REMARK  Name = BDB023058
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.005  -2.022   0.847  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.873  -1.871   2.092  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -2.252  -2.116   1.501  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -2.161  -1.483   0.107  0.00  0.00    +0.188 C 
ATOM      5  O   LIG    1       -0.751  -1.431  -0.237  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        4.865   1.535   0.527  0.00  0.00    -0.064 NA
ATOM      7  C   LIG    1        3.726   1.152   0.041  0.00  0.00    +0.203 A 
ATOM      8  C   LIG    1        3.025   0.058   0.698  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1        3.328  -0.806   1.775  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        2.268  -1.689   1.902  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1        1.298  -1.352   0.974  0.00  0.00    -0.305 N 
ATOM     12  C   LIG    1        1.796  -0.327   0.226  0.00  0.00    +0.125 A 
ATOM     13  N   LIG    1        1.241   0.264  -0.844  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1        0.388  -0.094  -1.271  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1        1.971   1.256  -1.453  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1        3.124   1.718  -1.079  0.00  0.00    -0.215 NA
BRANCH   6  18
ATOM     17  C   LIG    1        6.653   2.960   0.350  0.00  0.00    +0.313 C 
ATOM     18  O   LIG    1        5.405   2.597  -0.222  0.00  0.00    -0.395 OA
ENDBRANCH   6  18
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  O   LIG    1       -0.619  -2.816   3.134  0.00  0.00    -0.385 OA
ATOM     20  H   LIG    1        0.129  -2.476   3.660  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1       -2.432  -3.539   1.374  0.00  0.00    -0.386 OA
ATOM     22  H   LIG    1       -2.139  -3.913   2.232  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   4  23
ATOM     23  C   LIG    1       -2.820  -0.069  -0.020  0.00  0.00    +0.117 C 
ATOM     24  C   LIG    1       -2.230   0.950   0.969  0.00  0.00    +0.049 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -2.773   0.408  -1.481  0.00  0.00    -0.014 A 
ATOM     26  C   LIG    1       -3.551  -0.258  -2.451  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -3.533   0.135  -3.792  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -2.736   1.202  -4.188  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       -2.710   1.690  -5.836  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1       -1.959   1.879  -3.252  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -1.978   1.486  -1.909  0.00  0.00    +0.008 A 
ENDBRANCH  23  25
BRANCH  23  32
ATOM     32  O   LIG    1       -4.205  -0.184   0.353  0.00  0.00    -0.382 OA
ATOM     33  H   LIG    1       -4.688   0.542  -0.082  0.00  0.00    +0.211 HD
ENDBRANCH  23  32
ENDBRANCH   4  23
TORSDOF 7