REMARK  Name = BDB008449
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.053   0.115  -1.155  0.00  0.00    +0.011 C 
ATOM      2  C   LIG    1       -2.642   0.381   0.309  0.00  0.00    -0.024 C 
ATOM      3  C   LIG    1       -1.329   1.216   0.361  0.00  0.00    +0.060 C 
ATOM      4  C   LIG    1       -0.149   0.348   0.062  0.00  0.00    +0.029 A 
ATOM      5  N   LIG    1        1.090   0.768  -0.356  0.00  0.00    -0.341 N 
ATOM      6  C   LIG    1        1.918  -0.334  -0.512  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1        1.160  -1.467  -0.188  0.00  0.00    +0.021 A 
ATOM      8  C   LIG    1        1.731  -2.737  -0.270  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        3.076  -2.843  -0.671  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        3.827  -1.711  -0.980  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        0.963  -3.955   0.037  0.00  0.00    +0.272 A 
ATOM     12  O   LIG    1        1.537  -5.043  -0.083  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1       -0.353  -3.975   0.445  0.00  0.00    -0.242 N 
ATOM     14  H   LIG    1       -0.666  -4.930   0.603  0.00  0.00    +0.192 HD
ATOM     15  N   LIG    1       -1.318  -3.064   0.734  0.00  0.00    -0.175 NA
ATOM     16  C   LIG    1       -1.253  -1.776   0.631  0.00  0.00    +0.071 A 
ATOM     17  C   LIG    1        3.261  -0.437  -0.907  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1       -0.113  -1.026   0.188  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1       -2.476  -0.965   1.066  0.00  0.00    +0.064 C 
ATOM     20  C   LIG    1       -3.768   1.192   0.978  0.00  0.00    +0.011 C 
ENDROOT
BRANCH   5  21
ATOM     21  C   LIG    1        1.482   2.152  -0.600  0.00  0.00    +0.156 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.876   2.846   0.663  0.00  0.00    +0.164 C 
ATOM     23  O   LIG    1        0.861   3.673   1.246  0.00  0.00    -0.370 OA
ATOM     24  C   LIG    1        2.006   4.347   0.706  0.00  0.00    +0.193 C 
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 2