REMARK  Name = BDB046909
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.800   0.907   0.865  0.00  0.00    -0.008 A 
ATOM      2  C   LIG    1        1.684  -0.145   0.954  0.00  0.00    +0.120 A 
ATOM      3  N   LIG    1        2.931   0.303   0.541  0.00  0.00    -0.220 N 
ATOM      4  N   LIG    1        2.864   1.613   0.184  0.00  0.00    -0.173 NA
ATOM      5  C   LIG    1        1.596   1.965   0.388  0.00  0.00    +0.138 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        4.118  -0.506   0.493  0.00  0.00    +0.180 A 
ATOM      7  C   LIG    1        5.354   0.006   0.070  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        6.421  -0.905   0.079  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1        7.749  -0.429  -0.354  0.00  0.00    +0.259 A 
ATOM     10  N   LIG    1        7.819   0.883  -0.731  0.00  0.00    -0.313 N 
ATOM     11  H   LIG    1        8.723   1.221  -1.029  0.00  0.00    +0.170 HD
ATOM     12  C   LIG    1        6.737   1.707  -0.713  0.00  0.00    +0.200 A 
ATOM     13  O   LIG    1        8.728  -1.166  -0.376  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        6.272  -2.232   0.480  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1        5.020  -2.635   0.876  0.00  0.00    +0.114 A 
ATOM     16  N   LIG    1        5.562   1.338  -0.345  0.00  0.00    -0.233 NA
ATOM     17  N   LIG    1        3.953  -1.813   0.892  0.00  0.00    -0.234 NA
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -0.654   0.926   1.194  0.00  0.00    +0.053 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.528   0.623  -0.037  0.00  0.00    +0.089 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -3.535   1.817   0.645  0.00  0.00    +0.105 C 
ATOM     21  N   LIG    1       -2.971   0.516   0.267  0.00  0.00    -0.301 NA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.681  -0.039  -0.903  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.097  -0.481  -0.588  0.00  0.00    -0.032 A 
ATOM     24  C   LIG    1       -5.338  -1.411   0.437  0.00  0.00    +0.026 A 
ATOM     25  C   LIG    1       -6.639  -1.833   0.729  0.00  0.00    +0.060 A 
ATOM     26 CL   LIG    1       -6.849  -2.974   2.009  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1       -7.714  -1.330  -0.011  0.00  0.00    +0.059 A 
ATOM     28 CL   LIG    1       -9.349  -1.803   0.288  0.00  0.00    -0.082 Cl
ATOM     29  C   LIG    1       -7.482  -0.409  -1.037  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1       -6.181   0.011  -1.326  0.00  0.00    +0.006 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6