REMARK  Name = BDB030228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.457   0.474   0.615  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -0.624   0.641  -0.233  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.563   0.344  -1.211  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.319   0.464   1.837  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        4.203  -0.012   0.349  0.00  0.00    -0.020 A 
ATOM      6  C   LIG    1        2.906   0.158   0.861  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1        1.800   0.290   0.004  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        2.000   0.240  -1.376  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        0.957   0.354  -2.215  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        3.281   0.059  -1.896  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        3.528  -0.011  -3.599  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        4.376  -0.071  -1.042  0.00  0.00    +0.028 A 
BRANCH   5  13
ATOM     13  C   LIG    1        5.376  -0.179   1.284  0.00  0.00    +0.194 C 
BRANCH  13  15
ATOM     14  C   LIG    1        7.624   0.431   1.625  0.00  0.00    +0.194 C 
ATOM     15  O   LIG    1        6.487   0.561   0.782  0.00  0.00    -0.378 OA
ENDBRANCH  13  15
ENDBRANCH   5  13
ENDBRANCH   1   7
BRANCH   2  16
ATOM     16  N   LIG    1       -2.007   0.456   0.417  0.00  0.00    -0.108 NA
ATOM     17  H   LIG    1       -1.907   0.459   1.445  0.00  0.00    +0.172 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -2.785  -1.004  -0.032  0.00  0.00    +0.074 S 
ATOM     19  O   LIG    1       -2.232  -1.423  -1.304  0.00  0.00    -0.152 OA
ATOM     20  O   LIG    1       -2.771  -1.864   1.130  0.00  0.00    -0.152 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -4.441  -0.441  -0.304  0.00  0.00    +0.110 A 
ATOM     22  C   LIG    1       -5.434  -0.723   0.640  0.00  0.00    +0.074 A 
ATOM     23  C   LIG    1       -6.730  -0.286   0.395  0.00  0.00    +0.119 A 
ATOM     24  C   LIG    1       -7.043   0.415  -0.767  0.00  0.00    +0.045 A 
ATOM     25  C   LIG    1       -6.048   0.684  -1.709  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.742   0.252  -1.482  0.00  0.00    +0.029 A 
BRANCH  23  27
ATOM     27  O   LIG    1       -7.740  -0.529   1.278  0.00  0.00    -0.507 OA
ATOM     28  H   LIG    1       -7.394  -1.048   2.022  0.00  0.00    +0.292 HD
ENDBRANCH  23  27
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   2  16
TORSDOF 7