REMARK  Name = BDB062926
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.113  -1.826  -0.902  0.00  0.00    +0.162 C 
ATOM      2  N   LIG    1       -1.295  -1.522  -0.654  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -1.802  -0.325  -1.116  0.00  0.00    +0.226 C 
ATOM      4  O   LIG    1       -1.048   0.407  -1.774  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -1.918  -2.586   0.119  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1       -0.823  -3.623   0.356  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.198  -3.341  -0.739  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1  10
ATOM      8  N   LIG    1        2.338  -0.987  -0.352  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1        2.494  -1.225  -1.323  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1        1.038  -1.115   0.119  0.00  0.00    +0.238 C 
ATOM     11  O   LIG    1        0.638  -0.789   1.235  0.00  0.00    -0.273 OA
BRANCH   8  15
ATOM     12  C   LIG    1        5.784   0.541   1.567  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        5.809   0.124   0.236  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        4.656  -0.376  -0.376  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        3.454  -0.466   0.334  0.00  0.00    +0.034 A 
ATOM     16  C   LIG    1        3.433  -0.050   1.666  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        4.590   0.452   2.279  0.00  0.00    +0.047 A 
BRANCH  12  19
ATOM     18  C   LIG    1        6.989   1.476   3.388  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        6.976   1.008   2.045  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH   8  15
ENDBRANCH   1  10
BRANCH   3  20
ATOM     20  C   LIG    1       -3.308   0.068  -0.930  0.00  0.00    +0.066 C 
ATOM     21  C   LIG    1       -4.099  -0.742  -1.980  0.00  0.00    +0.025 C 
ATOM     22  C   LIG    1       -3.888  -0.244   0.463  0.00  0.00    +0.025 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -3.465   1.606  -1.111  0.00  0.00    -0.033 A 
ATOM     24  C   LIG    1       -2.749   2.477  -0.260  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1       -2.867   3.865  -0.372  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -3.707   4.408  -1.337  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1       -3.859   6.116  -1.479  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1       -4.425   3.575  -2.190  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -4.305   2.185  -2.078  0.00  0.00    +0.006 A 
ENDBRANCH  20  23
ENDBRANCH   3  20
TORSDOF 5