REMARK  Name = BDB046461
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.870   0.494   0.475  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.746   0.953  -0.528  0.00  0.00    -0.002 A 
ATOM      3  C   LIG    1       -1.651   2.299  -0.928  0.00  0.00    +0.017 A 
ATOM      4  C   LIG    1       -0.695   3.164  -0.372  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        0.193   2.667   0.592  0.00  0.00    +0.021 A 
ATOM      6  C   LIG    1        0.126   1.333   1.020  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -2.755   0.027  -1.194  0.00  0.00    +0.016 C 
ATOM      8  C   LIG    1       -4.193   0.495  -0.955  0.00  0.00    +0.012 C 
ATOM      9  C   LIG    1       -2.473  -0.125  -2.692  0.00  0.00    +0.012 C 
ENDBRANCH   2   7
BRANCH   4  10
ATOM     10  C   LIG    1       -0.620   4.617  -0.813  0.00  0.00    +0.367 C 
ATOM     11  F   LIG    1       -0.989   4.757  -2.127  0.00  0.00    -0.190 F 
ATOM     12  F   LIG    1        0.668   5.085  -0.765  0.00  0.00    -0.190 F 
BRANCH  10  13
ATOM     13  C   LIG    1       -1.516   5.520   0.060  0.00  0.00    +0.459 C 
ATOM     14  F   LIG    1       -2.823   5.158  -0.001  0.00  0.00    -0.165 F 
ATOM     15  F   LIG    1       -1.157   5.486   1.369  0.00  0.00    -0.165 F 
ATOM     16  F   LIG    1       -1.452   6.819  -0.328  0.00  0.00    -0.165 F 
ENDBRANCH  10  13
ENDBRANCH   4  10
BRANCH   6  17
ATOM     17  C   LIG    1        1.121   0.867   2.014  0.00  0.00    -0.040 C 
ATOM     18  C   LIG    1        2.103  -0.015   1.734  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1        0.989   1.476   3.386  0.00  0.00    +0.044 C 
BRANCH  18  20
ATOM     20  C   LIG    1        2.369  -0.642   0.453  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1        3.371  -1.517   0.263  0.00  0.00    +0.003 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.703  -2.201  -0.993  0.00  0.00    -0.044 C 
ATOM     23  C   LIG    1        4.792  -2.998  -1.009  0.00  0.00    +0.094 C 
ATOM     24  C   LIG    1        2.787  -1.969  -2.169  0.00  0.00    +0.044 C 
BRANCH  23  25
ATOM     25  C   LIG    1        5.323  -3.755  -2.157  0.00  0.00    +0.330 C 
ATOM     26  O   LIG    1        4.984  -3.724  -3.322  0.00  0.00    -0.246 OA
BRANCH  25  27
ATOM     27  O   LIG    1        6.324  -4.552  -1.741  0.00  0.00    -0.478 OA
ATOM     28  H   LIG    1        6.610  -5.005  -2.561  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  21  22
ENDBRANCH  18  20
ENDBRANCH   6  17
BRANCH   1  29
ATOM     29  O   LIG    1       -0.933  -0.824   0.861  0.00  0.00    -0.491 OA
BRANCH  29  30
ATOM     30  C   LIG    1       -1.779  -0.981   2.006  0.00  0.00    +0.229 C 
BRANCH  30  32
ATOM     31  C   LIG    1       -2.405  -3.337   1.317  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1       -1.802  -2.455   2.401  0.00  0.00    +0.038 C 
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 11