REMARK  Name = BDB023170
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.014  -1.427  -0.085  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1        0.986  -0.547  -0.582  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.170  -1.992   0.416  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -0.223  -3.130   0.857  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.306  -1.090   0.353  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -2.520  -1.568   0.783  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -3.436  -0.575   0.639  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1       -2.834   0.557   0.118  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -3.639   1.683  -0.090  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1       -5.001   1.635   0.221  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -5.590   0.470   0.737  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1       -3.113   2.812  -0.585  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -4.790  -0.664   0.964  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -1.466   0.224  -0.063  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1       -6.965   0.446   1.058  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1       -7.816  -0.709   1.145  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1       -8.998   0.266   1.110  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -8.007   1.253   0.486  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1        2.381  -2.349  -0.315  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1        2.885  -2.717   0.990  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        2.132  -3.325  -1.351  0.00  0.00    -0.150 OA
BRANCH  19  24
ATOM     22  C   LIG    1        5.729  -0.136  -0.861  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1        4.772  -1.020  -0.357  0.00  0.00    +0.076 A 
ATOM     24  C   LIG    1        3.535  -1.183  -1.000  0.00  0.00    +0.130 A 
ATOM     25  C   LIG    1        3.252  -0.456  -2.157  0.00  0.00    +0.068 A 
ATOM     26 CL   LIG    1        1.752  -0.538  -3.006  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1        4.213   0.428  -2.659  0.00  0.00    +0.025 A 
ATOM     28  C   LIG    1        5.446   0.588  -2.017  0.00  0.00    +0.047 A 
BRANCH  22  29
ATOM     29  O   LIG    1        6.885  -0.079  -0.136  0.00  0.00    -0.466 OA
BRANCH  29  30
ATOM     30  C   LIG    1        7.906   0.804  -0.593  0.00  0.00    +0.394 C 
BRANCH  30  32
ATOM     31  C   LIG    1        8.815   1.197   1.550  0.00  0.00    +0.198 C 
ATOM     32  O   LIG    1        9.068   0.730   0.233  0.00  0.00    -0.347 OA
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  22  29
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 7