REMARK  Name = BDB001126
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.752   0.191  -1.503  0.00  0.00    +0.075 C 
ENDROOT
BRANCH   1  10
ATOM      2  O   LIG    1       -6.041  -1.685  -1.581  0.00  0.00    -0.267 OA
ATOM      3  C   LIG    1       -5.369  -0.737  -1.198  0.00  0.00    +0.261 A 
ATOM      4  C   LIG    1       -5.902   0.411  -0.426  0.00  0.00    +0.083 A 
ATOM      5  C   LIG    1       -4.970   1.404  -0.080  0.00  0.00    +0.080 A 
ATOM      6  C   LIG    1       -5.391   2.521   0.650  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -6.721   2.660   1.037  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -7.643   1.674   0.693  0.00  0.00    +0.021 A 
ATOM      9  N   LIG    1       -3.610   1.342  -0.430  0.00  0.00    -0.234 NA
ATOM     10  C   LIG    1       -3.201   0.321  -1.106  0.00  0.00    +0.110 A 
ATOM     11  C   LIG    1       -7.242   0.548  -0.037  0.00  0.00    +0.055 A 
ATOM     12 CL   LIG    1       -8.479  -0.602  -0.400  0.00  0.00    -0.083 Cl
ATOM     13  N   LIG    1       -4.026  -0.696  -1.485  0.00  0.00    -0.310 N 
ATOM     14  H   LIG    1       -3.674  -1.487  -2.007  0.00  0.00    +0.170 HD
ENDBRANCH   1  10
BRANCH   1  15
ATOM     15  C   LIG    1       -1.047  -0.851  -0.634  0.00  0.00    +0.023 C 
BRANCH  15  16
ATOM     16  C   LIG    1        0.445  -0.934  -0.979  0.00  0.00    +0.085 C 
BRANCH  16  17
ATOM     17  N   LIG    1        1.109  -2.025  -0.249  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1        2.369  -2.428  -0.902  0.00  0.00    +0.089 C 
ATOM     19  C   LIG    1        3.463  -1.345  -0.878  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1        3.587  -0.692   0.478  0.00  0.00    -0.042 C 
ATOM     21  C   LIG    1        2.619  -0.867   1.399  0.00  0.00    -0.008 C 
ATOM     22  C   LIG    1        1.381  -1.688   1.159  0.00  0.00    +0.112 C 
BRANCH  20  23
ATOM     23  C   LIG    1        4.783   0.130   0.754  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1        5.272   1.029  -0.204  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        6.413   1.796   0.049  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        7.084   1.671   1.263  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.616   0.778   2.224  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        5.474   0.013   1.970  0.00  0.00    +0.008 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5