REMARK  Name = BDB049437
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.547   1.698  -1.359  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        0.300   0.344  -1.583  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1       -0.388  -0.406  -0.626  0.00  0.00    +0.086 A 
ATOM      4 CL   LIG    1       -0.616  -2.091  -0.931  0.00  0.00    -0.080 Cl
ATOM      5  C   LIG    1       -0.851   0.201   0.548  0.00  0.00    +0.165 A 
ATOM      6  C   LIG    1       -0.578   1.555   0.774  0.00  0.00    +0.086 A 
ATOM      7 CL   LIG    1       -1.082   2.341   2.226  0.00  0.00    -0.080 Cl
ATOM      8  C   LIG    1        0.109   2.305  -0.182  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1   9
ATOM      9  N   LIG    1        1.294   2.431  -2.323  0.00  0.00    -0.216 N 
ATOM     10  H   LIG    1        1.258   2.132  -3.297  0.00  0.00    +0.174 HD
BRANCH   9  12
ATOM     11  O   LIG    1        2.706   3.936  -0.805  0.00  0.00    -0.150 OA
ATOM     12  S   LIG    1        2.831   3.014  -1.912  0.00  0.00    +0.072 S 
ATOM     13  O   LIG    1        3.456   3.407  -3.158  0.00  0.00    -0.150 OA
BRANCH  12  14
ATOM     14  C   LIG    1        3.658   1.552  -1.330  0.00  0.00    +0.109 A 
ATOM     15  C   LIG    1        3.708   1.287   0.042  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1        4.327   0.118   0.508  0.00  0.00    -0.016 A 
ATOM     17  C   LIG    1        4.917  -0.774  -0.419  0.00  0.00    -0.018 A 
ATOM     18  C   LIG    1        5.532  -1.944   0.053  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        5.565  -2.231   1.419  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        4.986  -1.353   2.329  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        4.878  -0.472  -1.791  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        4.370  -0.184   1.878  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        4.255   0.689  -2.249  0.00  0.00    +0.029 A 
ENDBRANCH  12  14
ENDBRANCH   9  12
ENDBRANCH   1   9
BRANCH   5  24
ATOM     24  O   LIG    1       -1.493  -0.533   1.518  0.00  0.00    -0.452 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -2.825  -0.813   1.329  0.00  0.00    +0.147 A 
ATOM     26  C   LIG    1       -3.712  -0.074   0.552  0.00  0.00    +0.057 A 
ATOM     27  C   LIG    1       -5.056  -0.469   0.463  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -5.467  -1.613   1.182  0.00  0.00    +0.071 A 
ATOM     29  C   LIG    1       -6.796  -2.004   1.092  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1       -7.720  -1.295   0.318  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -7.313  -0.168  -0.386  0.00  0.00    +0.001 A 
ATOM     32  N   LIG    1       -4.619  -2.325   1.944  0.00  0.00    -0.251 NA
ATOM     33  C   LIG    1       -5.984   0.247  -0.314  0.00  0.00    +0.010 A 
ATOM     34  C   LIG    1       -3.330  -1.913   2.006  0.00  0.00    +0.157 A 
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 5