REMARK  Name = BDB050258
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.173  -1.359  -0.646  0.00  0.00    -0.491 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -3.430   0.177   1.474  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1       -3.193   0.639   0.173  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -2.114   0.153  -0.574  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -1.258  -0.803  -0.029  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.495  -1.270   1.265  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -2.571  -0.786   2.014  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1       -4.604   0.695   2.276  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -5.921  -0.053   2.029  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -5.803  -1.521   2.441  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1       -5.552  -1.908   3.572  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1       -6.023  -2.364   1.400  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1       -6.170  -1.808   0.597  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1       -6.322  -0.003   0.643  0.00  0.00    -0.365 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -8.561   0.920   0.591  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1       -7.088   1.155   0.308  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        0.146  -0.892  -1.958  0.00  0.00    +0.244 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.410  -1.613  -2.468  0.00  0.00    +0.125 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.725  -1.139  -2.005  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        3.050   0.223  -2.445  0.00  0.00    +0.089 C 
ATOM     21  C   LIG    1        4.540   0.524  -2.201  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1        4.993   0.077  -0.835  0.00  0.00    -0.040 C 
ATOM     23  C   LIG    1        4.234  -0.741  -0.084  0.00  0.00    -0.007 C 
ATOM     24  C   LIG    1        2.907  -1.276  -0.553  0.00  0.00    +0.112 C 
BRANCH  22  25
ATOM     25  C   LIG    1        6.283   0.580  -0.336  0.00  0.00    -0.002 A 
ATOM     26  C   LIG    1        6.436   1.839   0.279  0.00  0.00    +0.067 A 
ATOM     27 CL   LIG    1        5.060   2.881   0.483  0.00  0.00    -0.081 Cl
ATOM     28  C   LIG    1        7.705   2.237   0.730  0.00  0.00    +0.060 A 
ATOM     29 CL   LIG    1        7.985   3.767   1.491  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1        8.809   1.391   0.574  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1        8.657   0.145  -0.028  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        7.401  -0.259  -0.479  0.00  0.00    +0.010 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11