REMARK  Name = BDB007285
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.707   0.064   0.098  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -0.810  -0.782   0.768  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        0.553  -0.754   0.513  0.00  0.00    +0.075 A 
ATOM      4  N   LIG    1        1.349  -1.586   1.186  0.00  0.00    -0.235 NA
ATOM      5  C   LIG    1        2.670  -1.567   0.946  0.00  0.00    +0.138 A 
ATOM      6  C   LIG    1        3.281  -0.718   0.020  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        2.438   0.154  -0.683  0.00  0.00    +0.031 A 
ATOM      8  S   LIG    1        3.351   1.133  -1.785  0.00  0.00    -0.096 S 
ATOM      9  C   LIG    1        4.827   0.417  -1.339  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        4.657  -0.547  -0.376  0.00  0.00    +0.019 A 
ATOM     11 CL   LIG    1        3.635  -2.650   1.834  0.00  0.00    -0.061 Cl
ATOM     12  C   LIG    1        1.031   0.156  -0.450  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        0.141   1.015  -1.133  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -1.224   0.965  -0.857  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  15
ATOM     15  C   LIG    1       -3.152  -0.038   0.439  0.00  0.00    +0.339 C 
ATOM     16  O   LIG    1       -3.596  -0.817   1.267  0.00  0.00    -0.245 OA
BRANCH  15  18
ATOM     17  C   LIG    1       -5.281   0.802  -0.020  0.00  0.00    +0.280 C 
ATOM     18  O   LIG    1       -3.880   0.842  -0.293  0.00  0.00    -0.464 OA
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 2