REMARK  Name = BDB050252
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.398  -1.258  -0.266  0.00  0.00    -0.491 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -3.692   1.255   0.281  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1       -3.340   0.372   1.309  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -2.243  -0.487   1.170  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -1.484  -0.472   0.001  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.833   0.407  -1.026  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -2.926   1.267  -0.890  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1       -4.885   2.172   0.428  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -6.075   1.728  -0.431  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -6.312   2.748  -1.548  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1       -5.546   2.964  -2.474  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1       -7.487   3.413  -1.395  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1       -7.916   3.076  -0.573  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1       -7.272   1.718   0.387  0.00  0.00    -0.365 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -7.130  -0.516   1.362  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1       -7.901   0.436   0.467  0.00  0.00    +0.157 C 
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1        0.091  -2.080   0.794  0.00  0.00    +0.244 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.349  -2.835   0.322  0.00  0.00    +0.125 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.506  -1.985  -0.020  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        3.092  -1.315   1.148  0.00  0.00    +0.089 C 
ATOM     21  C   LIG    1        4.202  -0.330   0.731  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1        5.143  -0.913  -0.293  0.00  0.00    -0.042 C 
ATOM     23  C   LIG    1        4.824  -2.051  -0.935  0.00  0.00    -0.008 C 
ATOM     24  C   LIG    1        3.527  -2.780  -0.722  0.00  0.00    +0.112 C 
BRANCH  22  25
ATOM     25  C   LIG    1        6.420  -0.227  -0.556  0.00  0.00    -0.022 A 
ATOM     26  C   LIG    1        6.766   0.145  -1.865  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1        7.971   0.802  -2.123  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        8.832   1.088  -1.072  0.00  0.00    +0.123 A 
ATOM     29  F   LIG    1        9.989   1.717  -1.318  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        8.511   0.731   0.232  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        7.305   0.075   0.490  0.00  0.00    +0.011 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11