REMARK  Name = BDB032571
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.824  -1.505  -1.719  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1       -0.637  -2.481  -1.514  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        1.837   0.433  -0.392  0.00  0.00    +0.173 A 
ATOM      4  O   LIG    1        0.908   1.382  -0.714  0.00  0.00    -0.353 OA
ATOM      5  N   LIG    1       -0.210   0.781  -1.257  0.00  0.00    -0.061 NA
ATOM      6  C   LIG    1        0.046  -0.527  -1.265  0.00  0.00    +0.181 A 
ATOM      7  C   LIG    1        1.321  -0.798  -0.728  0.00  0.00    +0.098 A 
BRANCH   3   9
ATOM      8  C   LIG    1        4.282   0.171   0.171  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1        3.084   0.923   0.199  0.00  0.00    +0.063 A 
ATOM     10  C   LIG    1        3.096   2.187   0.822  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1        4.258   2.686   1.404  0.00  0.00    +0.042 A 
ATOM     12 CL   LIG    1        4.243   4.230   2.163  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        5.430   1.941   1.381  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1        5.442   0.687   0.767  0.00  0.00    +0.048 A 
BRANCH   8  16
ATOM     15  C   LIG    1        5.463  -1.740  -0.662  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        4.236  -1.051  -0.453  0.00  0.00    -0.494 OA
ENDBRANCH   8  16
ENDBRANCH   3   9
ENDBRANCH   1   6
BRANCH   1  17
ATOM     17  S   LIG    1       -2.416  -1.218  -2.155  0.00  0.00    +0.081 S 
ATOM     18  O   LIG    1       -2.391  -0.314  -3.285  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1       -3.026  -2.530  -2.287  0.00  0.00    -0.150 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -3.143  -0.457  -0.733  0.00  0.00    +0.191 A 
ATOM     21  C   LIG    1       -3.892   0.718  -0.833  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1       -4.444   1.299   0.316  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1       -4.226   0.729   1.569  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -3.487  -0.446   1.675  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1       -2.973  -1.056   0.525  0.00  0.00    +0.150 A 
BRANCH  21  26
ATOM     26  O   LIG    1       -4.214   1.269  -2.042  0.00  0.00    -0.493 OA
ATOM     27  C   LIG    1       -3.492   2.481  -2.269  0.00  0.00    +0.277 C 
ENDBRANCH  21  26
BRANCH  25  28
ATOM     28  O   LIG    1       -2.255  -2.218   0.663  0.00  0.00    -0.493 OA
ATOM     29  C   LIG    1       -3.115  -3.310   1.002  0.00  0.00    +0.277 C 
ENDBRANCH  25  28
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 7