REMARK  Name = BDB002694
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.308   1.015  -1.612  0.00  0.00    -0.243 OA
ATOM      2  C   LIG    1        0.043   0.412  -0.583  0.00  0.00    +0.358 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.339   0.118  -0.077  0.00  0.00    +0.148 A 
ATOM      4  N   LIG    1       -2.351   0.579  -0.859  0.00  0.00    -0.240 NA
ATOM      5  C   LIG    1       -3.616   0.353  -0.468  0.00  0.00    +0.072 A 
ATOM      6  C   LIG    1       -3.928  -0.344   0.719  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -5.269  -0.556   1.085  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -6.301  -0.080   0.279  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -5.999   0.606  -0.892  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.868  -0.808   1.506  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -4.664   0.815  -1.252  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -1.556  -0.577   1.107  0.00  0.00    +0.035 A 
ENDBRANCH   2   3
BRANCH   2  13
ATOM     13  O   LIG    1        0.974  -0.090   0.270  0.00  0.00    -0.452 OA
BRANCH  13  14
ATOM     14  C   LIG    1        2.321   0.149  -0.140  0.00  0.00    +0.312 C 
BRANCH  14  15
ATOM     15  C   LIG    1        3.313  -0.442   0.865  0.00  0.00    +0.207 C 
ATOM     16  O   LIG    1        2.913  -1.031   1.871  0.00  0.00    -0.288 OA
BRANCH  15  17
ATOM     17  C   LIG    1        4.729  -0.258   0.548  0.00  0.00    +0.059 A 
ATOM     18  S   LIG    1        5.918  -0.888   1.621  0.00  0.00    -0.074 S 
ATOM     19  C   LIG    1        7.179  -0.321   0.652  0.00  0.00    +0.079 A 
ATOM     20 CL   LIG    1        8.808  -0.597   1.119  0.00  0.00    -0.076 Cl
ATOM     21  C   LIG    1        6.752   0.337  -0.470  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        5.324   0.375  -0.532  0.00  0.00    +0.020 A 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   2  13
TORSDOF 5