REMARK  Name = BDB029862
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.772  -0.592  -0.963  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.367  -0.113  -1.584  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.450   0.876  -1.837  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.768  -1.656  -0.345  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.374   0.458  -0.469  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -3.170  -0.260  -0.420  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -2.011   0.224  -1.052  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -2.065   1.438  -1.736  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -0.970   1.924  -2.342  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -3.256   2.160  -1.793  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -3.327   3.658  -2.640  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -4.404   1.675  -1.166  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -7.682  -2.149   2.163  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1       -7.040  -1.162   1.333  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1       -5.725  -1.147   0.960  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1       -5.587  -0.020   0.176  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1       -6.794   0.637   0.075  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1       -7.646  -0.074   0.780  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        1.683  -0.785  -1.168  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        1.480  -1.629  -0.607  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        2.716   0.244  -0.270  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        2.456   1.595  -0.720  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        2.577  -0.146   1.115  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.306  -0.299  -0.878  0.00  0.00    +0.191 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.452   0.536  -0.323  0.00  0.00    +0.027 C 
ATOM     26  C   LIG    1        5.647   0.413   1.183  0.00  0.00    +0.086 C 
ATOM     27  N   LIG    1        7.031   0.849   1.346  0.00  0.00    -0.316 NA
ATOM     28  H   LIG    1        7.393   0.586   2.261  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1        7.782   0.200   0.276  0.00  0.00    +0.081 C 
ATOM     30  C   LIG    1        6.811   0.119  -0.896  0.00  0.00    +0.021 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6