REMARK  Name = BDB023298
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.644   1.570  -1.869  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.258   2.504  -1.884  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.100   0.450  -1.482  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -0.397  -0.660  -1.370  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.492   0.753  -1.206  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        2.275  -0.260  -0.710  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        3.528   0.234  -0.523  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        3.575   1.567  -0.895  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        4.800   2.232  -0.770  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.918   1.550  -0.280  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.840   0.201   0.100  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        4.913   3.521  -1.118  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.619  -0.483  -0.032  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        2.266   1.897  -1.335  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.985  -0.474   0.580  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        8.131   0.104   1.224  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        8.496  -1.318   1.660  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        7.019  -1.642   1.415  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.247   1.525  -2.291  0.00  0.00    +0.075 S 
ATOM     20  O   LIG    1       -2.627   2.904  -2.520  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.416   0.546  -3.342  0.00  0.00    -0.150 OA
BRANCH  19  26
ATOM     22  C   LIG    1       -4.291   2.093   2.638  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1       -3.988   1.271   1.410  0.00  0.00    -0.045 A 
ATOM     24  C   LIG    1       -3.260   1.796   0.318  0.00  0.00    -0.021 A 
ATOM     25  C   LIG    1       -2.770   3.221   0.352  0.00  0.00    +0.046 C 
ATOM     26  C   LIG    1       -3.062   0.961  -0.802  0.00  0.00    +0.112 A 
ATOM     27  C   LIG    1       -3.540  -0.362  -0.810  0.00  0.00    +0.033 A 
ATOM     28  C   LIG    1       -4.228  -0.908   0.285  0.00  0.00    -0.040 A 
ATOM     29  C   LIG    1       -4.443  -0.065   1.383  0.00  0.00    +0.008 A 
BRANCH  28  30
ATOM     30  C   LIG    1       -4.711  -2.369   0.242  0.00  0.00    -0.013 C 
ATOM     31  C   LIG    1       -5.691  -2.558  -0.936  0.00  0.00    +0.015 C 
ATOM     32  C   LIG    1       -3.501  -3.310   0.053  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1       -5.444  -2.824   1.524  0.00  0.00    +0.015 C 
ENDBRANCH  28  30
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 5