REMARK  Name = BDB054175
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.288  -2.304   0.437  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1        1.066  -4.373   1.467  0.00  0.00    -0.247 OA
ATOM      3  C   LIG    1        0.346  -3.819   0.648  0.00  0.00    +0.346 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -0.496  -4.514  -0.156  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1       -0.986  -3.892  -0.738  0.00  0.00    +0.295 HD
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1   6
ATOM      6  O   LIG    1       -0.624  -2.093  -0.661  0.00  0.00    -0.477 OA
BRANCH   6   7
ATOM      7  C   LIG    1       -1.222  -0.875  -0.808  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1       -1.404   0.082   0.191  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1       -1.998   1.331  -0.095  0.00  0.00    +0.077 A 
ATOM     10  C   LIG    1       -2.439   1.584  -1.398  0.00  0.00    +0.053 A 
ATOM     11 CL   LIG    1       -3.175   3.079  -1.846  0.00  0.00    -0.083 Cl
ATOM     12  C   LIG    1       -2.294   0.613  -2.391  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1       -1.690  -0.610  -2.094  0.00  0.00    +0.047 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -2.132   2.362   0.994  0.00  0.00    +0.419 C 
ATOM     15  F   LIG    1       -1.655   1.933   2.199  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -3.425   2.718   1.230  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1       -1.457   3.514   0.729  0.00  0.00    -0.166 F 
ENDBRANCH   9  14
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1        1.707  -1.819   0.094  0.00  0.00    +0.091 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.899  -0.335   0.313  0.00  0.00    -0.043 A 
ATOM     20  C   LIG    1        2.001   0.180   1.614  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        2.122   1.555   1.821  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        2.150   2.425   0.734  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        2.068   1.922  -0.563  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        1.947   0.548  -0.774  0.00  0.00    +0.004 A 
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7