REMARK  Name = BDB028695
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.546   0.815   0.619  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        1.786   0.243   0.987  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        2.699   1.254   0.756  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        4.069   1.139   0.975  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        4.535  -0.098   1.467  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1        3.626  -1.141   1.724  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1        2.043   2.354   0.298  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        2.254  -0.988   1.468  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1        0.683   2.086   0.229  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -0.693   0.171   0.718  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.647  -0.619   1.366  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -1.315  -0.493  -0.715  0.00  0.00    +0.077 S 
ATOM     13  O   LIG    1       -1.409  -1.914  -0.424  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -0.584  -0.051  -1.882  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.202   1.510  -0.979  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1       -2.970   0.148  -0.773  0.00  0.00    +0.150 A 
ATOM     17  C   LIG    1       -4.041  -0.751  -0.621  0.00  0.00    +0.036 A 
ATOM     18  C   LIG    1       -5.378  -0.325  -0.662  0.00  0.00    -0.042 A 
ATOM     19  C   LIG    1       -5.588   1.048  -0.859  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -4.525   1.950  -1.016  0.00  0.00    +0.048 A 
BRANCH  18  21
ATOM     21  C   LIG    1       -6.498  -1.335  -0.494  0.00  0.00    +0.019 C 
ATOM     22  C   LIG    1       -7.656  -1.043   0.429  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1       -7.880  -1.108  -1.054  0.00  0.00    +0.009 C 
ENDBRANCH  18  21
BRANCH  15  25
ATOM     24  C   LIG    1       -2.329   3.716  -1.280  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -2.119   2.320  -1.131  0.00  0.00    -0.493 OA
ENDBRANCH  15  25
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  26
ATOM     26  O   LIG    1        1.369  -2.000   1.748  0.00  0.00    -0.494 OA
ATOM     27  C   LIG    1        1.500  -3.062   0.800  0.00  0.00    +0.277 C 
ENDBRANCH   8  26
BRANCH   5  28
ATOM     28  C   LIG    1        6.009  -0.293   1.747  0.00  0.00    +0.178 C 
BRANCH  28  29
ATOM     29  N   LIG    1        6.818  -0.123   0.546  0.00  0.00    -0.267 N 
ATOM     30  N   LIG    1        7.605   0.964   0.412  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        8.185   0.789  -0.778  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1        7.783  -0.406  -1.400  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1        6.905  -0.983  -0.514  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 8