REMARK  Name = BDB047701
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.267  -2.809   0.468  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -3.237  -0.109  -0.718  0.00  0.00    -0.046 A 
ATOM      3  C   LIG    1       -3.529  -1.393  -0.249  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -2.501  -2.258   0.135  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -1.165  -1.864   0.053  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -0.866  -0.587  -0.418  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -1.894   0.281  -0.804  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1       -4.340   0.840  -1.138  0.00  0.00    +0.053 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -4.957   1.741  -0.029  0.00  0.00    +0.068 C 
ATOM     10  C   LIG    1       -3.848   2.563   0.666  0.00  0.00    +0.023 C 
BRANCH   9  12
ATOM     11  C   LIG    1       -6.928   0.144   0.558  0.00  0.00    +0.005 C 
ATOM     12  C   LIG    1       -5.735   0.954   1.058  0.00  0.00    +0.015 C 
ENDBRANCH   9  12
BRANCH   9  13
ATOM     13  C   LIG    1       -5.918   2.757  -0.649  0.00  0.00    +0.311 C 
ATOM     14  O   LIG    1       -6.278   3.811  -0.147  0.00  0.00    -0.250 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.433   2.389  -1.837  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -7.039   3.125  -2.067  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   9  13
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1        1.126  -2.535   0.312  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.671  -1.825   1.550  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.147  -1.478   1.400  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        3.276  -0.549   0.326  0.00  0.00    -0.490 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.528  -0.108  -0.005  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        4.622   0.767  -1.096  0.00  0.00    +0.086 A 
ATOM     23 CL   LIG    1        3.215   1.256  -1.978  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1        5.860   1.268  -1.506  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1        7.030   0.908  -0.834  0.00  0.00    +0.132 A 
ATOM     26  C   LIG    1        6.943   0.039   0.254  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        5.701  -0.465   0.666  0.00  0.00    +0.051 A 
BRANCH  25  28
ATOM     28  O   LIG    1        8.168   1.469  -1.337  0.00  0.00    -0.406 OA
BRANCH  28  29
ATOM     29  C   LIG    1        9.399   1.152  -0.710  0.00  0.00    +0.575 C 
ATOM     30  F   LIG    1        9.403   1.548   0.581  0.00  0.00    -0.133 F 
ATOM     31  F   LIG    1        9.650  -0.173  -0.775  0.00  0.00    -0.133 F 
ATOM     32  F   LIG    1       10.394   1.801  -1.353  0.00  0.00    -0.133 F 
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 13