REMARK  Name = BDB002685
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.208   0.087  -0.286  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1        2.478  -1.109  -0.257  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1        1.101  -1.105  -0.025  0.00  0.00    +0.133 A 
ATOM      4  C   LIG    1        0.463   0.126   0.198  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        1.183   1.327   0.164  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1        2.558   1.303  -0.078  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.000   0.175   0.448  0.00  0.00    +0.072 C 
ATOM      8  C   LIG    1       -1.836   0.781  -0.575  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -3.154   1.082  -0.321  0.00  0.00    -0.344 N 
ATOM     10  C   LIG    1       -3.749   1.635  -1.408  0.00  0.00    +0.086 A 
ATOM     11  C   LIG    1       -2.799   1.698  -2.404  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -3.734   0.827   0.983  0.00  0.00    +0.143 C 
ATOM     13  C   LIG    1       -3.060  -0.378   1.633  0.00  0.00    +0.137 C 
ATOM     14  C   LIG    1       -1.592   1.162  -1.882  0.00  0.00    +0.029 A 
ATOM     15  N   LIG    1       -1.547  -0.294   1.535  0.00  0.00    -0.370 N 
ATOM     16  C   LIG    1       -0.794  -0.850   2.695  0.00  0.00    +0.143 C 
ENDBRANCH   4   7
BRANCH   1  18
ATOM     17  C   LIG    1        5.339   1.100  -0.629  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        4.544  -0.076  -0.524  0.00  0.00    -0.495 OA
ENDBRANCH   1  18
BRANCH   3  19
ATOM     19  O   LIG    1        0.308  -2.221   0.026  0.00  0.00    -0.494 OA
ATOM     20  C   LIG    1        0.883  -3.437  -0.454  0.00  0.00    +0.277 C 
ENDBRANCH   3  19
TORSDOF 3