REMARK  Name = BDB050277
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.061   1.201   0.742  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -0.958   0.382   1.035  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        0.310   0.689   0.527  0.00  0.00    -0.001 A 
ATOM      4  C   LIG    1        0.479   1.835  -0.259  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -0.612   2.653  -0.553  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.877   2.335  -0.059  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.497  -0.167   0.825  0.00  0.00    +0.084 C 
ATOM      8  N   LIG    1        2.675   0.388   0.846  0.00  0.00    -0.089 NA
ATOM      9  C   LIG    1        1.274  -1.643   1.093  0.00  0.00    +0.069 C 
BRANCH   8  10
ATOM     10  O   LIG    1        3.680  -0.541   1.163  0.00  0.00    -0.389 OA
BRANCH  10  11
ATOM     11  C   LIG    1        4.952   0.120   1.187  0.00  0.00    +0.299 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.693   0.059  -0.134  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        6.979   0.611  -0.259  0.00  0.00    +0.047 A 
ATOM     14 CL   LIG    1        7.771   1.380   1.072  0.00  0.00    -0.083 Cl
ATOM     15  C   LIG    1        7.670   0.555  -1.475  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        7.087  -0.054  -2.585  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        5.814  -0.605  -2.480  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.124  -0.550  -1.266  0.00  0.00    +0.008 A 
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  C   LIG    1       -3.433   0.853   1.270  0.00  0.00    +0.078 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.329   0.152   0.236  0.00  0.00    +0.230 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.800  -1.260  -0.034  0.00  0.00    +0.334 C 
ATOM     22  O   LIG    1       -3.277  -2.027   0.760  0.00  0.00    -0.248 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -3.987  -1.646  -1.317  0.00  0.00    -0.479 OA
ATOM     24  H   LIG    1       -3.624  -2.557  -1.342  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
BRANCH  20  25
ATOM     25  O   LIG    1       -5.662   0.157   0.755  0.00  0.00    -0.365 OA
BRANCH  25  27
ATOM     26  C   LIG    1       -8.014  -0.028   0.411  0.00  0.00    +0.034 C 
ATOM     27  C   LIG    1       -6.644  -0.199  -0.216  0.00  0.00    +0.157 C 
ENDBRANCH  25  27
ENDBRANCH  20  25
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 10