REMARK  Name = BDB024079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.412   0.473   0.471  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        1.459  -0.112  -0.342  0.00  0.00    -0.280 N 
ATOM      3  H   LIG    1        1.790  -0.623  -1.154  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        2.183   1.119   1.489  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        6.192   0.748   0.541  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1        4.837   0.880   0.872  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1        3.841   0.298   0.067  0.00  0.00    +0.073 A 
ATOM      8  C   LIG    1        4.233  -0.415  -1.069  0.00  0.00    +0.136 A 
ATOM      9  F   LIG    1        3.325  -0.991  -1.871  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        5.579  -0.552  -1.406  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1        6.560   0.029  -0.601  0.00  0.00    +0.022 A 
BRANCH   5  13
ATOM     12  N   LIG    1        8.022   1.825   2.031  0.00  0.00    -0.191 NA
ATOM     13  C   LIG    1        7.199   1.346   1.369  0.00  0.00    +0.099 C 
ENDBRANCH   5  13
ENDBRANCH   1   7
BRANCH   2  14
ATOM     14  C   LIG    1        0.057  -0.087  -0.172  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1       -0.740  -0.746  -1.106  0.00  0.00    +0.134 A 
ATOM     16  N   LIG    1       -2.094  -0.804  -1.068  0.00  0.00    -0.253 NA
ATOM     17  C   LIG    1       -2.724  -0.181  -0.041  0.00  0.00    +0.071 A 
ATOM     18  C   LIG    1       -2.004   0.509   0.933  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1       -0.607   0.554   0.865  0.00  0.00    +0.027 A 
BRANCH  17  20
ATOM     20  C   LIG    1       -4.200  -0.279  -0.039  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -4.950  -0.281   1.154  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1       -6.346  -0.372   1.135  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1       -7.011  -0.467  -0.080  0.00  0.00    +0.123 A 
ATOM     24  F   LIG    1       -8.347  -0.554  -0.097  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -6.307  -0.476  -1.274  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1       -4.912  -0.386  -1.252  0.00  0.00    +0.013 A 
ENDBRANCH  17  20
ENDBRANCH   2  14
TORSDOF 4