REMARK  Name = BDB059474
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.101  -0.524   0.551  0.00  0.00    -0.243 N 
ATOM      2  C   LIG    1       -2.121   0.843   0.543  0.00  0.00    +0.165 A 
ATOM      3  C   LIG    1       -0.851   1.245   0.171  0.00  0.00    +0.079 A 
ATOM      4  C   LIG    1       -0.668   2.622   0.073  0.00  0.00    +0.123 A 
ATOM      5  N   LIG    1       -1.695   3.457   0.360  0.00  0.00    -0.207 NA
ATOM      6  C   LIG    1       -2.866   2.937   0.740  0.00  0.00    +0.215 A 
ATOM      7 BR   LIG    1        0.954   3.405  -0.498  0.00  0.00    -0.028 Br
ATOM      8  C   LIG    1       -0.126   0.033  -0.010  0.00  0.00    +0.105 A 
ATOM      9  N   LIG    1       -3.163   1.639   0.832  0.00  0.00    -0.195 NA
ATOM     10  N   LIG    1       -0.905  -1.042   0.195  0.00  0.00    -0.168 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        1.271  -0.152  -0.376  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        2.285   0.236   0.520  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1        3.616   0.040   0.133  0.00  0.00    +0.112 A 
ATOM     14  C   LIG    1        3.884  -0.532  -1.100  0.00  0.00    +0.157 A 
ATOM     15  O   LIG    1        5.239  -0.614  -1.233  0.00  0.00    -0.425 OA
ATOM     16  C   LIG    1        5.710  -0.075  -0.073  0.00  0.00    +0.286 A 
ATOM     17  C   LIG    1        2.920  -0.944  -2.010  0.00  0.00    +0.049 A 
ATOM     18  N   LIG    1        4.793   0.319   0.780  0.00  0.00    -0.196 NA
ATOM     19  C   LIG    1        1.591  -0.742  -1.614  0.00  0.00    +0.014 A 
BRANCH  16  20
ATOM     20  N   LIG    1        7.037  -0.038   0.064  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        7.368   0.043   1.017  0.00  0.00    +0.147 HD
ATOM     22  H   LIG    1        7.561  -0.698  -0.497  0.00  0.00    +0.147 HD
ENDBRANCH  16  20
ENDBRANCH   8  11
BRANCH   1  24
ATOM     23  C   LIG    1       -2.890  -2.267   2.110  0.00  0.00    +0.032 C 
ATOM     24  C   LIG    1       -3.212  -1.407   0.888  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1       -3.622  -2.267  -0.306  0.00  0.00    +0.032 C 
ENDBRANCH   1  24
BRANCH   6  26
ATOM     26  N   LIG    1       -3.878   3.832   1.019  0.00  0.00    -0.327 N 
ATOM     27  H   LIG    1       -3.699   4.715   0.560  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1       -4.782   3.405   0.874  0.00  0.00    +0.145 HD
ENDBRANCH   6  26
TORSDOF 4