REMARK  Name = BDB053906
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.127   3.233   1.690  0.00  0.00    +0.118 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.981   2.345   0.844  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -0.776   1.863  -0.439  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        0.384   2.103  -1.338  0.00  0.00    +0.066 C 
ATOM      5  N   LIG    1       -1.789   1.047  -0.918  0.00  0.00    -0.244 NA
ATOM      6  C   LIG    1       -2.755   0.907  -0.031  0.00  0.00    +0.109 A 
ATOM      7  S   LIG    1       -2.494   1.780   1.428  0.00  0.00    -0.071 S 
BRANCH   6   8
ATOM      8  C   LIG    1       -3.961   0.081  -0.257  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1       -4.085  -0.614  -1.473  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -5.200  -1.414  -1.748  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -6.227  -1.547  -0.806  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -6.119  -0.852   0.406  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -5.000  -0.052   0.677  0.00  0.00    +0.011 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -7.443  -2.389  -1.104  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1       -7.187  -3.417  -1.961  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -7.982  -2.961   0.009  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1       -8.445  -1.667  -1.675  0.00  0.00    -0.166 F 
ENDBRANCH  11  14
ENDBRANCH   6   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  S   LIG    1        0.769   2.321   2.996  0.00  0.00    -0.120 S 
BRANCH  18  23
ATOM     19  C   LIG    1        2.481  -0.668   0.820  0.00  0.00    -0.005 A 
ATOM     20  C   LIG    1        3.681  -0.082   0.374  0.00  0.00    +0.128 A 
ATOM     21  C   LIG    1        3.985   1.229   0.755  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        3.103   1.957   1.562  0.00  0.00    +0.018 A 
ATOM     23  C   LIG    1        1.906   1.389   1.992  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        1.605   0.076   1.631  0.00  0.00    +0.022 A 
BRANCH  19  26
ATOM     25  C   LIG    1        1.326  -2.087  -0.901  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1        2.081  -2.071   0.420  0.00  0.00    +0.035 C 
ENDBRANCH  19  26
BRANCH  20  27
ATOM     27  O   LIG    1        4.458  -0.873  -0.426  0.00  0.00    -0.450 OA
BRANCH  27  28
ATOM     28  C   LIG    1        5.727  -0.406  -0.848  0.00  0.00    +0.459 C 
ATOM     29  F   LIG    1        6.091  -1.222  -1.888  0.00  0.00    -0.188 F 
BRANCH  28  30
ATOM     30  C   LIG    1        6.793  -0.438   0.253  0.00  0.00    +0.379 C 
ATOM     31  O   LIG    1        7.273   0.537   0.817  0.00  0.00    -0.244 OA
BRANCH  30  32
ATOM     32  O   LIG    1        7.188  -1.682   0.607  0.00  0.00    -0.476 OA
ATOM     33  H   LIG    1        7.843  -1.546   1.322  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  20  27
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 10