REMARK  Name = BDB055835
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.557   1.442  -0.722  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -0.311   1.777  -0.187  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1        0.452   0.827   0.516  0.00  0.00    -0.011 A 
ATOM      4  C   LIG    1       -0.071  -0.468   0.678  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -1.315  -0.815   0.141  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1       -2.050   0.145  -0.560  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.819  -2.163   0.298  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -3.031  -2.495   0.864  0.00  0.00    +0.142 A 
ATOM      9  C   LIG    1       -4.151  -1.733   1.450  0.00  0.00    +0.090 C 
ATOM     10  O   LIG    1       -3.168  -3.849   0.864  0.00  0.00    -0.359 OA
ATOM     11  N   LIG    1       -2.046  -4.431   0.307  0.00  0.00    -0.083 NA
ATOM     12  C   LIG    1       -1.240  -3.417  -0.032  0.00  0.00    +0.088 A 
ATOM     13  C   LIG    1        0.067  -3.693  -0.674  0.00  0.00    +0.070 C 
ENDBRANCH   5   7
BRANCH   1  14
ATOM     14  O   LIG    1       -2.382   2.279  -1.424  0.00  0.00    -0.492 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -3.021   4.369  -2.372  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1       -1.949   3.628  -1.594  0.00  0.00    +0.225 C 
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   3  17
ATOM     17  C   LIG    1        1.816   1.161   1.098  0.00  0.00    +0.175 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.949   0.361   0.479  0.00  0.00    -0.012 A 
ATOM     19  C   LIG    1        3.716  -0.511   1.266  0.00  0.00    +0.044 A 
ATOM     20  C   LIG    1        4.751  -1.240   0.689  0.00  0.00    +0.124 A 
ATOM     21  F   LIG    1        5.473  -2.071   1.452  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        5.048  -1.121  -0.663  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1        4.298  -0.256  -1.456  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        3.256   0.481  -0.888  0.00  0.00    +0.006 A 
ENDBRANCH  17  18
BRANCH  17  25
ATOM     25  O   LIG    1        2.113   2.553   0.974  0.00  0.00    -0.383 OA
ATOM     26  H   LIG    1        3.081   2.639   0.977  0.00  0.00    +0.211 HD
ENDBRANCH  17  25
ENDBRANCH   3  17
TORSDOF 6