REMARK  Name = BDB050626
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.194   0.701  -0.292  0.00  0.00    -0.028 C 
ATOM      2  C   LIG    1       -4.007  -0.502  -0.048  0.00  0.00    -0.011 A 
ATOM      3  C   LIG    1       -3.160  -1.592   0.240  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1       -3.666  -2.855   0.509  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -5.052  -3.023   0.486  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -5.890  -1.937   0.202  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1       -7.216  -2.127   0.184  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -1.795  -1.059   0.181  0.00  0.00    -0.016 C 
ATOM      9  C   LIG    1       -0.677  -1.769   0.395  0.00  0.00    +0.016 C 
ATOM     10  C   LIG    1       -5.382  -0.667  -0.068  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -1.901   0.350  -0.159  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        0.679  -1.217   0.342  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1        1.518  -1.535  -0.729  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        2.815  -1.014  -0.786  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        3.303  -0.168   0.223  0.00  0.00    -0.018 A 
ATOM     16  C   LIG    1        2.449   0.139   1.295  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        1.151  -0.380   1.356  0.00  0.00    +0.008 A 
BRANCH  15  18
ATOM     18  C   LIG    1        4.669   0.379   0.160  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1        4.902   1.760   0.273  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        6.198   2.281   0.213  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        7.284   1.428   0.039  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        7.076   0.056  -0.074  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        5.780  -0.463  -0.015  0.00  0.00    +0.008 A 
ENDBRANCH  15  18
ENDBRANCH   9  12
BRANCH   1  24
ATOM     24  C   LIG    1       -3.745   2.032  -0.664  0.00  0.00    +0.156 C 
BRANCH  24  26
ATOM     25  O   LIG    1       -4.529   2.346   1.638  0.00  0.00    -0.251 OA
ATOM     26  C   LIG    1       -4.412   2.758   0.496  0.00  0.00    +0.309 C 
BRANCH  26  27
ATOM     27  O   LIG    1       -4.898   3.971   0.125  0.00  0.00    -0.480 OA
ATOM     28  H   LIG    1       -4.742   4.196  -0.812  0.00  0.00    +0.295 HD
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 5