REMARK  Name = BDB023044
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.009   0.485  -2.355  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -1.283  -0.066  -3.009  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -2.355   0.408  -2.042  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -1.829   1.786  -1.656  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.380   1.721  -1.686  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        3.896  -1.687   1.811  0.00  0.00    -0.064 NA
ATOM      7  C   LIG    1        3.386  -0.835   0.976  0.00  0.00    +0.203 A 
ATOM      8  C   LIG    1        2.192  -1.028   0.147  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1        1.230  -2.054  -0.026  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        0.304  -1.620  -0.960  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1        0.660  -0.357  -1.372  0.00  0.00    -0.305 N 
ATOM     12  C   LIG    1        1.801  -0.015  -0.698  0.00  0.00    +0.125 A 
ATOM     13  N   LIG    1        2.478   1.143  -0.780  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1        2.149   1.950  -1.301  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1        3.570   1.274   0.043  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1        4.035   0.391   0.868  0.00  0.00    -0.215 NA
BRANCH   6  18
ATOM     17  C   LIG    1        3.851  -3.728   2.838  0.00  0.00    +0.313 C 
ATOM     18  O   LIG    1        3.198  -2.897   1.887  0.00  0.00    -0.395 OA
ENDBRANCH   6  18
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  O   LIG    1       -1.536   0.558  -4.287  0.00  0.00    -0.385 OA
ATOM     20  H   LIG    1       -0.902   0.185  -4.928  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1       -3.637   0.467  -2.651  0.00  0.00    -0.386 OA
ATOM     22  H   LIG    1       -3.479   0.708  -3.588  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   4  23
ATOM     23  C   LIG    1       -2.338   2.329  -0.303  0.00  0.00    +0.176 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.090   1.431   0.894  0.00  0.00    -0.015 A 
ATOM     25  C   LIG    1       -3.146   0.666   1.422  0.00  0.00    +0.029 A 
ATOM     26  C   LIG    1       -2.929  -0.197   2.500  0.00  0.00    +0.076 A 
ATOM     27 CL   LIG    1       -4.240  -1.132   3.110  0.00  0.00    -0.081 Cl
ATOM     28  C   LIG    1       -1.660  -0.301   3.061  0.00  0.00    +0.142 A 
ATOM     29  F   LIG    1       -1.432  -1.129   4.092  0.00  0.00    -0.204 F 
ATOM     30  C   LIG    1       -0.605   0.452   2.561  0.00  0.00    +0.040 A 
ATOM     31  C   LIG    1       -0.820   1.317   1.484  0.00  0.00    +0.009 A 
ENDBRANCH  23  24
BRANCH  23  32
ATOM     32  O   LIG    1       -1.736   3.604  -0.044  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1       -0.842   3.567  -0.431  0.00  0.00    +0.210 HD
ENDBRANCH  23  32
ENDBRANCH   4  23
TORSDOF 7