REMARK  Name = BDB060511
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.395   0.111  -0.672  0.00  0.00    +0.097 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.656   1.443   0.039  0.00  0.00    -0.034 A 
ATOM      3  C   LIG    1       -0.236   1.668   1.362  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1       -0.481   2.889   1.994  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -1.153   3.898   1.310  0.00  0.00    +0.018 A 
ATOM      6 BR   LIG    1       -1.487   5.551   2.165  0.00  0.00    -0.050 Br
ATOM      7  C   LIG    1       -1.586   3.697   0.002  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -1.340   2.474  -0.629  0.00  0.00    +0.006 A 
ENDBRANCH   1   2
BRANCH   1  12
ATOM      9  C   LIG    1        3.825  -0.889  -0.790  0.00  0.00    +0.117 A 
ATOM     10  C   LIG    1        3.020  -1.476   0.179  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        1.658  -1.163   0.225  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        1.091  -0.269  -0.700  0.00  0.00    -0.034 A 
ATOM     13  C   LIG    1        1.934   0.320  -1.661  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        3.293   0.007  -1.707  0.00  0.00    +0.046 A 
BRANCH   9  15
ATOM     15  O   LIG    1        5.157  -1.167  -0.870  0.00  0.00    -0.507 OA
ATOM     16  H   LIG    1        5.386  -1.785  -0.158  0.00  0.00    +0.292 HD
ENDBRANCH   9  15
ENDBRANCH   1  12
BRANCH   1  17
ATOM     17  C   LIG    1       -1.331  -1.027  -0.234  0.00  0.00    +0.053 A 
ATOM     18  N   LIG    1       -1.633  -1.163   1.086  0.00  0.00    -0.259 NA
ATOM     19  C   LIG    1       -2.443  -2.182   1.446  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1       -2.963  -3.104   0.556  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -2.633  -2.975  -0.786  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -1.806  -1.929  -1.189  0.00  0.00    +0.024 A 
ENDBRANCH   1  17
TORSDOF 4