REMARK  Name = BDB030129
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.615  -0.592  -1.018  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.553  -1.244  -0.667  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.668  -1.656   0.263  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.657   0.184  -1.972  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.205  -0.397   0.163  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -3.022  -0.198  -0.564  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -1.829  -0.847  -0.200  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -1.828  -1.699   0.904  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -0.699  -2.324   1.276  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -2.998  -1.905   1.633  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -2.999  -2.960   2.996  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -4.179  -1.261   1.267  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -7.674   2.437  -1.982  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1       -6.977   1.507  -1.132  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1       -5.650   1.184  -1.200  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1       -5.453   0.263  -0.192  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1       -6.636   0.030   0.475  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1       -7.531   0.791  -0.113  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        1.838  -0.694  -1.297  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        1.599  -0.019  -2.043  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        2.879   0.063  -0.169  0.00  0.00    +0.047 S 
ATOM     22  O   LIG    1        2.707  -0.633   1.090  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        2.655   1.486  -0.288  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.462  -0.346  -0.866  0.00  0.00    +0.218 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.588   0.330  -0.110  0.00  0.00    +0.141 C 
ATOM     26  O   LIG    1        6.826   0.112  -0.822  0.00  0.00    -0.375 OA
ATOM     27  C   LIG    1        7.870  -0.130   0.134  0.00  0.00    +0.160 C 
ATOM     28  C   LIG    1        7.286   0.143   1.503  0.00  0.00    +0.031 C 
ATOM     29  C   LIG    1        5.830  -0.195   1.297  0.00  0.00    +0.035 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6