REMARK  Name = BDB002588
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.666   0.591  -1.321  0.00  0.00    +0.258 C 
ATOM      2  N   LIG    1        0.318  -0.283  -0.914  0.00  0.00    -0.301 N 
ATOM      3  H   LIG    1        0.164  -0.873  -0.112  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1       -0.445   1.504  -2.114  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -4.556   0.744   1.958  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -3.716   0.439   0.739  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1       -2.220   0.827   0.771  0.00  0.00    +0.029 C 
ATOM      8  C   LIG    1       -1.396   0.070   1.826  0.00  0.00    +0.016 C 
ATOM      9  C   LIG    1       -1.963   2.334   0.987  0.00  0.00    +0.016 C 
ATOM     10  C   LIG    1       -2.056   0.371  -0.696  0.00  0.00    +0.194 C 
ATOM     11  O   LIG    1       -3.081   1.131  -1.376  0.00  0.00    -0.448 OA
ATOM     12  C   LIG    1       -2.563  -1.092  -0.713  0.00  0.00    +0.059 C 
ATOM     13  C   LIG    1       -4.154   1.175  -0.516  0.00  0.00    +0.315 C 
ATOM     14  O   LIG    1       -5.235   1.677  -0.754  0.00  0.00    -0.250 OA
ATOM     15  C   LIG    1       -3.724  -1.044   0.303  0.00  0.00    +0.023 C 
ENDBRANCH   1  10
BRANCH   2  16
ATOM     16  C   LIG    1        1.717  -0.057  -1.257  0.00  0.00    +0.134 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.451  -1.356  -1.602  0.00  0.00    -0.023 A 
ATOM     18  C   LIG    1        3.849  -1.343  -1.771  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1        4.547  -2.504  -2.110  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        3.859  -3.698  -2.307  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        2.473  -3.728  -2.174  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        1.774  -2.566  -1.833  0.00  0.00    +0.006 A 
ENDBRANCH  16  17
BRANCH  16  23
ATOM     23  C   LIG    1        2.337   0.736  -0.106  0.00  0.00    -0.023 A 
ATOM     24  C   LIG    1        2.430   2.134  -0.201  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        2.948   2.887   0.854  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.373   2.254   2.020  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.275   0.870   2.136  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        2.754   0.114   1.084  0.00  0.00    +0.006 A 
ENDBRANCH  16  23
ENDBRANCH   2  16
TORSDOF 4