REMARK  Name = BDB026753
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.176  -3.216   1.847  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -0.430  -2.138   1.220  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -1.085  -0.824   1.098  0.00  0.00    +0.139 C 
ATOM      4  C   LIG    1       -0.036   0.293   0.830  0.00  0.00    +0.174 C 
ATOM      5  O   LIG    1        0.737  -0.020  -0.336  0.00  0.00    -0.357 OA
ATOM      6  C   LIG    1        1.430  -1.262  -0.220  0.00  0.00    +0.209 C 
ATOM      7  C   LIG    1        0.698  -2.446   0.468  0.00  0.00    +0.245 C 
ATOM      8  O   LIG    1        1.141  -3.592   0.381  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1       -2.249  -0.863   0.108  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1       -3.539  -0.508   0.546  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -4.625  -0.525  -0.333  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -4.434  -0.897  -1.660  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -5.770  -0.917  -2.744  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -3.167  -1.254  -2.115  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.081  -1.236  -1.235  0.00  0.00    +0.007 A 
ENDBRANCH   3   9
BRANCH   4  16
ATOM     16  C   LIG    1       -0.632   1.686   0.714  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1       -0.893   2.275  -0.533  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -1.463   3.547  -0.618  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -1.777   4.242   0.546  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1       -2.478   5.809   0.444  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1       -1.526   3.676   1.793  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -0.958   2.404   1.878  0.00  0.00    +0.007 A 
ENDBRANCH   4  16
BRANCH   6  23
ATOM     23  C   LIG    1        2.797  -1.066   0.464  0.00  0.00    +0.076 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.792  -0.344  -0.416  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1        3.736   1.042  -0.579  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        4.667   1.653  -1.406  0.00  0.00    +0.111 A 
ATOM     27  N   LIG    1        5.636   0.987  -2.069  0.00  0.00    -0.263 NA
ATOM     28  C   LIG    1        5.670  -0.351  -1.901  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1        4.782  -1.054  -1.100  0.00  0.00    +0.023 A 
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 4