REMARK  Name = BDB003562
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.416   0.851   0.258  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1        2.086  -0.283   1.021  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        0.788  -0.817   0.999  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1       -0.201  -0.193   0.239  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1        0.113   0.932  -0.534  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        1.410   1.449  -0.518  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        4.901   0.661  -0.182  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1        3.784   1.401   0.274  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        3.994   2.705   0.763  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        5.271   3.264   0.802  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.361   2.529   0.353  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        6.179   1.234  -0.138  0.00  0.00    +0.046 A 
BRANCH   7  14
ATOM     13  C   LIG    1        5.739  -1.378  -1.109  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        4.637  -0.599  -0.663  0.00  0.00    -0.495 OA
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  S   LIG    1        0.433  -2.229   2.010  0.00  0.00    -0.005 S 
ATOM     16  O   LIG    1        1.584  -2.430   2.875  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1       -0.874  -2.037   2.607  0.00  0.00    -0.170 OA
ATOM     18  C   LIG    1        0.383  -3.606   0.895  0.00  0.00    +0.200 C 
ENDBRANCH   3  15
BRANCH   4  19
ATOM     19  C   LIG    1       -1.567  -0.721   0.126  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1       -2.592  -0.104   0.832  0.00  0.00    -0.300 N 
ATOM     21  C   LIG    1       -2.402   0.953   1.819  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1       -1.720  -1.667  -0.643  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.952  -0.623   0.679  0.00  0.00    +0.113 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.771   0.190  -0.317  0.00  0.00    +0.034 C 
ATOM     25  C   LIG    1       -4.336   0.035  -1.763  0.00  0.00    +0.165 C 
ATOM     26  O   LIG    1       -5.472   0.412  -2.561  0.00  0.00    -0.379 OA
ATOM     27  C   LIG    1       -6.642   0.364  -1.731  0.00  0.00    +0.160 C 
ATOM     28  C   LIG    1       -6.221  -0.239  -0.407  0.00  0.00    +0.035 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6