REMARK  Name = BDB054169
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.394   0.168  -0.442  0.00  0.00    +0.311 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.724  -0.296   0.134  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -2.372   0.442   1.139  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1       -3.598   0.018   1.653  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -4.191  -1.147   1.171  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -3.559  -1.890   0.175  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -2.332  -1.468  -0.341  0.00  0.00    +0.008 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1       -0.152   2.570  -1.005  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -0.574   1.452  -1.267  0.00  0.00    +0.351 C 
BRANCH   9  10
ATOM     10  O   LIG    1       -1.269   1.256  -2.412  0.00  0.00    -0.478 OA
ATOM     11  H   LIG    1       -1.327   2.149  -2.810  0.00  0.00    +0.295 HD
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  12
ATOM     12  O   LIG    1        0.501   0.373   0.663  0.00  0.00    -0.470 OA
BRANCH  12  13
ATOM     13  C   LIG    1        1.823   0.247   0.333  0.00  0.00    +0.157 A 
ATOM     14  C   LIG    1        2.385  -0.947  -0.123  0.00  0.00    +0.166 A 
ATOM     15  F   LIG    1        1.619  -2.035  -0.296  0.00  0.00    -0.202 F 
ATOM     16  C   LIG    1        3.745  -1.037  -0.398  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1        4.553   0.079  -0.196  0.00  0.00    +0.044 A 
ATOM     18 CL   LIG    1        6.237  -0.016  -0.532  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1        4.009   1.273   0.281  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        2.641   1.353   0.556  0.00  0.00    +0.050 A 
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 5