REMARK  Name = BDB050259
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.708   1.874  -0.459  0.00  0.00    -0.491 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        4.238   0.232   1.055  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1        4.220   1.427   0.326  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        3.014   1.936  -0.159  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        1.810   1.269   0.077  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        1.822   0.083   0.809  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        3.028  -0.431   1.297  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1        5.543  -0.346   1.546  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1        6.397  -0.969   0.428  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1        5.816  -2.349   0.064  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1        6.263  -3.422   0.443  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1        4.740  -2.290  -0.762  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1        4.435  -1.385  -0.975  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1        7.733  -1.039   0.938  0.00  0.00    -0.365 OA
BRANCH  14  16
ATOM     15  C   LIG    1        8.896  -2.116  -0.941  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1        8.761  -0.902  -0.040  0.00  0.00    +0.157 C 
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1       -0.563   1.268  -0.197  0.00  0.00    +0.244 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.648   2.138  -0.857  0.00  0.00    +0.125 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.046   1.707  -0.728  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -3.498   1.600   0.664  0.00  0.00    +0.089 C 
ATOM     21  C   LIG    1       -5.027   1.430   0.726  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1       -5.521   0.408  -0.264  0.00  0.00    -0.040 C 
ATOM     23  C   LIG    1       -4.736  -0.027  -1.266  0.00  0.00    -0.007 C 
ATOM     24  C   LIG    1       -3.337   0.481  -1.482  0.00  0.00    +0.112 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -6.882  -0.119  -0.089  0.00  0.00    -0.004 A 
ATOM     26  C   LIG    1       -7.189  -1.170   0.794  0.00  0.00    +0.050 A 
ATOM     27 CL   LIG    1       -5.973  -1.940   1.755  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1       -8.502  -1.634   0.915  0.00  0.00    +0.040 A 
ATOM     29  C   LIG    1       -9.512  -1.052   0.153  0.00  0.00    +0.042 A 
ATOM     30 CL   LIG    1      -11.129  -1.622   0.301  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1       -9.225  -0.014  -0.730  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1       -7.913   0.450  -0.852  0.00  0.00    +0.011 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11