REMARK  Name = BDB029776
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.791  -0.894  -1.083  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -0.404  -1.555  -0.863  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.549  -2.104  -0.011  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.876   0.032  -1.889  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        4.361  -1.027   0.155  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        3.206  -0.688  -0.564  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        1.979  -1.319  -0.299  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        1.921  -2.304   0.686  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        0.759  -2.917   0.963  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        3.068  -2.657   1.396  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        3.000  -3.876   2.611  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        4.285  -2.025   1.133  0.00  0.00    +0.033 A 
BRANCH   5  17
ATOM     13  C   LIG    1        7.836   2.517  -0.602  0.00  0.00    +0.086 C 
ATOM     14  C   LIG    1        7.202   1.181  -0.462  0.00  0.00    +0.107 A 
ATOM     15  N   LIG    1        5.881   0.985  -0.120  0.00  0.00    -0.331 N 
ATOM     16  C   LIG    1        4.940   2.029   0.218  0.00  0.00    +0.150 C 
ATOM     17  C   LIG    1        5.635  -0.375  -0.125  0.00  0.00    +0.068 A 
ATOM     18  C   LIG    1        6.863  -0.931  -0.430  0.00  0.00    +0.139 A 
ATOM     19  N   LIG    1        7.813   0.029  -0.638  0.00  0.00    -0.240 NA
ENDBRANCH   5  17
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  N   LIG    1       -1.659  -0.845  -1.391  0.00  0.00    -0.112 NA
ATOM     21  H   LIG    1       -1.381  -0.077  -2.026  0.00  0.00    +0.171 HD
BRANCH  20  22
ATOM     22  S   LIG    1       -2.646  -0.204  -0.147  0.00  0.00    +0.045 S 
ATOM     23  O   LIG    1       -2.514  -1.092   0.990  0.00  0.00    -0.157 OA
ATOM     24  O   LIG    1       -2.327   1.202  -0.057  0.00  0.00    -0.157 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -4.263  -0.412  -0.885  0.00  0.00    +0.190 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.411  -0.104   0.086  0.00  0.00    +0.016 C 
ATOM     27  C   LIG    1       -5.531   1.394   0.405  0.00  0.00    +0.033 C 
ATOM     28  C   LIG    1       -6.783   1.684   1.224  0.00  0.00    +0.160 C 
ATOM     29  O   LIG    1       -7.946   1.202   0.554  0.00  0.00    -0.380 OA
ATOM     30  C   LIG    1       -7.915  -0.212   0.379  0.00  0.00    +0.160 C 
ATOM     31  C   LIG    1       -6.738  -0.611  -0.501  0.00  0.00    +0.033 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 6