REMARK  Name = BDB045816
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.534  -1.206  -2.025  0.00  0.00    -0.484 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -2.377   0.692   0.299  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1       -2.184  -0.693   0.317  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -1.195  -1.278  -0.478  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -0.385  -0.496  -1.304  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -0.571   0.884  -1.324  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -1.560   1.473  -0.527  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1       -3.457   1.332   1.142  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -4.829   1.423   0.461  0.00  0.00    +0.231 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -4.759   2.272  -0.809  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1       -4.443   3.452  -0.841  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1       -5.102   1.565  -1.917  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1       -5.281   0.638  -1.629  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1       -5.342   0.122   0.103  0.00  0.00    -0.362 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -7.554   0.013   1.091  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -6.118  -0.502   1.134  0.00  0.00    +0.113 C 
ATOM     17  C   LIG    1       -6.093  -2.003   0.869  0.00  0.00    +0.037 C 
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  18
ATOM     18  C   LIG    1        1.398  -0.498  -2.926  0.00  0.00    +0.308 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.584   0.116  -2.264  0.00  0.00    +0.209 A 
ATOM     20  N   LIG    1        3.501  -0.617  -1.548  0.00  0.00    -0.188 NA
ATOM     21  C   LIG    1        4.351   0.306  -1.151  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1        4.027   1.557  -1.599  0.00  0.00    -0.333 OA
ATOM     23  N   LIG    1        2.856   1.427  -2.348  0.00  0.00    -0.057 NA
BRANCH  21  24
ATOM     24  C   LIG    1        5.551   0.179  -0.333  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        5.920  -1.082   0.160  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1        7.065  -1.240   0.948  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        7.874  -0.138   1.256  0.00  0.00    +0.055 A 
ATOM     28  C   LIG    1        7.504   1.126   0.774  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        6.358   1.281  -0.014  0.00  0.00    +0.014 A 
BRANCH  27  30
ATOM     30  C   LIG    1        9.098  -0.301   2.126  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1        9.676  -1.529   2.010  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        8.818  -0.142   3.448  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       10.079   0.600   1.840  0.00  0.00    -0.166 F 
ENDBRANCH  27  30
ENDBRANCH  21  24
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11