REMARK  Name = BDB028559
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.683   1.073   0.948  0.00  0.00    +0.266 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.606   0.455   1.144  0.00  0.00    -0.448 OA
BRANCH   2   4
ATOM      3  O   LIG    1        1.333   1.447  -0.780  0.00  0.00    -0.226 OA
ATOM      4  C   LIG    1        1.539   0.737   0.196  0.00  0.00    +0.403 C 
ATOM      5  N   LIG    1        2.732   0.120   0.456  0.00  0.00    -0.267 N 
ATOM      6  C   LIG    1        3.874   0.237  -0.432  0.00  0.00    +0.119 C 
ATOM      7  C   LIG    1        4.855  -0.830   0.072  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        4.534  -0.895   1.573  0.00  0.00    +0.029 C 
ATOM      9  C   LIG    1        3.022  -0.719   1.605  0.00  0.00    +0.112 C 
BRANCH   7  10
ATOM     10  C   LIG    1        6.305  -0.569  -0.252  0.00  0.00    -0.043 A 
ATOM     11  C   LIG    1        7.026  -1.503  -1.010  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        8.369  -1.285  -1.325  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        9.010  -0.130  -0.886  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        8.308   0.808  -0.133  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        6.965   0.590   0.183  0.00  0.00    +0.004 A 
ENDBRANCH   7  10
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1       -1.536   0.213   0.002  0.00  0.00    +0.166 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -1.698  -1.077   0.618  0.00  0.00    -0.387 OA
ATOM     18  H   LIG    1       -0.797  -1.392   0.817  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -2.912   0.877  -0.234  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.655   0.371  -1.409  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -4.888   1.152  -1.638  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -6.041   0.817  -0.714  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -6.105  -0.428  -0.061  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -7.199  -0.728   0.761  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -8.236   0.192   0.916  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -8.185   1.417   0.256  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.969  -1.415  -0.193  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -7.096   1.728  -0.558  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -4.008  -1.057  -1.337  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 7