REMARK  Name = BDB058863
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.273   0.239  -2.107  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1        0.704   0.987  -1.685  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   3
ATOM      3  N   LIG    1        2.718   0.314  -1.605  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        3.341  -0.416  -1.956  0.00  0.00    +0.171 HD
ATOM      5  C   LIG    1        2.871   0.783  -0.311  0.00  0.00    +0.262 C 
ATOM      6  O   LIG    1        1.962   1.377   0.269  0.00  0.00    -0.269 OA
BRANCH   5   7
ATOM      7  C   LIG    1        4.171   0.535   0.366  0.00  0.00    +0.073 A 
ATOM      8  C   LIG    1        5.201  -0.201  -0.223  0.00  0.00    +0.136 A 
ATOM      9  F   LIG    1        5.059  -0.731  -1.447  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        6.406  -0.412   0.446  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        6.593   0.116   1.723  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        5.574   0.852   2.326  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.367   1.061   1.652  0.00  0.00    +0.016 A 
ENDBRANCH   5   7
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  S   LIG    1        0.524  -1.293  -1.886  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1        1.311  -2.049  -0.933  0.00  0.00    -0.152 OA
ATOM     16  O   LIG    1        0.227  -1.824  -3.200  0.00  0.00    -0.152 OA
BRANCH  14  20
ATOM     17  C   LIG    1       -3.400  -0.114   0.148  0.00  0.00    -0.045 A 
ATOM     18  C   LIG    1       -2.197  -0.144   0.872  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1       -1.000  -0.506   0.252  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1       -1.000  -0.832  -1.106  0.00  0.00    +0.107 A 
ATOM     21  C   LIG    1       -2.185  -0.818  -1.842  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1       -3.379  -0.457  -1.214  0.00  0.00    +0.006 A 
BRANCH  17  24
ATOM     23  C   LIG    1       -5.296   1.547   0.239  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1       -4.689   0.281   0.849  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1       -5.703  -0.866   0.849  0.00  0.00    +0.012 C 
ENDBRANCH  17  24
ENDBRANCH  14  20
ENDBRANCH   1  14
TORSDOF 5