REMARK  Name = BDB002208
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.577  -0.982   0.986  0.00  0.00    +0.187 A 
ATOM      2  S   LIG    1        0.447  -1.091   2.295  0.00  0.00    -0.024 S 
ATOM      3  C   LIG    1       -0.809  -0.988   1.140  0.00  0.00    +0.160 A 
ATOM      4  N   LIG    1       -0.396  -0.892  -0.101  0.00  0.00    -0.133 NA
ATOM      5  N   LIG    1        0.981  -0.889  -0.186  0.00  0.00    -0.125 NA
ENDROOT
BRANCH   1   6
ATOM      6  N   LIG    1        2.902  -1.013   1.269  0.00  0.00    -0.292 N 
ATOM      7  H   LIG    1        3.143  -1.102   2.246  0.00  0.00    +0.154 HD
BRANCH   6  10
ATOM      8  C   LIG    1        5.574  -1.492   2.329  0.00  0.00    +0.045 C 
ATOM      9  C   LIG    1        5.320  -1.080   0.902  0.00  0.00    -0.029 A 
ATOM     10  C   LIG    1        4.011  -0.843   0.411  0.00  0.00    +0.036 A 
ATOM     11  C   LIG    1        3.876  -0.489  -0.941  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1        4.987  -0.347  -1.778  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        6.265  -0.563  -1.282  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        6.431  -0.930   0.050  0.00  0.00    +0.005 A 
ENDBRANCH   6  10
ENDBRANCH   1   6
BRANCH   3  15
ATOM     15  S   LIG    1       -2.498  -1.009   1.588  0.00  0.00    -0.094 S 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.313  -0.723  -0.015  0.00  0.00    +0.108 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.220   0.711  -0.576  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1       -3.922   0.714  -1.835  0.00  0.00    -0.376 OA
ATOM     19  C   LIG    1       -5.059   1.569  -1.921  0.00  0.00    +0.160 C 
ATOM     20  C   LIG    1       -5.962   1.422  -0.707  0.00  0.00    +0.028 C 
ATOM     21  C   LIG    1       -5.220   1.764   0.583  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -3.710   1.811   0.377  0.00  0.00    +0.032 C 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 5