REMARK  Name = BDB051435
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.126   0.584   0.984  0.00  0.00    +0.137 A 
ATOM      2  S   LIG    1        0.799   0.255   2.389  0.00  0.00    -0.061 S 
ATOM      3  C   LIG    1        2.096  -0.304   1.406  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        1.726  -0.192   0.065  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1        2.639  -0.592  -0.932  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        3.894  -1.094  -0.562  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        4.241  -1.198   0.786  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        3.350  -0.805   1.792  0.00  0.00    +0.018 A 
ATOM      9  N   LIG    1        0.460   0.318  -0.159  0.00  0.00    -0.233 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        4.823  -1.503  -1.575  0.00  0.00    +0.099 C 
ATOM     11  N   LIG    1        5.577  -1.835  -2.392  0.00  0.00    -0.191 NA
ENDBRANCH   6  10
BRANCH   1  12
ATOM     12  S   LIG    1       -1.730   1.262   1.092  0.00  0.00    -0.081 S 
BRANCH  12  14
ATOM     13  C   LIG    1       -2.471  -0.723  -0.771  0.00  0.00    +0.034 C 
ATOM     14  C   LIG    1       -2.554   0.784  -0.489  0.00  0.00    +0.114 C 
ATOM     15  C   LIG    1       -1.989   1.583  -1.673  0.00  0.00    +0.034 C 
BRANCH  14  16
ATOM     16  C   LIG    1       -4.028   1.181  -0.318  0.00  0.00    +0.321 C 
ATOM     17  O   LIG    1       -4.572   2.186  -0.753  0.00  0.00    -0.249 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -4.750   0.318   0.430  0.00  0.00    -0.480 OA
ATOM     19  H   LIG    1       -5.636   0.736   0.482  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   1  12
TORSDOF 5