REMARK  Name = BDB056789
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.099   1.617   1.223  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.015   1.102  -0.121  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        0.852   0.215  -0.717  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.324   0.026  -1.990  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        0.966  -0.842  -2.887  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        2.133  -1.497  -2.475  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        2.654  -1.277  -1.200  0.00  0.00    +0.131 A 
ATOM      8  N   LIG    1       -0.818   0.762  -2.164  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        2.015  -0.433  -0.279  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -1.016   1.397  -1.023  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1        3.789  -1.984  -0.862  0.00  0.00    -0.456 OA
BRANCH  11  12
ATOM     12  C   LIG    1        4.844  -1.269  -0.340  0.00  0.00    +0.133 A 
ATOM     13  C   LIG    1        5.530  -1.854   0.727  0.00  0.00    +0.066 A 
ATOM     14  C   LIG    1        6.628  -1.198   1.282  0.00  0.00    +0.047 A 
ATOM     15 CL   LIG    1        7.465  -1.909   2.607  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1        7.054   0.026   0.774  0.00  0.00    +0.058 A 
ATOM     17  C   LIG    1        6.373   0.583  -0.301  0.00  0.00    +0.128 A 
ATOM     18  F   LIG    1        6.785   1.756  -0.802  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1        5.276  -0.053  -0.871  0.00  0.00    +0.084 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  20
ATOM     20  C   LIG    1       -2.164   2.312  -0.736  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.834   1.879   0.453  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.821   0.940   0.338  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -4.595   0.769   1.488  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1       -5.626  -0.175   1.511  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1       -5.909  -0.938   0.374  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -5.131  -0.775  -0.771  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -4.085   0.155  -0.786  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -6.419  -0.320   2.751  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -6.767   0.625   3.436  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -6.673  -1.608   3.065  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -6.190  -2.260   2.523  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 7