REMARK  Name = BDB030207
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.152  -3.022   1.197  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1        0.252  -3.698   0.437  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        0.992  -1.940   1.371  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        0.721  -1.035   2.159  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.236  -1.888   0.559  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        2.567  -2.868  -0.375  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        1.749  -3.913  -0.581  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        3.748  -2.768  -1.109  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        4.161  -3.978  -2.263  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        4.610  -1.687  -0.917  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1        4.303  -0.682   0.015  0.00  0.00    -0.016 A 
ATOM     12  C   LIG    1        3.107  -0.801   0.747  0.00  0.00    +0.024 A 
BRANCH  11  13
ATOM     13  C   LIG    1        5.208   0.462   0.221  0.00  0.00    -0.018 A 
ATOM     14  C   LIG    1        5.654   1.237  -0.865  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        6.522   2.324  -0.682  0.00  0.00    -0.050 A 
ATOM     16  C   LIG    1        6.954   3.156  -1.853  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1        6.933   2.656   0.612  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        6.502   1.902   1.701  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        5.649   0.813   1.506  0.00  0.00    +0.008 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  N   LIG    1       -1.172  -3.002   1.907  0.00  0.00    -0.112 NA
ATOM     21  H   LIG    1       -1.165  -2.521   2.815  0.00  0.00    +0.171 HD
BRANCH  20  22
ATOM     22  S   LIG    1       -2.538  -2.605   0.970  0.00  0.00    +0.045 S 
ATOM     23  O   LIG    1       -3.687  -2.850   1.811  0.00  0.00    -0.157 OA
ATOM     24  O   LIG    1       -2.364  -3.256  -0.311  0.00  0.00    -0.157 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -2.322  -0.840   0.772  0.00  0.00    +0.191 C 
BRANCH  25  28
ATOM     26  N   LIG    1       -5.835   0.573  -0.105  0.00  0.00    -0.302 NA
ATOM     27  C   LIG    1       -4.819  -0.228   0.597  0.00  0.00    +0.089 C 
ATOM     28  C   LIG    1       -3.413  -0.106  -0.020  0.00  0.00    +0.026 C 
ATOM     29  C   LIG    1       -3.455  -0.492  -1.504  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1       -4.524   0.316  -2.238  0.00  0.00    +0.016 C 
ATOM     31  C   LIG    1       -5.879   0.214  -1.532  0.00  0.00    +0.084 C 
BRANCH  26  33
ATOM     32  C   LIG    1       -5.941   2.452   1.541  0.00  0.00    +0.020 C 
ATOM     33  C   LIG    1       -5.728   2.025   0.092  0.00  0.00    +0.081 C 
ENDBRANCH  26  33
ENDBRANCH  25  28
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7