REMARK  Name = BDB032666
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.964   0.073   0.357  0.00  0.00    +0.173 A 
ATOM      2  O   LIG    1        2.085   1.099   0.538  0.00  0.00    -0.353 OA
ATOM      3  N   LIG    1        1.243   1.187  -0.557  0.00  0.00    -0.061 NA
ATOM      4  C   LIG    1        1.628   0.222  -1.391  0.00  0.00    +0.181 A 
ATOM      5  C   LIG    1        2.695  -0.525  -0.852  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1        4.556   0.849   2.147  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1        3.907  -0.187   1.440  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1        4.181  -1.523   1.785  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        5.068  -1.831   2.817  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        5.697  -0.806   3.514  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        5.445   0.527   3.181  0.00  0.00    +0.046 A 
BRANCH   6  13
ATOM     12  C   LIG    1        4.811   3.199   2.523  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1        4.294   2.132   1.740  0.00  0.00    -0.494 OA
ENDBRANCH   6  13
ENDBRANCH   1   7
BRANCH   4  14
ATOM     14  N   LIG    1        1.025  -0.054  -2.606  0.00  0.00    -0.201 N 
ATOM     15  H   LIG    1        1.328  -0.847  -3.164  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  S   LIG    1       -0.080   0.925  -3.363  0.00  0.00    +0.044 S 
ATOM     17  O   LIG    1       -0.467   0.196  -4.555  0.00  0.00    -0.155 OA
ATOM     18  O   LIG    1        0.468   2.258  -3.479  0.00  0.00    -0.155 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -1.501   0.963  -2.264  0.00  0.00    +0.189 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.018  -0.429  -1.913  0.00  0.00    +0.028 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.209  -0.395  -0.938  0.00  0.00    -0.009 C 
ATOM     22  C   LIG    1       -3.602  -1.815  -0.514  0.00  0.00    +0.003 C 
ATOM     23  C   LIG    1       -4.691  -1.812   0.562  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -5.621  -0.602   0.488  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -5.766  -0.090  -0.937  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -4.424   0.348  -1.529  0.00  0.00    +0.003 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH  14  16
ENDBRANCH   4  14
TORSDOF 7