REMARK  Name = BDB018159
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.223  -0.812   0.402  0.00  0.00    +0.188 C 
ATOM      2  C   LIG    1        0.917  -1.761  -0.768  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1        0.933  -1.091  -2.144  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1       -0.493  -2.226  -0.400  0.00  0.00    +0.198 C 
ATOM      5  C   LIG    1       -1.085  -1.004   0.331  0.00  0.00    +0.252 C 
ATOM      6  O   LIG    1       -0.002  -0.075   0.579  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1       -2.152  -0.347  -0.411  0.00  0.00    -0.303 N 
ATOM      8  C   LIG    1       -3.357  -0.956  -0.673  0.00  0.00    +0.146 A 
ATOM      9  C   LIG    1       -4.146  -0.059  -1.380  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -5.426  -0.499  -1.750  0.00  0.00    +0.051 A 
ATOM     11  N   LIG    1       -5.806  -1.753  -1.381  0.00  0.00    -0.240 NA
ATOM     12  C   LIG    1       -4.936  -2.519  -0.696  0.00  0.00    +0.223 A 
ATOM     13  C   LIG    1       -6.424   0.338  -2.487  0.00  0.00    +0.066 C 
ATOM     14  C   LIG    1       -3.382   1.129  -1.533  0.00  0.00    +0.031 A 
ATOM     15  N   LIG    1       -3.688  -2.207  -0.303  0.00  0.00    -0.218 NA
ATOM     16  C   LIG    1       -2.161   0.926  -0.924  0.00  0.00    +0.091 A 
ENDBRANCH   5   7
BRANCH   2  17
ATOM     17  O   LIG    1        1.848  -2.846  -0.800  0.00  0.00    -0.383 OA
ATOM     18  H   LIG    1        1.455  -3.541  -0.226  0.00  0.00    +0.210 HD
ENDBRANCH   2  17
BRANCH   4  19
ATOM     19  O   LIG    1       -0.377  -3.357   0.491  0.00  0.00    -0.384 OA
ATOM     20  H   LIG    1       -1.291  -3.658   0.667  0.00  0.00    +0.210 HD
ENDBRANCH   4  19
BRANCH   1  21
ATOM     21  C   LIG    1        2.460   0.095   0.192  0.00  0.00    +0.176 C 
BRANCH  21  28
ATOM     22  C   LIG    1        5.695   3.482   2.019  0.00  0.00    +0.045 C 
ATOM     23  C   LIG    1        4.446   2.672   2.224  0.00  0.00    -0.032 A 
ATOM     24  C   LIG    1        3.691   2.757   3.399  0.00  0.00    +0.044 A 
ATOM     25 CL   LIG    1        4.142   3.808   4.693  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1        2.539   1.986   3.554  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        2.125   1.117   2.539  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        2.857   1.003   1.351  0.00  0.00    -0.016 A 
ATOM     29  C   LIG    1        4.015   1.796   1.213  0.00  0.00    +0.011 A 
ENDBRANCH  21  28
BRANCH  21  30
ATOM     30  O   LIG    1        3.617  -0.698  -0.114  0.00  0.00    -0.384 OA
ATOM     31  H   LIG    1        3.328  -1.540  -0.519  0.00  0.00    +0.210 HD
ENDBRANCH  21  30
ENDBRANCH   1  21
TORSDOF 6