REMARK  Name = BDB051279
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.149  -2.514   0.284  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -4.125  -1.850   0.167  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1       -4.171  -0.430  -0.298  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1       -2.993   0.319  -0.427  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1       -3.023   1.647  -0.860  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -4.253   2.230  -1.167  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -5.435   1.494  -1.042  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -1.791  -0.325  -0.103  0.00  0.00    -0.215 N 
ATOM      9  C   LIG    1       -1.743  -1.627   0.323  0.00  0.00    +0.138 A 
ATOM     10  C   LIG    1       -0.422  -1.914   0.543  0.00  0.00    +0.076 A 
ATOM     11  C   LIG    1        0.282  -0.714   0.222  0.00  0.00    +0.095 A 
ATOM     12  N   LIG    1       -0.575   0.247  -0.172  0.00  0.00    -0.164 NA
ATOM     13  C   LIG    1       -5.398   0.165  -0.608  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -2.884  -2.384   0.459  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1       -2.849  -3.346   0.774  0.00  0.00    +0.170 HD
ENDROOT
BRANCH  11  16
ATOM     16  C   LIG    1        1.730  -0.467   0.281  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        2.254   0.785  -0.075  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        3.631   1.041  -0.026  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        4.514   0.044   0.382  0.00  0.00    +0.130 A 
ATOM     20  C   LIG    1        4.002  -1.206   0.739  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        2.626  -1.462   0.690  0.00  0.00    +0.013 A 
BRANCH  19  22
ATOM     22  O   LIG    1        5.871   0.147   0.479  0.00  0.00    -0.406 OA
BRANCH  22  23
ATOM     23  C   LIG    1        6.466   1.387   0.134  0.00  0.00    +0.575 C 
ATOM     24  F   LIG    1        6.223   1.702  -1.156  0.00  0.00    -0.133 F 
ATOM     25  F   LIG    1        6.023   2.380   0.934  0.00  0.00    -0.133 F 
ATOM     26  F   LIG    1        7.804   1.284   0.296  0.00  0.00    -0.133 F 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  11  16
TORSDOF 3