REMARK  Name = BDB003581
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.653  -0.250   0.750  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        2.315  -1.595   0.512  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        1.101  -1.940  -0.105  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1        0.203  -0.936  -0.466  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1        0.531   0.408  -0.251  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        1.743   0.744   0.355  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.122   2.108   4.434  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        5.133   1.236   3.213  0.00  0.00    -0.050 A 
ATOM      9  C   LIG    1        3.933   0.900   2.569  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        3.921   0.105   1.408  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1        5.151  -0.338   0.898  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        6.351   0.005   1.522  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        6.342   0.792   2.672  0.00  0.00    +0.003 A 
ENDBRANCH   1  10
BRANCH   3  14
ATOM     14  S   LIG    1        0.692  -3.658  -0.282  0.00  0.00    -0.005 S 
ATOM     15  O   LIG    1        1.752  -4.407   0.371  0.00  0.00    -0.170 OA
ATOM     16  O   LIG    1       -0.677  -3.831   0.164  0.00  0.00    -0.170 OA
ATOM     17  C   LIG    1        0.807  -4.025  -2.011  0.00  0.00    +0.200 C 
ENDBRANCH   3  14
BRANCH   4  18
ATOM     18  C   LIG    1       -1.067  -1.212  -1.154  0.00  0.00    +0.248 C 
ATOM     19  N   LIG    1       -2.257  -1.073  -0.446  0.00  0.00    -0.300 N 
ATOM     20  C   LIG    1       -2.317  -0.874   0.997  0.00  0.00    +0.132 C 
ATOM     21  O   LIG    1       -0.986  -1.487  -2.348  0.00  0.00    -0.270 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.522  -1.198  -1.172  0.00  0.00    +0.111 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.149   0.126  -1.663  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -4.689   1.020  -0.529  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -3.923   2.332  -0.386  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -3.912   3.139  -1.684  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1       -3.819   2.275  -2.941  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -3.245   0.894  -2.643  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   4  18
TORSDOF 5