REMARK  Name = BDB008004
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.106   2.201   0.366  0.00  0.00    +0.075 A 
ATOM      2  C   LIG    1       -1.183   2.867  -0.858  0.00  0.00    +0.136 A 
ATOM      3  F   LIG    1       -0.073   3.181  -1.541  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -2.420   3.225  -1.393  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -3.589   2.923  -0.695  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -3.498   2.261   0.530  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1       -2.268   1.916   1.086  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.465   2.320   2.056  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.194   1.844   0.955  0.00  0.00    +0.250 C 
ATOM     10  N   LIG    1        1.034   0.973   0.272  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1        2.347   0.676   0.850  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        3.365   0.236  -0.212  0.00  0.00    +0.128 C 
ATOM     13  N   LIG    1        2.892  -0.902  -1.019  0.00  0.00    -0.282 N 
ATOM     14  C   LIG    1        3.683  -2.019  -1.247  0.00  0.00    +0.305 C 
ATOM     15  N   LIG    1        5.045  -1.803  -1.391  0.00  0.00    -0.285 N 
ATOM     16  C   LIG    1        5.907  -2.981  -1.309  0.00  0.00    +0.109 C 
ATOM     17  C   LIG    1        7.389  -2.654  -1.512  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1        7.731  -1.268  -0.975  0.00  0.00    +0.003 C 
ATOM     19  C   LIG    1        6.872  -0.179  -1.629  0.00  0.00    +0.019 C 
ATOM     20  C   LIG    1        5.569  -0.720  -2.216  0.00  0.00    +0.109 C 
ATOM     21  O   LIG    1        3.197  -3.150  -1.293  0.00  0.00    -0.252 OA
ATOM     22  C   LIG    1        1.442  -1.108  -1.043  0.00  0.00    +0.128 C 
ATOM     23  C   LIG    1        0.655   0.201  -0.922  0.00  0.00    +0.127 C 
ENDBRANCH   1   9
BRANCH   6  24
ATOM     24  O   LIG    1       -4.667   1.995   1.249  0.00  0.00    -0.436 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -5.243   0.763   0.992  0.00  0.00    +0.246 A 
ATOM     26  C   LIG    1       -6.448   0.568   1.812  0.00  0.00    +0.051 A 
ATOM     27  C   LIG    1       -7.127  -0.635   1.639  0.00  0.00    +0.053 A 
ATOM     28  C   LIG    1       -8.286  -0.906   2.376  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1       -8.761   0.036   3.289  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -8.082   1.242   3.466  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -6.609  -1.620   0.670  0.00  0.00    +0.273 A 
ATOM     32  O   LIG    1       -7.178  -2.689   0.483  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -5.462  -1.267  -0.004  0.00  0.00    -0.239 N 
ATOM     34  H   LIG    1       -5.093  -1.933  -0.676  0.00  0.00    +0.192 HD
ATOM     35  C   LIG    1       -6.924   1.512   2.731  0.00  0.00    +0.014 A 
ATOM     36  N   LIG    1       -4.776  -0.096   0.139  0.00  0.00    -0.132 NA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 3