REMARK  Name = BDB059289
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.928   1.853  -2.746  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        1.313   1.472  -1.753  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        1.900   0.689  -0.777  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        1.355   0.196  -0.072  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.104   1.862  -1.539  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -1.012   1.045  -0.854  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -2.339   1.452  -0.678  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1       -2.752   2.685  -1.185  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -1.854   3.497  -1.883  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -0.535   3.084  -2.066  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  O   LIG    1       -3.114   0.561   0.009  0.00  0.00    -0.489 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -4.524   0.793   0.077  0.00  0.00    +0.173 C 
ATOM     13  C   LIG    1       -5.202  -0.537   0.405  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -5.005  -0.717   1.909  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1       -4.764   0.680   2.477  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -4.880   1.641   1.295  0.00  0.00    +0.044 C 
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1        3.220   0.011  -1.163  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        3.541   0.358  -2.084  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        3.116  -1.697  -1.240  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1        3.118  -2.092  -2.629  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        2.033  -2.073  -0.347  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.630  -2.202  -0.509  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1        5.822  -1.766  -1.071  0.00  0.00    +0.150 A 
ATOM     24  F   LIG    1        5.830  -0.959  -2.141  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1        7.040  -2.150  -0.515  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        7.059  -2.975   0.612  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        5.860  -3.413   1.179  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        4.639  -3.029   0.619  0.00  0.00    +0.031 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 6