REMARK  Name = BDB062085
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.616   1.365   0.486  0.00  0.00    +0.234 A 
ATOM      2  N   LIG    1       -0.082   0.691  -0.451  0.00  0.00    -0.209 NA
ATOM      3  C   LIG    1       -1.397   0.450  -0.172  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1       -1.979   0.857   1.047  0.00  0.00    +0.097 A 
ATOM      5  N   LIG    1       -1.258   1.550   1.975  0.00  0.00    -0.248 NA
ATOM      6  C   LIG    1        0.039   1.789   1.670  0.00  0.00    +0.178 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.113  -0.237  -1.263  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -1.605  -1.434  -1.802  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -2.269  -2.103  -2.835  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1       -3.450  -1.576  -3.349  0.00  0.00    +0.018 A 
ATOM     11 BR   LIG    1       -4.352  -2.477  -4.744  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1       -3.967  -0.385  -2.847  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1       -3.298   0.282  -1.815  0.00  0.00    +0.011 A 
ENDBRANCH   3   7
BRANCH   4  14
ATOM     14  C   LIG    1       -3.368   0.578   1.458  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -3.901  -0.724   1.441  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -5.222  -0.970   1.829  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1       -6.025   0.085   2.252  0.00  0.00    +0.018 A 
ATOM     18 BR   LIG    1       -7.811  -0.245   2.776  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1       -5.519   1.380   2.299  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1       -4.198   1.621   1.909  0.00  0.00    +0.011 A 
ENDBRANCH   4  14
BRANCH   1  21
ATOM     21  O   LIG    1        1.946   1.663   0.284  0.00  0.00    -0.475 OA
BRANCH  21  22
ATOM     22  C   LIG    1        2.451   1.185  -0.963  0.00  0.00    +0.231 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.932   1.547  -1.070  0.00  0.00    +0.042 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.807   1.030   0.080  0.00  0.00    +0.018 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.830  -0.499   0.180  0.00  0.00    +0.080 C 
BRANCH  25  27
ATOM     26  C   LIG    1        7.103  -0.856   0.974  0.00  0.00    +0.101 C 
ATOM     27  N   LIG    1        5.681  -0.984   1.270  0.00  0.00    -0.319 NA
ATOM     28  H   LIG    1        5.475  -1.971   1.428  0.00  0.00    +0.122 HD
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 8