REMARK  Name = BDB028761
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.148   0.978  -0.727  0.00  0.00    -0.112 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.717  -0.660  -0.121  0.00  0.00    +0.138 C 
ATOM      3  C   LIG    1       -2.306  -0.493   1.272  0.00  0.00    +0.233 C 
ATOM      4  O   LIG    1       -1.623  -0.543   2.295  0.00  0.00    -0.274 OA
ATOM      5  N   LIG    1       -3.658  -0.258   1.355  0.00  0.00    -0.255 N 
ATOM      6  H   LIG    1       -4.028  -0.143   2.288  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -4.591  -0.318   0.351  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1       -5.788  -0.195   0.595  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -4.070  -0.504  -1.052  0.00  0.00    +0.098 C 
ATOM     10  C   LIG    1       -2.757  -1.274  -1.059  0.00  0.00    +0.033 C 
ENDBRANCH   1   2
BRANCH   1  14
ATOM     11  C   LIG    1        3.385   0.578  -0.104  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        2.534   0.624   1.000  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        1.151   0.747   0.818  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        0.607   0.817  -0.467  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        1.461   0.785  -1.570  0.00  0.00    +0.018 A 
ATOM     16  C   LIG    1        2.841   0.662  -1.387  0.00  0.00    +0.047 A 
BRANCH  11  18
ATOM     17  C   LIG    1        5.350   0.384   1.219  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        4.747   0.459  -0.066  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   1  14
TORSDOF 3