REMARK  Name = BDB015355
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.321  -0.731   2.957  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1        0.234   0.538   2.538  0.00  0.00    +0.077 S 
ATOM      3  O   LIG    1        0.476   1.576   3.523  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        1.791   0.194   1.741  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1        1.930  -0.973   0.988  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        3.153  -1.256   0.374  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        4.252  -0.390   0.512  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1        4.092   0.768   1.293  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        2.873   1.059   1.912  0.00  0.00    +0.029 A 
BRANCH   7  10
ATOM     10  C   LIG    1        5.539  -0.693  -0.137  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1        6.179  -1.927   0.067  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        7.398  -2.207  -0.552  0.00  0.00    +0.042 A 
ATOM     13 CL   LIG    1        8.161  -3.726  -0.285  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        8.004  -1.268  -1.382  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        7.385  -0.038  -1.596  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        6.163   0.245  -0.978  0.00  0.00    +0.008 A 
ENDBRANCH   7  10
ENDBRANCH   2   4
BRANCH   2  17
ATOM     17  N   LIG    1       -0.673   1.220   1.289  0.00  0.00    -0.172 N 
ATOM     18  C   LIG    1       -1.058   0.571   0.101  0.00  0.00    +0.201 C 
ATOM     19  N   LIG    1       -0.944   1.295  -0.968  0.00  0.00    -0.253 NA
ATOM     20  C   LIG    1       -0.399   2.606  -0.551  0.00  0.00    +0.166 C 
ATOM     21  C   LIG    1       -0.364   2.624   0.973  0.00  0.00    +0.158 C 
BRANCH  18  22
ATOM     22  N   LIG    1       -1.523  -0.716   0.148  0.00  0.00    -0.300 N 
ATOM     23  C   LIG    1       -2.578  -1.068   1.128  0.00  0.00    +0.123 C 
ATOM     24  C   LIG    1       -3.854  -1.639   0.457  0.00  0.00    +0.103 C 
ATOM     25  N   LIG    1       -4.236  -1.038  -0.840  0.00  0.00    -0.296 NA
ATOM     26  C   LIG    1       -3.072  -1.057  -1.768  0.00  0.00    +0.103 C 
ATOM     27  C   LIG    1       -1.708  -1.417  -1.134  0.00  0.00    +0.123 C 
BRANCH  25  28
ATOM     28  C   LIG    1       -4.695   0.347  -0.639  0.00  0.00    +0.057 C 
ATOM     29  C   LIG    1       -6.088   0.354   0.047  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1       -6.489   1.450  -0.963  0.00  0.00    +0.003 C 
ATOM     31  C   LIG    1       -5.436   0.842  -1.913  0.00  0.00    +0.019 C 
ENDBRANCH  25  28
ENDBRANCH  18  22
ENDBRANCH   2  17
TORSDOF 5