REMARK  Name = BDB046123
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.180   0.078  -0.472  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        0.205  -0.940  -1.378  0.00  0.00    +0.083 A 
ATOM      3  C   LIG    1        1.565  -1.151  -1.667  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1        2.543  -0.372  -1.054  0.00  0.00    +0.131 A 
ATOM      5  C   LIG    1        2.173   0.649  -0.181  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        0.822   0.864   0.112  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -1.563   2.098   1.272  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.130   1.206   0.654  0.00  0.00    +0.250 C 
ATOM      9  N   LIG    1       -1.554   0.272  -0.181  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1       -2.191  -0.371  -0.659  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1       -3.612   1.146   0.737  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -4.329  -0.027   1.010  0.00  0.00    +0.054 A 
ATOM     13 CL   LIG    1       -3.563  -1.541   1.338  0.00  0.00    -0.083 Cl
ATOM     14  C   LIG    1       -5.726   0.006   1.065  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1       -6.402   1.209   0.861  0.00  0.00    +0.042 A 
ATOM     16 CL   LIG    1       -8.121   1.244   0.932  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1       -5.698   2.384   0.610  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1       -4.303   2.354   0.553  0.00  0.00    +0.016 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  C   LIG    1       -0.823  -1.788  -2.041  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1       -2.030  -1.651  -1.937  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -0.300  -2.773  -2.793  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -1.077  -3.246  -3.158  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH   2  19
BRANCH   4  23
ATOM     23  O   LIG    1        3.849  -0.620  -1.406  0.00  0.00    -0.437 OA
BRANCH  23  24
ATOM     24  C   LIG    1        4.766  -0.630  -0.379  0.00  0.00    +0.240 A 
ATOM     25  N   LIG    1        5.782   0.256  -0.485  0.00  0.00    -0.198 NA
ATOM     26  C   LIG    1        6.691   0.193   0.510  0.00  0.00    +0.151 A 
ATOM     27 CL   LIG    1        7.975   1.320   0.399  0.00  0.00    -0.060 Cl
ATOM     28  C   LIG    1        6.608  -0.714   1.558  0.00  0.00    +0.151 A 
ATOM     29  N   LIG    1        5.600  -1.615   1.658  0.00  0.00    -0.255 NA
ATOM     30  C   LIG    1        4.684  -1.556   0.659  0.00  0.00    +0.178 A 
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 6