REMARK  Name = BDB015439
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.257  -0.734  -0.587  0.00  0.00    +0.201 C 
ATOM      2  N   LIG    1       -1.131  -1.407   0.287  0.00  0.00    -0.172 N 
ATOM      3  C   LIG    1       -1.835  -2.440  -0.493  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1       -1.606  -1.927  -1.909  0.00  0.00    +0.166 C 
ATOM      5  N   LIG    1       -0.460  -0.991  -1.843  0.00  0.00    -0.253 NA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        3.588   0.884   0.424  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1        2.613   1.689  -0.346  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1        1.517   0.866  -1.050  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1        0.733   0.062  -0.092  0.00  0.00    -0.300 N 
ATOM     10  C   LIG    1        1.441  -0.245   1.165  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1        2.963  -0.364   0.925  0.00  0.00    +0.103 C 
BRANCH   6  13
ATOM     12  C   LIG    1        5.904  -0.044   0.476  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1        4.807   0.620  -0.351  0.00  0.00    +0.081 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  S   LIG    1       -1.999  -0.723   1.562  0.00  0.00    +0.078 S 
ATOM     15  O   LIG    1       -2.673  -1.821   2.233  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -1.190   0.174   2.354  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -3.272   0.227   0.752  0.00  0.00    +0.128 A 
ATOM     18  C   LIG    1       -3.071   1.528   0.282  0.00  0.00    +0.068 A 
ATOM     19 CL   LIG    1       -1.590   2.400   0.377  0.00  0.00    -0.082 Cl
ATOM     20  C   LIG    1       -4.138   2.210  -0.325  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -5.393   1.612  -0.450  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1       -5.593   0.328   0.040  0.00  0.00    +0.043 A 
ATOM     23 CL   LIG    1       -7.137  -0.413  -0.103  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1       -4.547  -0.363   0.646  0.00  0.00    +0.050 A 
ENDBRANCH  14  17
ENDBRANCH   2  14
TORSDOF 4