REMARK  Name = BDB033082
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.648   1.410  -0.159  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -0.520   0.665   0.492  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -1.578   1.649   0.505  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -1.075   2.938   0.457  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -1.707   3.973   0.592  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.418   2.859   0.271  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        1.579  -1.197  -0.569  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.345  -0.371  -0.079  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1        1.969   0.925   0.215  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        2.707   1.615   0.286  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1        3.761  -0.752   0.174  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1        4.312  -1.852  -0.502  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1        5.642  -2.218  -0.301  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        6.433  -1.502   0.596  0.00  0.00    +0.018 A 
ATOM     15  C   LIG    1        5.885  -0.426   1.293  0.00  0.00    +0.014 A 
ATOM     16  I   LIG    1        7.058   0.626   2.651  0.00  0.00    -0.044 I 
ATOM     17  C   LIG    1        4.554  -0.048   1.092  0.00  0.00    +0.031 A 
BRANCH  12  18
ATOM     18  O   LIG    1        3.603  -2.622  -1.385  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1        2.655  -2.363  -1.323  0.00  0.00    +0.292 HD
ENDBRANCH  12  18
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1       -2.929   1.340   0.932  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.619   0.384  -0.018  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1       -3.905  -0.960   0.316  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1       -4.539  -1.780  -0.638  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -4.882  -1.286  -1.897  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -4.598   0.034  -2.224  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.972   0.862  -1.294  0.00  0.00    +0.006 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -3.557  -1.538   1.669  0.00  0.00    +0.418 C 
ATOM     28  F   LIG    1       -3.855  -2.861   1.797  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -2.230  -1.431   1.963  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -4.215  -0.913   2.685  0.00  0.00    -0.166 F 
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6