REMARK  Name = BDB001790
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.292   0.378  -0.301  0.00  0.00    -0.251 N 
ATOM      2  H   LIG    1        0.549  -0.482   0.157  0.00  0.00    +0.158 HD
ATOM      3  C   LIG    1        1.258   1.105  -0.970  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1        1.147   2.224  -1.449  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.587   0.436  -1.055  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        2.708  -0.945  -1.261  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        3.975  -1.531  -1.335  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1        5.115  -0.737  -1.211  0.00  0.00    +0.018 A 
ATOM      9 BR   LIG    1        6.826  -1.534  -1.311  0.00  0.00    -0.050 Br
ATOM     10  C   LIG    1        5.004   0.640  -1.025  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1        3.739   1.228  -0.953  0.00  0.00    +0.014 A 
ENDBRANCH   3   5
BRANCH   1  15
ATOM     12  C   LIG    1       -3.092   0.888   0.495  0.00  0.00    +0.240 A 
ATOM     13  N   LIG    1       -1.929   0.166   0.559  0.00  0.00    -0.304 N 
ATOM     14  H   LIG    1       -1.810  -0.702   1.056  0.00  0.00    +0.170 HD
ATOM     15  C   LIG    1       -0.992   0.849  -0.164  0.00  0.00    +0.221 A 
ATOM     16  N   LIG    1       -1.555   1.932  -0.647  0.00  0.00    -0.113 NA
ATOM     17  N   LIG    1       -2.872   1.961  -0.237  0.00  0.00    -0.121 NA
BRANCH  12  18
ATOM     18  C   LIG    1       -4.346   0.548   1.115  0.00  0.00    +0.377 C 
ATOM     19  O   LIG    1       -5.392   1.182   1.065  0.00  0.00    -0.241 OA
BRANCH  18  21
ATOM     20  C   LIG    1       -5.390  -1.068   2.453  0.00  0.00    +0.280 C 
ATOM     21  O   LIG    1       -4.198  -0.634   1.794  0.00  0.00    -0.462 OA
ENDBRANCH  18  21
ENDBRANCH  12  18
ENDBRANCH   1  15
TORSDOF 4