REMARK  Name = BDB007932
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.048  -1.631  -1.843  0.00  0.00    -0.036 A 
ATOM      2  C   LIG    1        0.935  -0.568  -1.612  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        2.315  -0.749  -1.746  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1        2.813  -1.995  -2.134  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1        1.941  -3.059  -2.363  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.565  -2.880  -2.213  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -1.440  -1.432  -1.676  0.00  0.00    +0.155 C 
BRANCH   7   9
ATOM      8  O   LIG    1       -1.207  -1.550   0.758  0.00  0.00    -0.250 OA
ATOM      9  C   LIG    1       -1.911  -1.455  -0.238  0.00  0.00    +0.311 C 
BRANCH   9  10
ATOM     10  O   LIG    1       -3.272  -1.340  -0.214  0.00  0.00    -0.464 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -3.841  -1.305   1.105  0.00  0.00    +0.237 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.356  -1.115   0.996  0.00  0.00    +0.077 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -5.744   0.297   0.595  0.00  0.00    -0.033 A 
ATOM     14  C   LIG    1       -6.063   1.299   1.542  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1       -6.402   2.587   1.083  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -6.418   2.885  -0.279  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -6.098   1.901  -1.207  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -5.764   0.619  -0.774  0.00  0.00    +0.004 A 
BRANCH  14  19
ATOM     19  C   LIG    1       -6.075   1.027   3.032  0.00  0.00    +0.418 C 
ATOM     20  F   LIG    1       -7.082   0.186   3.399  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1       -4.924   0.448   3.474  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1       -6.235   2.148   3.792  0.00  0.00    -0.166 F 
ENDBRANCH  14  19
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   3  23
ATOM     23  S   LIG    1        3.424   0.608  -1.431  0.00  0.00    -0.120 S 
BRANCH  23  24
ATOM     24  C   LIG    1        4.086   0.056   0.176  0.00  0.00    +0.110 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.310   0.850   0.569  0.00  0.00    -0.023 A 
ATOM     26  C   LIG    1        6.619   0.369   0.386  0.00  0.00    +0.063 A 
ATOM     27  C   LIG    1        7.729   1.157   0.734  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1        7.541   2.424   1.283  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        6.251   2.909   1.481  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.146   2.133   1.124  0.00  0.00    +0.005 A 
BRANCH  26  31
ATOM     31  C   LIG    1        6.875  -0.979  -0.172  0.00  0.00    +0.337 C 
ATOM     32  O   LIG    1        6.450  -1.374  -1.241  0.00  0.00    -0.245 OA
BRANCH  31  33
ATOM     33  O   LIG    1        7.605  -1.736   0.676  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1        7.785  -1.313   1.538  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  26  31
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 12