REMARK  Name = BDB029803
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.835  -0.553  -0.241  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1        2.514  -0.092  -0.166  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        1.475  -0.782  -0.813  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1        1.775  -1.942  -1.528  0.00  0.00    +0.154 A 
ATOM      5  F   LIG    1        0.799  -2.625  -2.149  0.00  0.00    -0.203 F 
ATOM      6  C   LIG    1        3.088  -2.406  -1.601  0.00  0.00    +0.077 A 
ATOM      7 CL   LIG    1        3.458  -3.837  -2.486  0.00  0.00    -0.081 Cl
ATOM      8  C   LIG    1        4.119  -1.718  -0.962  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  11
ATOM      9  C   LIG    1        5.902  -1.616   2.070  0.00  0.00    +0.068 C 
ATOM     10  C   LIG    1        5.812  -0.281   1.427  0.00  0.00    +0.068 A 
ATOM     11  C   LIG    1        4.901   0.161   0.431  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1        5.248   1.479   0.184  0.00  0.00    +0.044 A 
ATOM     13  C   LIG    1        4.705   2.490  -0.761  0.00  0.00    +0.066 C 
ATOM     14  N   LIG    1        6.288   1.745   1.040  0.00  0.00    -0.271 N 
ATOM     15  C   LIG    1        6.998   2.994   1.198  0.00  0.00    +0.172 C 
ATOM     16  N   LIG    1        6.662   0.688   1.780  0.00  0.00    -0.176 NA
ENDBRANCH   1  11
BRANCH   3  17
ATOM     17  C   LIG    1        0.097  -0.236  -0.706  0.00  0.00    +0.262 C 
ATOM     18  N   LIG    1       -0.924  -0.927  -1.332  0.00  0.00    -0.228 N 
ATOM     19  H   LIG    1       -0.805  -1.906  -1.607  0.00  0.00    +0.171 HD
ATOM     20  O   LIG    1       -0.118   0.796  -0.073  0.00  0.00    -0.269 OA
BRANCH  18  21
ATOM     21  N   LIG    1       -2.346  -0.548  -0.897  0.00  0.00    -0.112 NA
ATOM     22  H   LIG    1       -2.316   0.310  -0.321  0.00  0.00    +0.171 HD
BRANCH  21  23
ATOM     23  S   LIG    1       -3.139  -1.783  -0.025  0.00  0.00    +0.045 S 
ATOM     24  O   LIG    1       -2.641  -3.042  -0.544  0.00  0.00    -0.157 OA
ATOM     25  O   LIG    1       -3.023  -1.457   1.377  0.00  0.00    -0.157 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -4.836  -1.578  -0.560  0.00  0.00    +0.190 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.415  -0.173  -0.369  0.00  0.00    +0.016 C 
ATOM     28  C   LIG    1       -6.772  -0.055  -1.074  0.00  0.00    +0.033 C 
ATOM     29  C   LIG    1       -7.345   1.356  -0.939  0.00  0.00    +0.160 C 
ATOM     30  O   LIG    1       -6.861   2.051   0.210  0.00  0.00    -0.380 OA
ATOM     31  C   LIG    1       -6.719   1.201   1.342  0.00  0.00    +0.160 C 
ATOM     32  C   LIG    1       -5.576   0.214   1.112  0.00  0.00    +0.033 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH   3  17
TORSDOF 6