REMARK  Name = BDB055592
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.180  -0.057  -1.818  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -0.686   1.031  -1.881  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -2.037   0.853  -1.576  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.532  -0.411  -1.220  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -1.647  -1.501  -1.199  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -0.295  -1.326  -1.502  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.953  -0.592  -0.896  0.00  0.00    -0.006 A 
ATOM      8  C   LIG    1       -4.426  -0.648   0.434  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1       -5.805  -0.830   0.665  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -6.702  -0.949  -0.395  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.238  -0.890  -1.704  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.877  -0.713  -1.951  0.00  0.00    +0.009 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -3.488  -0.523   1.613  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1       -2.734   0.611   1.590  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -4.139  -0.493   2.814  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -2.612  -1.563   1.709  0.00  0.00    -0.166 F 
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  O   LIG    1        1.507   0.088  -2.112  0.00  0.00    -0.477 OA
BRANCH  17  18
ATOM     18  C   LIG    1        2.230   0.652  -1.002  0.00  0.00    +0.285 C 
BRANCH  18  20
ATOM     19  O   LIG    1        2.331   2.748  -2.269  0.00  0.00    -0.247 OA
ATOM     20  C   LIG    1        2.468   2.154  -1.208  0.00  0.00    +0.346 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.839   2.814  -0.082  0.00  0.00    -0.478 OA
ATOM     22  H   LIG    1        2.944   2.251   0.712  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  18  20
BRANCH  18  23
ATOM     23  C   LIG    1        3.574  -0.089  -0.940  0.00  0.00    +0.091 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.264   0.041   0.397  0.00  0.00    -0.043 A 
ATOM     25  C   LIG    1        3.770  -0.639   1.519  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        4.383  -0.487   2.763  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.496   0.341   2.896  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.999   1.014   1.785  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.389   0.864   0.539  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
ENDBRANCH  18  23
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8