REMARK  Name = BDB034095
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.325  -0.245  -0.361  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1        0.620   0.261   0.541  0.00  0.00    +0.062 A 
ATOM      3  C   LIG    1        1.960  -0.141   0.508  0.00  0.00    +0.132 A 
ATOM      4  F   LIG    1        2.803   0.409   1.393  0.00  0.00    -0.205 F 
ATOM      5  C   LIG    1        2.429  -1.062  -0.423  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        1.497  -1.552  -1.334  0.00  0.00    +0.132 A 
ATOM      7  F   LIG    1        1.888  -2.417  -2.282  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1        0.156  -1.158  -1.309  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        3.870  -1.515  -0.501  0.00  0.00    +0.111 C 
ATOM     10  C   LIG    1        4.534  -1.692   0.859  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        4.212  -2.587   1.638  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        5.500  -0.779   1.208  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        5.904  -0.902   2.126  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        5.829   0.388   0.568  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        6.604   1.193   1.077  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        5.144   0.655  -0.749  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        4.725  -0.640  -1.425  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  22
ATOM     18  C   LIG    1       -3.665   2.373  -1.000  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1       -3.639   1.333   0.144  0.00  0.00    -0.005 C 
ATOM     20  C   LIG    1       -4.014  -0.059  -0.409  0.00  0.00    +0.122 C 
ATOM     21  C   LIG    1       -2.713  -0.573  -1.037  0.00  0.00    +0.120 C 
ATOM     22  N   LIG    1       -1.643   0.154  -0.342  0.00  0.00    -0.328 N 
ATOM     23  C   LIG    1       -2.191   1.113   0.624  0.00  0.00    +0.112 C 
ATOM     24  C   LIG    1       -4.548   1.853   1.263  0.00  0.00    +0.013 C 
BRANCH  20  25
ATOM     25  C   LIG    1       -4.461  -1.081   0.611  0.00  0.00    +0.310 C 
ATOM     26  O   LIG    1       -4.176  -1.139   1.794  0.00  0.00    -0.251 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -5.255  -2.024   0.062  0.00  0.00    -0.480 OA
ATOM     28  H   LIG    1       -5.463  -2.624   0.810  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  20  25
ENDBRANCH   1  22
TORSDOF 4