REMARK  Name = BDB026791
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.616   0.381   2.863  0.00  0.00    -0.273 OA
ATOM      2  C   LIG    1       -1.032   0.360   1.782  0.00  0.00    +0.243 C 
ATOM      3  C   LIG    1       -1.312   1.361   0.628  0.00  0.00    +0.209 C 
ATOM      4  O   LIG    1       -0.839   1.049  -0.686  0.00  0.00    -0.357 OA
ATOM      5  C   LIG    1        0.455   0.417  -0.694  0.00  0.00    +0.174 C 
ATOM      6  C   LIG    1        0.424  -0.839   0.232  0.00  0.00    +0.136 C 
ATOM      7  N   LIG    1        0.003  -0.521   1.585  0.00  0.00    -0.304 N 
ATOM      8  H   LIG    1        0.057  -1.242   2.295  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        1.536   1.477  -0.531  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1        2.121   1.810   0.699  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        3.099   2.808   0.783  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        3.495   3.492  -0.361  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        4.696   4.719  -0.254  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        2.917   3.194  -1.590  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        1.940   2.198  -1.671  0.00  0.00    +0.007 A 
ENDBRANCH   5   9
BRANCH   6  16
ATOM     16  C   LIG    1        1.685  -1.684   0.175  0.00  0.00    -0.024 A 
ATOM     17  C   LIG    1        2.674  -1.635   1.172  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        3.829  -2.416   1.073  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        4.009  -3.255  -0.023  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1        5.431  -4.215  -0.144  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1        3.042  -3.319  -1.022  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        1.888  -2.538  -0.924  0.00  0.00    +0.007 A 
ENDBRANCH   6  16
BRANCH   3  23
ATOM     23  C   LIG    1       -2.815   1.682   0.545  0.00  0.00    +0.076 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.669   0.501   0.127  0.00  0.00    -0.044 A 
ATOM     25  C   LIG    1       -3.804   0.167  -1.229  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1       -4.577  -0.930  -1.614  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1       -5.213  -1.693  -0.643  0.00  0.00    +0.123 A 
ATOM     28  F   LIG    1       -5.952  -2.748  -1.013  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -5.093  -1.380   0.705  0.00  0.00    +0.038 A 
ATOM     30  C   LIG    1       -4.322  -0.283   1.091  0.00  0.00    +0.006 A 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 4