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1       -4.993  -0.835  -1.899  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -5.673   2.011   0.528  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -4.903   2.650   1.530  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -3.584   2.248   1.804  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1       -3.070   1.205   1.062  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1       -3.671  -1.142  -1.525  0.00  0.00    +0.026 A 
ATOM     27  C   LIG    1       -1.752   0.534   1.068  0.00  0.00    +0.260 A 
ATOM     28  O   LIG    1       -0.811   0.817   1.784  0.00  0.00    -0.267 OA
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 4