REMARK  Name = BDB005042
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.125  -2.711   0.685  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -0.793  -2.730   2.179  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1        1.925  -0.859  -0.791  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1        0.937  -1.293   0.108  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.041  -2.230  -0.267  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -0.011  -2.726  -1.581  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1        0.969  -2.306  -2.479  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.934  -1.378  -2.084  0.00  0.00    +0.023 A 
BRANCH   3  10
ATOM      9  C   LIG    1        3.877   0.697  -1.022  0.00  0.00    +0.220 C 
ATOM     10  N   LIG    1        2.862   0.080  -0.310  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1        2.732   0.364   0.652  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1        4.105   0.572  -2.220  0.00  0.00    -0.275 OA
BRANCH   9  14
ATOM     13  C   LIG    1        5.631   2.517  -0.981  0.00  0.00    +0.017 C 
ATOM     14  C   LIG    1        4.744   1.600  -0.138  0.00  0.00    +0.081 C 
BRANCH  14  15
ATOM     15  C   LIG    1        5.546   0.788   0.892  0.00  0.00    +0.125 C 
BRANCH  15  16
ATOM     16  C   LIG    1        6.514  -0.227   0.315  0.00  0.00    +0.391 C 
ATOM     17  F   LIG    1        7.470   0.352  -0.435  0.00  0.00    -0.171 F 
ATOM     18  F   LIG    1        7.138  -0.876   1.328  0.00  0.00    -0.171 F 
ATOM     19  F   LIG    1        5.887  -1.158  -0.426  0.00  0.00    -0.171 F 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   9  14
ENDBRANCH   3  10
ENDBRANCH   1   5
BRANCH   1  20
ATOM     20  N   LIG    1       -2.427  -2.095   0.392  0.00  0.00    -0.322 N 
ATOM     21  H   LIG    1       -2.663  -2.247  -0.585  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.690  -0.745   0.687  0.00  0.00    +0.130 A 
ATOM     23  C   LIG    1       -3.971  -0.220   0.400  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1       -4.180   1.143   0.688  0.00  0.00    +0.088 A 
ATOM     25  C   LIG    1       -5.448   1.688   0.393  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1       -6.476   0.898  -0.158  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -6.267  -0.445  -0.422  0.00  0.00    +0.002 A 
ATOM     28  N   LIG    1       -3.189   1.883   1.233  0.00  0.00    -0.235 NA
ATOM     29  C   LIG    1       -2.028   1.276   1.494  0.00  0.00    +0.223 A 
ATOM     30  C   LIG    1       -5.025  -0.999  -0.143  0.00  0.00    +0.013 A 
ATOM     31  N   LIG    1       -1.733   0.001   1.254  0.00  0.00    -0.220 NA
BRANCH  25  32
ATOM     32  C   LIG    1       -5.803   3.122   0.639  0.00  0.00    +0.244 C 
ATOM     33  O   LIG    1       -6.926   3.556   0.401  0.00  0.00    -0.270 OA
ATOM     34  N   LIG    1       -4.847   3.954   1.139  0.00  0.00    -0.325 N 
ATOM     35  H   LIG    1       -3.922   3.604   1.371  0.00  0.00    +0.145 HD
ATOM     36  H   LIG    1       -5.085   4.917   1.328  0.00  0.00    +0.145 HD
ENDBRANCH  25  32
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 8