REMARK  Name = BDB017055
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.058   0.021  -1.209  0.00  0.00    +0.115 A 
ATOM      2  C   LIG    1       -0.126   0.429  -0.599  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1       -1.105   0.154  -1.537  0.00  0.00    -0.325 N 
ATOM      4  C   LIG    1       -0.488  -0.350  -2.649  0.00  0.00    +0.200 A 
ATOM      5  N   LIG    1        0.807  -0.458  -2.482  0.00  0.00    -0.234 NA
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -0.385   1.005   0.715  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -0.562   2.387   0.860  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -0.814   2.933   2.120  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1       -0.882   2.096   3.228  0.00  0.00    +0.123 A 
ATOM     10  F   LIG    1       -1.127   2.621   4.436  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -0.699   0.724   3.103  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -0.447   0.176   1.845  0.00  0.00    +0.013 A 
ENDBRANCH   2   6
BRANCH   1  15
ATOM     13  C   LIG    1        4.751  -0.418  -0.816  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1        3.469  -0.489  -1.362  0.00  0.00    +0.045 A 
ATOM     15  C   LIG    1        2.413   0.076  -0.658  0.00  0.00    +0.092 A 
ATOM     16  N   LIG    1        2.593   0.696   0.535  0.00  0.00    -0.253 NA
ATOM     17  C   LIG    1        3.842   0.751   1.040  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1        4.947   0.214   0.410  0.00  0.00    +0.035 A 
BRANCH  13  20
ATOM     19  O   LIG    1        5.789  -1.595  -2.641  0.00  0.00    -0.245 OA
ATOM     20  C   LIG    1        5.871  -1.024  -1.570  0.00  0.00    +0.337 C 
BRANCH  20  21
ATOM     21  O   LIG    1        7.053  -0.886  -0.943  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1        7.687  -1.326  -1.547  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  13  20
ENDBRANCH   1  15
BRANCH   3  23
ATOM     23  C   LIG    1       -2.533   0.444  -1.459  0.00  0.00    +0.160 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.288  -0.487  -0.540  0.00  0.00    -0.009 A 
ATOM     25  C   LIG    1       -3.605  -1.812  -0.879  0.00  0.00    +0.046 A 
ATOM     26 CL   LIG    1       -3.205  -2.490  -2.415  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1       -4.298  -2.633   0.019  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -4.692  -2.143   1.262  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.404  -0.827   1.607  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.715  -0.006   0.713  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6