REMARK  Name = BDB003697
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.407   1.097  -0.700  0.00  0.00    +0.111 A 
ATOM      2  C   LIG    1        1.489   0.248  -0.862  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1        1.819  -0.768  -1.916  0.00  0.00    +0.135 C 
ATOM      4  C   LIG    1        3.142  -1.364  -1.413  0.00  0.00    +0.224 C 
ATOM      5  N   LIG    1        3.486  -0.673  -0.257  0.00  0.00    -0.269 N 
ATOM      6  C   LIG    1        4.602  -0.977   0.614  0.00  0.00    +0.128 C 
ATOM      7  C   LIG    1        5.131   0.254   1.366  0.00  0.00    +0.066 C 
ATOM      8  S   LIG    1        3.821   1.037   2.400  0.00  0.00    -0.119 S 
ATOM      9  C   LIG    1        2.502   1.076   1.212  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        1.407   1.927   1.373  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1        6.309  -0.117   2.260  0.00  0.00    +0.021 C 
ATOM     12  O   LIG    1        3.761  -2.278  -1.933  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        2.506   0.257   0.092  0.00  0.00    +0.055 A 
ATOM     14  C   LIG    1        0.368   1.944   0.422  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  15
ATOM     15  S   LIG    1       -0.933   1.171  -1.858  0.00  0.00    +0.061 S 
ATOM     16  O   LIG    1       -0.719   0.185  -2.896  0.00  0.00    -0.153 OA
ATOM     17  O   LIG    1       -1.128   2.568  -2.180  0.00  0.00    -0.153 OA
BRANCH  15  22
ATOM     18  C   LIG    1       -5.753  -0.952   1.037  0.00  0.00    +0.007 C 
ATOM     19  C   LIG    1       -4.675  -0.741  -0.023  0.00  0.00    -0.012 C 
ATOM     20  C   LIG    1       -4.701   0.699  -0.552  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1       -3.577   0.943  -1.557  0.00  0.00    +0.110 C 
ATOM     22  N   LIG    1       -2.264   0.638  -0.918  0.00  0.00    -0.177 NA
ATOM     23  C   LIG    1       -2.194  -0.790  -0.494  0.00  0.00    +0.110 C 
ATOM     24  C   LIG    1       -3.285  -1.066   0.538  0.00  0.00    +0.020 C 
ENDBRANCH  15  22
ENDBRANCH   1  15
TORSDOF 2