REMARK  Name = BDB003092
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.317  -1.386   1.267  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -3.243  -1.371   0.220  0.00  0.00    -0.050 A 
ATOM      3  C   LIG    1       -2.218  -0.419   0.272  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1       -1.175  -0.393  -0.680  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1       -0.123   0.699  -0.660  0.00  0.00    +0.139 C 
ATOM      6  N   LIG    1        1.208   0.116  -0.522  0.00  0.00    -0.275 N 
ATOM      7  C   LIG    1        1.857  -0.152  -1.797  0.00  0.00    +0.205 C 
ATOM      8  C   LIG    1        1.125  -1.055  -2.799  0.00  0.00    +0.235 C 
ATOM      9  N   LIG    1       -0.125  -1.562  -2.624  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1       -0.330  -2.226  -3.363  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        1.701  -1.365  -3.851  0.00  0.00    -0.274 OA
ATOM     12  C   LIG    1        1.547  -0.580   0.649  0.00  0.00    +0.283 C 
ATOM     13  O   LIG    1        0.720  -0.791   1.536  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -1.131  -1.401  -1.655  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -2.171  -2.345  -1.711  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -3.213  -2.335  -0.783  0.00  0.00    +0.005 A 
ENDROOT
BRANCH  12  17
ATOM     17  C   LIG    1        2.925  -1.006   0.834  0.00  0.00    +0.191 A 
ATOM     18  O   LIG    1        3.954  -0.299   0.272  0.00  0.00    -0.444 OA
ATOM     19  C   LIG    1        5.114  -0.889   0.661  0.00  0.00    +0.171 A 
ATOM     20 BR   LIG    1        6.843  -0.302   0.131  0.00  0.00    -0.008 Br
ATOM     21  C   LIG    1        4.856  -1.956   1.489  0.00  0.00    +0.058 A 
ATOM     22  C   LIG    1        3.447  -2.021   1.617  0.00  0.00    +0.056 A 
ENDBRANCH  12  17
BRANCH   5  23
ATOM     23  C   LIG    1       -0.399   1.971   0.154  0.00  0.00    -0.023 A 
ATOM     24  C   LIG    1        0.367   2.383   1.254  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        0.066   3.564   1.941  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -1.001   4.362   1.536  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -1.769   3.982   0.442  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -1.470   2.802  -0.243  0.00  0.00    +0.006 A 
ENDBRANCH   5  23
TORSDOF 2