REMARK  Name = BDB050292
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.589  -0.056   1.347  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -1.373   0.086   0.661  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -0.185  -0.414   1.210  0.00  0.00    -0.001 A 
ATOM      4  C   LIG    1       -0.211  -1.040   2.462  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -1.417  -1.185   3.148  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.600  -0.699   2.592  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.120  -0.271   0.500  0.00  0.00    +0.084 C 
ATOM      8  N   LIG    1        2.206  -0.152   1.208  0.00  0.00    -0.089 NA
ATOM      9  C   LIG    1        1.115  -0.262  -1.016  0.00  0.00    +0.069 C 
BRANCH   8  10
ATOM     10  O   LIG    1        3.335   0.003   0.388  0.00  0.00    -0.389 OA
BRANCH  10  11
ATOM     11  C   LIG    1        4.490   0.132   1.217  0.00  0.00    +0.298 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.699   0.291   0.331  0.00  0.00    -0.008 A 
ATOM     13  C   LIG    1        6.340  -0.836  -0.202  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        7.450  -0.692  -1.038  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        7.917   0.583  -1.351  0.00  0.00    +0.018 A 
ATOM     16 BR   LIG    1        9.417   0.780  -2.485  0.00  0.00    -0.050 Br
ATOM     17  C   LIG    1        7.283   1.714  -0.840  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        6.174   1.568  -0.004  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       -3.873   0.468   0.748  0.00  0.00    +0.078 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.444  -0.434  -0.354  0.00  0.00    +0.230 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.934  -1.761   0.216  0.00  0.00    +0.334 C 
ATOM     22  O   LIG    1       -4.563  -2.870  -0.139  0.00  0.00    -0.248 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -5.876  -1.641   1.175  0.00  0.00    -0.479 OA
ATOM     24  H   LIG    1       -6.127  -2.567   1.374  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
BRANCH  20  25
ATOM     25  O   LIG    1       -5.546   0.224  -0.994  0.00  0.00    -0.365 OA
BRANCH  25  27
ATOM     26  C   LIG    1       -6.381   1.652  -2.712  0.00  0.00    +0.034 C 
ATOM     27  C   LIG    1       -5.158   0.947  -2.159  0.00  0.00    +0.157 C 
ENDBRANCH  25  27
ENDBRANCH  20  25
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 10