REMARK  Name = BDB047369
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.027  -0.875  -2.352  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -5.231   0.095   0.266  0.00  0.00    +0.210 C 
ATOM      3  O   LIG    1       -3.877  -0.335   0.603  0.00  0.00    -0.474 OA
ATOM      4  C   LIG    1       -3.165  -0.192  -0.559  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1       -3.837   0.520  -1.536  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -3.248   0.766  -2.760  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -1.962   0.263  -2.979  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -1.278  -0.463  -1.984  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1       -1.889  -0.686  -0.749  0.00  0.00    +0.091 A 
ATOM     10  C   LIG    1       -5.145   0.971  -1.005  0.00  0.00    +0.098 C 
BRANCH   2  12
ATOM     11  C   LIG    1       -7.169   1.454   1.291  0.00  0.00    +0.008 C 
ATOM     12  C   LIG    1       -5.779   0.862   1.482  0.00  0.00    +0.057 C 
ENDBRANCH   2  12
BRANCH   2  13
ATOM     13  C   LIG    1       -6.102  -1.150   0.018  0.00  0.00    +0.349 C 
ATOM     14  O   LIG    1       -7.007  -1.255  -0.797  0.00  0.00    -0.246 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -5.828  -2.184   0.842  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -6.445  -2.890   0.561  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   2  13
ENDBRANCH   1   8
BRANCH   1  17
ATOM     17  C   LIG    1        0.707  -1.718  -1.465  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.534  -0.886  -0.492  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.397  -1.771   0.398  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        3.118  -0.981   1.342  0.00  0.00    -0.490 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.381  -0.550   1.037  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        5.126   0.015   2.084  0.00  0.00    +0.086 A 
ATOM     23 CL   LIG    1        4.473   0.137   3.684  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1        6.427   0.496   1.875  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1        7.001   0.423   0.609  0.00  0.00    +0.132 A 
ATOM     26  C   LIG    1        6.260  -0.131  -0.438  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        4.961  -0.612  -0.230  0.00  0.00    +0.051 A 
BRANCH  25  28
ATOM     28  O   LIG    1        8.249   0.847   0.253  0.00  0.00    -0.406 OA
BRANCH  28  29
ATOM     29  C   LIG    1        9.069   1.421   1.258  0.00  0.00    +0.575 C 
ATOM     30  F   LIG    1        8.501   2.532   1.770  0.00  0.00    -0.133 F 
ATOM     31  F   LIG    1       10.252   1.768   0.706  0.00  0.00    -0.133 F 
ATOM     32  F   LIG    1        9.310   0.537   2.249  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 11