REMARK  Name = BDB058690
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.773   1.179   0.246  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1       -3.686   0.130   0.188  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -3.227  -1.194   0.261  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1       -1.847  -1.499   0.376  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.928  -0.422   0.413  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        0.443  -0.730   0.522  0.00  0.00    +0.223 A 
ATOM      7  N   LIG    1        0.941  -1.983   0.590  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1        0.045  -2.991   0.558  0.00  0.00    +0.130 A 
ATOM      9  C   LIG    1       -1.328  -2.811   0.454  0.00  0.00    +0.044 A 
ATOM     10 BR   LIG    1       -2.414  -4.368   0.416  0.00  0.00    -0.048 Br
ATOM     11  C   LIG    1       -1.408   0.906   0.338  0.00  0.00    +0.060 A 
ENDROOT
BRANCH   2  12
ATOM     12  C   LIG    1       -5.141   0.386   0.087  0.00  0.00    +0.245 C 
ATOM     13  O   LIG    1       -5.719   1.187   0.808  0.00  0.00    -0.270 OA
ATOM     14  N   LIG    1       -5.813  -0.344  -0.856  0.00  0.00    -0.325 N 
ATOM     15  H   LIG    1       -5.326  -0.809  -1.610  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1       -6.776  -0.076  -1.017  0.00  0.00    +0.145 HD
ENDBRANCH   2  12
BRANCH   1  18
ATOM     17  C   LIG    1       -3.211   3.140   1.365  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -3.174   2.479   0.098  0.00  0.00    -0.494 OA
ENDBRANCH   1  18
BRANCH   6  19
ATOM     19  O   LIG    1        1.330   0.331   0.543  0.00  0.00    -0.474 OA
BRANCH  19  20
ATOM     20  C   LIG    1        2.704  -0.027   0.745  0.00  0.00    +0.253 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.374  -0.427  -0.583  0.00  0.00    +0.111 C 
ATOM     22  N   LIG    1        3.517   0.700  -1.474  0.00  0.00    -0.309 N 
ATOM     23  H   LIG    1        2.749   1.181  -1.927  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        4.763   1.284  -1.397  0.00  0.00    +0.213 C 
ATOM     25  O   LIG    1        5.083   2.333  -1.926  0.00  0.00    -0.276 OA
ATOM     26  C   LIG    1        5.627   0.428  -0.506  0.00  0.00    +0.098 C 
ATOM     27  C   LIG    1        4.822  -0.866  -0.390  0.00  0.00    +0.035 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 5