REMARK  Name = BDB009586
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.965   0.925   0.243  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1        1.835  -0.573  -0.004  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1        2.819  -1.307  -0.057  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1        0.522  -1.042  -0.122  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -0.604  -0.115   0.115  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -0.405   1.257  -0.619  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1        1.078   1.657  -0.759  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -1.978  -0.684  -0.243  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -2.295  -1.064  -1.558  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -3.565  -1.552  -1.873  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -4.530  -1.663  -0.876  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -6.094  -2.264  -1.264  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -4.236  -1.291   0.433  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -2.966  -0.802   0.749  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1       -1.238   2.364   0.026  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -0.922   2.900   1.285  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -1.720   3.898   1.849  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -1.316   4.540   3.394  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -2.841   4.375   1.176  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -3.170   3.849  -0.071  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -2.375   2.851  -0.641  0.00  0.00    +0.004 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1        3.426   1.372   0.103  0.00  0.00    +0.133 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.243   0.950   1.303  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1        3.792   0.785   2.429  0.00  0.00    -0.251 OA
BRANCH  23  26
ATOM     25  C   LIG    1        6.406   0.440   2.031  0.00  0.00    +0.280 C 
ATOM     26  O   LIG    1        5.556   0.849   0.959  0.00  0.00    -0.468 OA
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   1  22
BRANCH   4  27
ATOM     27  C   LIG    1        0.348  -2.488   0.054  0.00  0.00    +0.112 C 
BRANCH  27  28
ATOM     28  C   LIG    1        0.505  -3.212  -1.253  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1       -0.634  -3.988  -1.867  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1        0.521  -4.722  -1.256  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 7