REMARK  Name = BDB029973
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.904   0.815   0.533  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1        1.744   0.444  -0.164  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        0.565   1.204  -0.067  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1        0.556   2.345   0.735  0.00  0.00    +0.154 A 
ATOM      5  F   LIG    1       -0.557   3.091   0.842  0.00  0.00    -0.203 F 
ATOM      6  C   LIG    1        1.702   2.724   1.431  0.00  0.00    +0.077 A 
ATOM      7 CL   LIG    1        1.691   4.134   2.421  0.00  0.00    -0.081 Cl
ATOM      8  C   LIG    1        2.869   1.966   1.333  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        6.347  -2.603  -0.533  0.00  0.00    +0.150 C 
ATOM     10  N   LIG    1        5.648  -1.456  -0.014  0.00  0.00    -0.339 N 
ATOM     11  C   LIG    1        4.344  -1.122  -0.254  0.00  0.00    +0.115 A 
ATOM     12  C   LIG    1        4.136   0.044   0.452  0.00  0.00    +0.089 A 
ATOM     13  N   LIG    1        5.290   0.413   1.109  0.00  0.00    -0.236 NA
ATOM     14  C   LIG    1        6.178  -0.507   0.809  0.00  0.00    +0.199 A 
ENDBRANCH   1  12
BRANCH   3  15
ATOM     15  C   LIG    1       -0.626   0.749  -0.833  0.00  0.00    +0.260 C 
ATOM     16  N   LIG    1       -1.803   1.474  -0.697  0.00  0.00    -0.247 N 
ATOM     17  H   LIG    1       -1.810   2.367  -0.200  0.00  0.00    +0.169 HD
ATOM     18  O   LIG    1       -0.555  -0.245  -1.555  0.00  0.00    -0.269 OA
BRANCH  16  19
ATOM     19  N   LIG    1       -2.904   1.157  -1.525  0.00  0.00    -0.236 NA
ATOM     20  H   LIG    1       -2.549   0.542  -2.273  0.00  0.00    +0.145 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.950   0.461  -0.769  0.00  0.00    +0.095 C 
ATOM     22  C   LIG    1       -3.577  -0.959  -0.338  0.00  0.00    +0.186 C 
ATOM     23  S   LIG    1       -5.141  -1.721   0.052  0.00  0.00    -0.029 S 
ATOM     24  O   LIG    1       -5.223  -2.997  -0.628  0.00  0.00    -0.174 OA
ATOM     25  O   LIG    1       -5.382  -1.587   1.474  0.00  0.00    -0.174 OA
ATOM     26  C   LIG    1       -6.171  -0.542  -0.809  0.00  0.00    +0.167 C 
ATOM     27  C   LIG    1       -5.209   0.303  -1.633  0.00  0.00    +0.044 C 
ENDBRANCH  19  21
ENDBRANCH  16  19
ENDBRANCH   3  15
TORSDOF 4