REMARK  Name = BDB026729
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.568  -2.742   0.106  0.00  0.00    -0.273 OA
ATOM      2  C   LIG    1        1.634  -2.054   0.521  0.00  0.00    +0.242 C 
ATOM      3  N   LIG    1        1.323  -0.796  -0.012  0.00  0.00    -0.289 N 
ATOM      4  C   LIG    1        0.382   0.064   0.734  0.00  0.00    +0.139 C 
ATOM      5  C   LIG    1       -0.741  -0.733   1.476  0.00  0.00    +0.174 C 
ATOM      6  O   LIG    1       -0.137  -1.706   2.340  0.00  0.00    -0.361 OA
ATOM      7  C   LIG    1        0.715  -2.592   1.636  0.00  0.00    +0.256 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -0.200   1.253  -0.026  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1       -0.680   1.151  -1.341  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -1.239   2.256  -1.990  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -1.329   3.477  -1.327  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -2.015   4.837  -2.125  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -0.867   3.601  -0.020  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.310   2.495   0.627  0.00  0.00    +0.007 A 
ENDBRANCH   4   8
BRANCH   5  15
ATOM     15  C   LIG    1       -1.891  -1.368   0.703  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1       -3.174  -1.358   1.283  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -4.261  -1.940   0.629  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -5.819  -1.901   1.360  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -4.094  -2.554  -0.607  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -2.829  -2.591  -1.188  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -1.737  -2.009  -0.536  0.00  0.00    +0.006 A 
ENDBRANCH   5  15
BRANCH   3  22
ATOM     22  C   LIG    1        2.350  -0.187  -0.861  0.00  0.00    +0.112 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.425   0.464  -0.039  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1        3.406   1.943   0.257  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        4.416   1.385  -0.706  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 4