REMARK  Name = BDB051847
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.735   0.430   0.420  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.992   1.740   0.805  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -2.078   2.044   1.530  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.130   2.759   0.418  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.004   2.460  -0.343  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.296   1.134  -0.709  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.407   0.117  -0.326  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -1.367  -1.224   1.893  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -1.636  -0.645   0.844  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1       -2.709  -0.982   0.023  0.00  0.00    -0.296 N 
ATOM     11  C   LIG    1       -3.657  -1.973   0.532  0.00  0.00    +0.123 C 
ATOM     12  C   LIG    1       -4.678  -1.387   1.526  0.00  0.00    +0.100 C 
ATOM     13  N   LIG    1       -5.158  -0.019   1.285  0.00  0.00    -0.314 NA
ATOM     14  H   LIG    1       -4.450   0.629   1.638  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1       -5.437   0.286  -0.115  0.00  0.00    +0.082 C 
ATOM     16  C   LIG    1       -4.211   0.817  -0.864  0.00  0.00    +0.034 C 
ATOM     17  C   LIG    1       -3.141  -0.234  -1.156  0.00  0.00    +0.109 C 
ENDBRANCH   1   9
BRANCH   6  18
ATOM     18  C   LIG    1        2.530   0.821  -1.530  0.00  0.00    +0.090 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.446  -0.209  -0.912  0.00  0.00    +0.044 A 
ATOM     20  N   LIG    1        4.251   0.117   0.194  0.00  0.00    -0.311 N 
ATOM     21  C   LIG    1        5.109  -0.807   0.771  0.00  0.00    +0.131 A 
ATOM     22  C   LIG    1        5.756  -0.199   1.829  0.00  0.00    +0.090 A 
ATOM     23  C   LIG    1        5.289   1.134   1.892  0.00  0.00    +0.078 A 
ATOM     24 CL   LIG    1        5.764   2.328   3.006  0.00  0.00    -0.080 Cl
ATOM     25 CL   LIG    1        6.910  -0.888   2.874  0.00  0.00    -0.080 Cl
ATOM     26  C   LIG    1        5.202  -2.145   0.239  0.00  0.00    +0.274 A 
ATOM     27  O   LIG    1        5.927  -3.037   0.668  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1        4.388  -2.381  -0.856  0.00  0.00    -0.326 N 
ATOM     29  H   LIG    1        4.449  -3.319  -1.235  0.00  0.00    +0.168 HD
ATOM     30  C   LIG    1        4.375   1.304   0.878  0.00  0.00    +0.113 A 
ATOM     31  C   LIG    1        3.543  -1.455  -1.419  0.00  0.00    +0.108 A 
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 3