REMARK  Name = BDB023372
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.954  -1.955  -1.083  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.280  -2.486  -1.619  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.611  -0.844  -0.306  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.453  -0.141   0.232  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.818  -0.603  -0.245  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.243   0.533   0.399  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.600   0.562   0.341  0.00  0.00    +0.139 A 
ATOM      8  C   LIG    1        3.072  -0.548  -0.339  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        4.457  -0.674  -0.494  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        5.309   0.301   0.034  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1        4.814   1.419   0.733  0.00  0.00    -0.038 A 
ATOM     12  F   LIG    1        4.976  -1.723  -1.149  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.419   1.554   0.880  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1        1.924  -1.295  -0.713  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  C   LIG    1        5.754   2.465   1.287  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1        5.702   2.825   2.754  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1        6.873   2.059   2.218  0.00  0.00    +0.009 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  18
ATOM     18  S   LIG    1       -2.490  -2.587  -1.165  0.00  0.00    +0.078 S 
ATOM     19  O   LIG    1       -2.405  -3.619  -2.179  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1       -2.887  -2.906   0.186  0.00  0.00    -0.150 OA
BRANCH  18  22
ATOM     21  C   LIG    1       -4.581  -0.750  -1.235  0.00  0.00    +0.147 A 
ATOM     22  C   LIG    1       -3.446  -1.271  -1.861  0.00  0.00    +0.153 A 
ATOM     23  C   LIG    1       -3.020  -0.750  -3.093  0.00  0.00    +0.070 A 
ATOM     24  C   LIG    1       -3.731   0.289  -3.678  0.00  0.00    +0.125 A 
ATOM     25  F   LIG    1       -3.320   0.787  -4.850  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1       -4.866   0.811  -3.071  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1       -5.299   0.283  -1.853  0.00  0.00    +0.050 A 
BRANCH  21  28
ATOM     28  O   LIG    1       -5.060  -1.292  -0.077  0.00  0.00    -0.490 OA
BRANCH  28  30
ATOM     29  C   LIG    1       -5.161  -1.136   2.308  0.00  0.00    +0.048 C 
ATOM     30  C   LIG    1       -5.024  -0.359   1.011  0.00  0.00    +0.226 C 
ENDBRANCH  28  30
ENDBRANCH  21  28
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 6