REMARK  Name = BDB056772
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.790  -2.161   1.218  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.252  -1.414   0.106  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        0.796  -0.524   0.171  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.938  -0.069  -1.137  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        1.931   0.875  -1.441  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        2.763   1.336  -0.413  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        2.613   0.849   0.888  0.00  0.00    +0.131 A 
ATOM      8  N   LIG    1        0.015  -0.653  -1.963  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        1.612  -0.074   1.217  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -0.705  -1.452  -1.196  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1        3.395   1.308   1.927  0.00  0.00    -0.456 OA
BRANCH  11  12
ATOM     12  C   LIG    1        4.761   1.245   1.763  0.00  0.00    +0.130 A 
ATOM     13  C   LIG    1        5.414   0.129   1.229  0.00  0.00    +0.069 A 
ATOM     14  C   LIG    1        6.805   0.130   1.131  0.00  0.00    +0.080 A 
ATOM     15 CL   LIG    1        7.607  -1.240   0.465  0.00  0.00    -0.080 Cl
ATOM     16  C   LIG    1        7.535   1.232   1.577  0.00  0.00    +0.142 A 
ATOM     17  F   LIG    1        8.873   1.248   1.492  0.00  0.00    -0.204 F 
ATOM     18  C   LIG    1        6.888   2.335   2.128  0.00  0.00    +0.043 A 
ATOM     19  C   LIG    1        5.497   2.338   2.228  0.00  0.00    +0.049 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  20
ATOM     20  C   LIG    1       -1.852  -2.289  -1.667  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.994  -2.057  -0.836  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.822  -1.012  -1.143  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -5.032  -1.007  -0.444  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1       -5.972   0.010  -0.651  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1       -5.694   1.034  -1.562  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -4.483   1.037  -2.253  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -3.548   0.019  -2.043  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -7.239  -0.039   0.117  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -7.545  -0.887   0.934  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -8.067   0.979  -0.175  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -8.848   0.817   0.395  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 7