REMARK  Name = BDB035258
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.715  -0.815   2.824  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1        0.664  -2.235   3.092  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.499   0.163   3.868  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   9
ATOM      4  C   LIG    1       -3.623  -0.073  -2.602  0.00  0.00    +0.154 C 
ATOM      5  N   LIG    1       -3.040   0.626  -1.494  0.00  0.00    -0.295 N 
ATOM      6  C   LIG    1       -2.167   0.067  -0.553  0.00  0.00    +0.070 A 
ATOM      7  C   LIG    1       -1.830   1.067   0.365  0.00  0.00    +0.071 A 
ATOM      8  C   LIG    1       -0.973   0.835   1.418  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -0.441  -0.457   1.516  0.00  0.00    +0.111 A 
ATOM     10  C   LIG    1       -0.799  -1.482   0.608  0.00  0.00    +0.031 A 
ATOM     11  N   LIG    1       -2.498   2.238  -0.010  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1       -2.451   3.487   0.693  0.00  0.00    +0.154 C 
ATOM     13  C   LIG    1       -1.671  -1.216  -0.452  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -3.266   1.981  -1.169  0.00  0.00    +0.330 A 
ATOM     15  O   LIG    1       -3.977   2.773  -1.766  0.00  0.00    -0.246 OA
ENDBRANCH   1   9
BRANCH   1  16
ATOM     16  N   LIG    1        2.197  -0.423   2.122  0.00  0.00    -0.214 N 
ATOM     17  H   LIG    1        2.512   0.524   2.320  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.592  -1.057   0.917  0.00  0.00    +0.072 A 
ATOM     19  C   LIG    1        2.552  -0.379  -0.313  0.00  0.00    +0.072 A 
ATOM     20  C   LIG    1        2.876  -1.002  -1.533  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1        2.702  -0.005  -2.545  0.00  0.00    +0.067 A 
ATOM     22  C   LIG    1        2.284   1.156  -1.939  0.00  0.00    +0.103 A 
ATOM     23 CL   LIG    1        2.941  -0.172  -4.222  0.00  0.00    -0.081 Cl
ATOM     24  C   LIG    1        3.256  -2.362  -1.469  0.00  0.00    +0.052 A 
ATOM     25 CL   LIG    1        3.657  -3.163  -2.925  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1        3.297  -3.055  -0.257  0.00  0.00    +0.022 A 
ATOM     27  N   LIG    1        2.197   0.922  -0.598  0.00  0.00    -0.358 N 
ATOM     28  H   LIG    1        1.901   1.603   0.088  0.00  0.00    +0.165 HD
ATOM     29  C   LIG    1        2.960  -2.405   0.923  0.00  0.00    +0.028 A 
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 3