REMARK  Name = BDB023209
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.107  -0.300  -0.151  0.00  0.00    -0.420 OA
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1       -4.719   0.401   0.152  0.00  0.00    +0.116 A 
ATOM      3  C   LIG    1       -5.241  -0.898   0.420  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -4.322  -1.979   0.479  0.00  0.00    -0.013 A 
ATOM      5  C   LIG    1       -4.777  -3.281   0.746  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -6.128  -3.542   0.957  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -7.045  -2.502   0.903  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.954  -1.754   0.274  0.00  0.00    +0.055 A 
ATOM      9  C   LIG    1       -2.487  -0.474  -0.002  0.00  0.00    +0.135 A 
ATOM     10  C   LIG    1       -6.610  -1.201   0.640  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -3.349   0.613  -0.046  0.00  0.00    +0.075 A 
BRANCH   2  12
ATOM     12  S   LIG    1       -5.815   1.790   0.067  0.00  0.00    +0.057 S 
ATOM     13  O   LIG    1       -6.703   1.616  -1.059  0.00  0.00    -0.153 OA
ATOM     14  O   LIG    1       -6.289   2.082   1.399  0.00  0.00    -0.153 OA
BRANCH  12  15
ATOM     15  N   LIG    1       -4.848   3.105  -0.347  0.00  0.00    -0.203 NA
ATOM     16  H   LIG    1       -5.142   3.458  -1.260  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -4.898   3.803   0.396  0.00  0.00    +0.144 HD
ENDBRANCH  12  15
ENDBRANCH   2  12
ENDBRANCH   1   9
BRANCH   1  18
ATOM     18  C   LIG    1       -0.692   0.068  -1.429  0.00  0.00    +0.380 C 
ATOM     19  O   LIG    1       -1.427   0.247  -2.394  0.00  0.00    -0.241 OA
BRANCH  18  20
ATOM     20  C   LIG    1        0.746   0.210  -1.453  0.00  0.00    +0.213 A 
ATOM     21  O   LIG    1        1.478  -0.008  -0.314  0.00  0.00    -0.448 OA
ATOM     22  C   LIG    1        2.787   0.195  -0.626  0.00  0.00    +0.140 A 
ATOM     23  C   LIG    1        2.914   0.544  -1.962  0.00  0.00    +0.056 A 
ATOM     24  C   LIG    1        4.204   0.784  -2.450  0.00  0.00    +0.136 A 
ATOM     25  C   LIG    1        5.305   0.673  -1.596  0.00  0.00    +0.062 A 
ATOM     26  C   LIG    1        5.149   0.330  -0.244  0.00  0.00    +0.036 A 
ATOM     27  F   LIG    1        4.396   1.119  -3.733  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        3.860   0.073   0.257  0.00  0.00    +0.070 A 
ATOM     29  C   LIG    1        1.597   0.552  -2.489  0.00  0.00    +0.068 A 
BRANCH  26  30
ATOM     30  N   LIG    1        6.276   0.211   0.599  0.00  0.00    -0.330 N 
ATOM     31  C   LIG    1        7.550   0.857   0.445  0.00  0.00    +0.106 C 
ATOM     32  C   LIG    1        7.830   0.461   1.898  0.00  0.00    +0.038 C 
ATOM     33  C   LIG    1        6.309   0.337   2.029  0.00  0.00    +0.106 C 
ENDBRANCH  26  30
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6