REMARK  Name = BDB011687
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.518   0.202   0.580  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1        1.817   0.894   0.718  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        3.005   0.179   0.481  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        4.256   0.795   0.586  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        4.319   2.135   0.938  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1        3.162   2.865   1.190  0.00  0.00    +0.039 A 
ATOM      7  F   LIG    1        5.511   2.736   1.042  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1        2.926  -1.260   0.134  0.00  0.00    +0.257 A 
ATOM      9  O   LIG    1        3.928  -1.926  -0.093  0.00  0.00    -0.267 OA
ATOM     10  N   LIG    1        1.667  -1.810   0.089  0.00  0.00    -0.319 N 
ATOM     11  H   LIG    1        1.639  -2.804  -0.103  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1        1.913   2.247   1.083  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        0.497  -1.122   0.314  0.00  0.00    +0.092 A 
ENDROOT
BRANCH  13  14
ATOM     14  C   LIG    1       -0.755  -1.900   0.230  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -1.643  -1.952   1.313  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1       -2.828  -2.693   1.231  0.00  0.00    +0.060 A 
ATOM     17 CL   LIG    1       -3.870  -2.696   2.608  0.00  0.00    -0.082 Cl
ATOM     18  C   LIG    1       -3.130  -3.396   0.061  0.00  0.00    +0.059 A 
ATOM     19 CL   LIG    1       -4.572  -4.330  -0.115  0.00  0.00    -0.082 Cl
ATOM     20  C   LIG    1       -2.247  -3.355  -1.021  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -1.065  -2.613  -0.937  0.00  0.00    +0.011 A 
ENDBRANCH  13  14
BRANCH   1  22
ATOM     22  O   LIG    1       -0.615   0.955   0.820  0.00  0.00    -0.488 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -1.173   1.464  -0.401  0.00  0.00    +0.244 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.409   2.300  -0.050  0.00  0.00    +0.119 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -3.068   2.880  -1.219  0.00  0.00    -0.327 NA
ATOM     26  H   LIG    1       -2.412   3.459  -1.742  0.00  0.00    +0.118 HD
ATOM     27  H   LIG    1       -3.371   2.142  -1.852  0.00  0.00    +0.118 HD
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 5