REMARK  Name = BDB004566
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.535   0.266   0.245  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1       -1.155   0.083   0.184  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -0.578  -1.162  -0.175  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1       -1.399  -2.267  -0.456  0.00  0.00    +0.088 A 
ATOM      5  N   LIG    1       -0.847  -3.464  -0.761  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1        0.487  -3.559  -0.774  0.00  0.00    +0.223 A 
ATOM      7  N   LIG    1        1.345  -2.570  -0.536  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1       -2.793  -2.069  -0.395  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1        0.815  -1.371  -0.254  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1       -3.350  -0.817  -0.051  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -4.423   3.406   1.151  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -4.314   1.973   0.693  0.00  0.00    +0.214 C 
ATOM     13  N   LIG    1       -3.000   1.544   0.616  0.00  0.00    -0.286 N 
ATOM     14  H   LIG    1       -2.291   2.232   0.837  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1       -5.315   1.328   0.406  0.00  0.00    -0.276 OA
ENDBRANCH   1  13
BRANCH   8  16
ATOM     16  C   LIG    1       -3.778  -3.162  -0.678  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1       -4.978  -3.022  -0.472  0.00  0.00    -0.270 OA
ATOM     18  N   LIG    1       -3.314  -4.341  -1.182  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1       -2.316  -4.525  -1.226  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1       -3.966  -5.107  -1.277  0.00  0.00    +0.145 HD
ENDBRANCH   8  16
BRANCH   9  21
ATOM     21  N   LIG    1        1.689  -0.291  -0.011  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1        1.462   0.472  -0.643  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.110  -0.611  -0.092  0.00  0.00    +0.138 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.901   0.657   0.135  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        3.997   1.209   1.422  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        4.712   2.388   1.636  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.334   3.030   0.567  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.240   2.495  -0.717  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.525   1.316  -0.934  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   9  21
TORSDOF 5