REMARK  Name = BDB001824
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.185   2.018  -2.189  0.00  0.00    -0.251 N 
ATOM      2  H   LIG    1       -0.044   2.743  -2.886  0.00  0.00    +0.158 HD
ATOM      3  C   LIG    1       -1.425   1.435  -2.216  0.00  0.00    +0.251 C 
ATOM      4  O   LIG    1       -2.294   1.827  -2.991  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.774   0.343  -1.300  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -1.459  -0.990  -1.582  0.00  0.00    +0.030 A 
ATOM      7 BR   LIG    1       -0.544  -1.510  -3.157  0.00  0.00    -0.050 Br
ATOM      8  C   LIG    1       -1.805  -1.984  -0.663  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -2.472  -1.647   0.518  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.804  -0.319   0.784  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -2.462   0.680  -0.127  0.00  0.00    +0.014 A 
ENDBRANCH   3   5
BRANCH   1  15
ATOM     12  C   LIG    1        2.268   1.071   0.181  0.00  0.00    +0.240 A 
ATOM     13  N   LIG    1        1.001   0.932  -0.328  0.00  0.00    -0.304 N 
ATOM     14  H   LIG    1        0.313   0.298   0.043  0.00  0.00    +0.170 HD
ATOM     15  C   LIG    1        0.894   1.801  -1.374  0.00  0.00    +0.221 A 
ATOM     16  N   LIG    1        2.033   2.448  -1.489  0.00  0.00    -0.113 NA
ATOM     17  N   LIG    1        2.897   1.992  -0.519  0.00  0.00    -0.121 NA
BRANCH  12  18
ATOM     18  C   LIG    1        2.825   0.343   1.291  0.00  0.00    +0.377 C 
ATOM     19  O   LIG    1        3.950   0.459   1.760  0.00  0.00    -0.241 OA
BRANCH  18  21
ATOM     20  C   LIG    1        2.331  -1.314   2.873  0.00  0.00    +0.280 C 
ATOM     21  O   LIG    1        1.881  -0.530   1.765  0.00  0.00    -0.462 OA
ENDBRANCH  18  21
ENDBRANCH  12  18
ENDBRANCH   1  15
TORSDOF 4