REMARK  Name = BDB001673
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.123  -0.505  -0.151  0.00  0.00    +0.136 A 
ATOM      2  C   LIG    1       -0.892   0.279  -1.004  0.00  0.00    +0.093 A 
ATOM      3  C   LIG    1       -2.276   0.242  -0.860  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1       -2.894  -0.562   0.099  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -4.345  -0.549   0.197  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -5.053   0.225  -0.630  0.00  0.00    +0.092 A 
ATOM      7  C   LIG    1       -4.423   1.077  -1.653  0.00  0.00    +0.337 A 
ATOM      8  O   LIG    1       -5.107   1.770  -2.397  0.00  0.00    -0.245 OA
ATOM      9  C   LIG    1       -2.103  -1.358   0.934  0.00  0.00    +0.015 A 
ATOM     10  O   LIG    1       -3.037   1.050  -1.728  0.00  0.00    -0.422 OA
ATOM     11  C   LIG    1       -0.712  -1.337   0.804  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1  12
ATOM     12  O   LIG    1        1.264  -0.509  -0.315  0.00  0.00    -0.422 OA
BRANCH  12  14
ATOM     13  O   LIG    1        1.416   0.921   1.513  0.00  0.00    -0.244 OA
ATOM     14  C   LIG    1        1.946   0.275   0.615  0.00  0.00    +0.351 C 
BRANCH  14  15
ATOM     15  C   LIG    1        3.383   0.230   0.384  0.00  0.00    +0.097 A 
ATOM     16  S   LIG    1        4.094  -0.692  -0.875  0.00  0.00    -0.090 S 
ATOM     17  C   LIG    1        5.673  -0.202  -0.443  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        5.671   0.648   0.639  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        4.352   0.897   1.115  0.00  0.00    +0.022 A 
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   1  12
TORSDOF 3