REMARK  Name = BDB050263
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.730   1.565  -2.528  0.00  0.00    -0.491 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        4.114   1.565  -0.077  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1        4.039   2.317  -1.254  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        2.884   2.282  -2.038  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        1.789   1.497  -1.667  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        1.861   0.744  -0.497  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        3.016   0.777   0.292  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1        5.370   1.577   0.767  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1        6.305   0.403   0.430  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1        7.692   0.669   1.021  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1        8.109   1.719   1.486  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1        8.516  -0.399   0.950  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1        9.341  -0.090   1.378  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1        5.740  -0.794   0.982  0.00  0.00    -0.365 OA
BRANCH  14  16
ATOM     15  C   LIG    1        5.228  -3.114   0.776  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1        5.827  -1.902   0.089  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       -0.439   0.788  -2.244  0.00  0.00    +0.244 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.376   1.543  -1.285  0.00  0.00    +0.125 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.651   0.848  -1.033  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -2.484  -0.321  -0.156  0.00  0.00    +0.089 C 
ATOM     21  C   LIG    1       -3.802  -1.107  -0.019  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1       -4.992  -0.209   0.216  0.00  0.00    -0.042 C 
ATOM     23  C   LIG    1       -4.883   1.120   0.037  0.00  0.00    -0.008 C 
ATOM     24  C   LIG    1       -3.622   1.784  -0.440  0.00  0.00    +0.112 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -6.260  -0.811   0.664  0.00  0.00    -0.019 A 
ATOM     26  C   LIG    1       -7.448  -0.563  -0.038  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1       -8.649  -1.138   0.380  0.00  0.00    +0.043 A 
ATOM     28 CL   LIG    1      -10.096  -0.823  -0.497  0.00  0.00    -0.083 Cl
ATOM     29  C   LIG    1       -8.689  -1.966   1.498  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1       -7.512  -2.214   2.197  0.00  0.00    +0.043 A 
ATOM     31 CL   LIG    1       -7.545  -3.233   3.585  0.00  0.00    -0.083 Cl
ATOM     32  C   LIG    1       -6.304  -1.645   1.788  0.00  0.00    +0.028 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11