REMARK  Name = BDB014295
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.549   0.386   0.725  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1       -2.609  -0.075  -0.201  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -2.907  -1.125  -1.060  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1       -1.766  -1.357  -1.863  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -0.788  -0.454  -1.483  0.00  0.00    +0.023 A 
ATOM      6  N   LIG    1       -4.102  -1.760  -1.064  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1       -4.996  -1.301  -0.163  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1       -1.319   0.319  -0.475  0.00  0.00    -0.356 N 
ATOM      9  H   LIG    1       -0.841   1.064   0.021  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1       -4.784  -0.262   0.731  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1       -2.149   2.102   1.636  0.00  0.00    -0.245 OA
ATOM     12  C   LIG    1       -3.210   1.503   1.625  0.00  0.00    +0.339 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -4.212   1.816   2.464  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1       -3.859   2.558   2.999  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   5  15
ATOM     15  C   LIG    1        0.602  -0.252  -1.991  0.00  0.00    +0.088 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.653  -0.453  -0.921  0.00  0.00    -0.038 A 
ATOM     17  C   LIG    1        2.357   0.641  -0.397  0.00  0.00    +0.051 A 
ATOM     18  C   LIG    1        3.326   0.447   0.592  0.00  0.00    +0.148 A 
ATOM     19  C   LIG    1        3.567  -0.834   1.099  0.00  0.00    +0.083 A 
ATOM     20 CL   LIG    1        4.715  -1.099   2.358  0.00  0.00    -0.080 Cl
ATOM     21  C   LIG    1        2.870  -1.927   0.584  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        1.921  -1.738  -0.423  0.00  0.00    +0.005 A 
BRANCH  18  23
ATOM     23  O   LIG    1        3.976   1.532   1.116  0.00  0.00    -0.404 OA
BRANCH  23  24
ATOM     24  C   LIG    1        5.043   1.944   0.268  0.00  0.00    +0.575 C 
ATOM     25  F   LIG    1        5.785   2.866   0.920  0.00  0.00    -0.133 F 
ATOM     26  F   LIG    1        5.846   0.912  -0.067  0.00  0.00    -0.133 F 
ATOM     27  F   LIG    1        4.561   2.515  -0.858  0.00  0.00    -0.133 F 
ENDBRANCH  23  24
ENDBRANCH  18  23
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 6