REMARK  Name = BDB033827
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.394   2.505  -0.457  0.00  0.00    -0.283 OA
ATOM      2  C   LIG    1        0.717   1.379  -0.101  0.00  0.00    +0.235 A 
ATOM      3  C   LIG    1        1.895   0.718  -0.676  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1        2.217  -0.565  -0.249  0.00  0.00    +0.184 A 
ATOM      5  C   LIG    1        3.332  -1.210  -0.788  0.00  0.00    +0.203 A 
ATOM      6  C   LIG    1        4.118  -0.573  -1.752  0.00  0.00    +0.176 A 
ATOM      7  C   LIG    1        3.786   0.717  -2.176  0.00  0.00    +0.064 A 
ATOM      8 BR   LIG    1        4.832   1.608  -3.481  0.00  0.00    -0.046 Br
ATOM      9  O   LIG    1        1.484  -1.239   0.693  0.00  0.00    -0.443 OA
ATOM     10  C   LIG    1        0.377  -0.616   1.262  0.00  0.00    +0.254 A 
ATOM     11  C   LIG    1        2.675   1.368  -1.641  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -0.056   0.609   0.909  0.00  0.00    +0.222 A 
ENDROOT
BRANCH  10  13
ATOM     13  C   LIG    1       -0.271  -1.440   2.335  0.00  0.00    +0.454 C 
ATOM     14  F   LIG    1       -1.175  -2.309   1.816  0.00  0.00    -0.163 F 
ATOM     15  F   LIG    1        0.649  -2.194   2.997  0.00  0.00    -0.163 F 
ATOM     16  F   LIG    1       -0.909  -0.713   3.285  0.00  0.00    -0.163 F 
ENDBRANCH  10  13
BRANCH   6  17
ATOM     17  O   LIG    1        5.203  -1.236  -2.259  0.00  0.00    -0.502 OA
ATOM     18  H   LIG    1        5.637  -0.656  -2.909  0.00  0.00    +0.292 HD
ENDBRANCH   6  17
BRANCH   5  19
ATOM     19  O   LIG    1        3.669  -2.474  -0.379  0.00  0.00    -0.501 OA
ATOM     20  H   LIG    1        3.036  -2.758   0.303  0.00  0.00    +0.292 HD
ENDBRANCH   5  19
BRANCH  12  21
ATOM     21  O   LIG    1       -1.153   1.231   1.482  0.00  0.00    -0.448 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.394   0.881   0.999  0.00  0.00    +0.129 A 
ATOM     23  C   LIG    1       -2.684   0.771  -0.363  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -3.973   0.422  -0.771  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -4.971   0.196   0.177  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.686   0.329   1.535  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -3.400   0.679   1.946  0.00  0.00    +0.046 A 
ENDBRANCH  21  22
ENDBRANCH  12  21
TORSDOF 5