REMARK  Name = BDB026792
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.644  -2.305   1.871  0.00  0.00    -0.273 OA
ATOM      2  C   LIG    1       -0.941  -1.401   1.427  0.00  0.00    +0.243 C 
ATOM      3  C   LIG    1       -1.391  -0.467   0.276  0.00  0.00    +0.209 C 
ATOM      4  O   LIG    1       -0.353   0.265  -0.392  0.00  0.00    -0.357 OA
ATOM      5  C   LIG    1        0.599   0.831   0.527  0.00  0.00    +0.174 C 
ATOM      6  C   LIG    1        1.275  -0.293   1.367  0.00  0.00    +0.136 C 
ATOM      7  N   LIG    1        0.274  -1.137   2.005  0.00  0.00    -0.304 N 
ATOM      8  H   LIG    1        0.574  -1.823   2.687  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        1.584   1.728  -0.202  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1        2.232   2.762   0.495  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        3.163   3.580  -0.149  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        3.457   3.371  -1.494  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        4.608   4.377  -2.284  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        2.827   2.351  -2.201  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        1.894   1.534  -1.558  0.00  0.00    +0.007 A 
ENDBRANCH   5   9
BRANCH   6  16
ATOM     16  C   LIG    1        2.291  -1.149   0.620  0.00  0.00    -0.024 A 
ATOM     17  C   LIG    1        3.655  -1.052   0.952  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        4.613  -1.813   0.276  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        4.218  -2.682  -0.737  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1        5.397  -3.618  -1.570  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1        2.874  -2.795  -1.080  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        1.916  -2.033  -0.406  0.00  0.00    +0.007 A 
ENDBRANCH   6  16
BRANCH   3  23
ATOM     23  C   LIG    1       -2.472   0.504   0.789  0.00  0.00    +0.076 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.865   0.103   0.358  0.00  0.00    -0.044 A 
ATOM     25  C   LIG    1       -4.421   0.636  -0.816  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1       -5.700   0.255  -1.224  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1       -6.418  -0.662  -0.466  0.00  0.00    +0.123 A 
ATOM     28  F   LIG    1       -7.644  -1.028  -0.861  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -5.880  -1.207   0.693  0.00  0.00    +0.038 A 
ATOM     30  C   LIG    1       -4.602  -0.827   1.106  0.00  0.00    +0.006 A 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 4