REMARK  Name = BDB013313
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.617   1.679  -1.878  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -1.743   1.119  -1.031  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1       -2.903   1.341  -1.380  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1       -1.405   0.457   0.144  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -0.083  -0.182   0.341  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        1.068   0.362  -0.553  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1        0.538   0.685  -1.952  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1        2.258  -0.592  -0.614  0.00  0.00    -0.041 A 
ATOM      9  C   LIG    1        3.463  -0.234   0.014  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        4.558  -1.099  -0.010  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1        6.023  -0.642   0.768  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1        4.473  -2.329  -0.656  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        3.283  -2.698  -1.280  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        2.183  -1.838  -1.258  0.00  0.00    +0.004 A 
ENDBRANCH   6   8
BRANCH   5  15
ATOM     15  C   LIG    1        0.320  -0.148   1.807  0.00  0.00    +0.012 A 
ATOM     16  S   LIG    1        0.515   1.339   2.656  0.00  0.00    -0.080 S 
ATOM     17  C   LIG    1        0.949   0.535   4.077  0.00  0.00    +0.078 A 
ATOM     18 CL   LIG    1        1.325   1.438   5.487  0.00  0.00    -0.076 Cl
ATOM     19  C   LIG    1        0.963  -0.828   3.952  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        0.599  -1.228   2.631  0.00  0.00    +0.014 A 
ENDBRANCH   5  15
BRANCH   1  21
ATOM     21  C   LIG    1       -0.198   3.051  -1.343  0.00  0.00    +0.133 C 
BRANCH  21  23
ATOM     22  O   LIG    1       -1.857   4.678  -0.703  0.00  0.00    -0.251 OA
ATOM     23  C   LIG    1       -1.238   4.117  -1.594  0.00  0.00    +0.305 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -1.381   4.447  -2.896  0.00  0.00    -0.481 OA
ATOM     25  H   LIG    1       -0.818   3.945  -3.512  0.00  0.00    +0.295 HD
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   1  21
BRANCH   4  26
ATOM     26  C   LIG    1       -2.531  -0.014   0.965  0.00  0.00    +0.112 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.865  -1.453   0.688  0.00  0.00    +0.006 C 
ATOM     28  C   LIG    1       -4.300  -1.917   0.732  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -3.568  -1.870  -0.580  0.00  0.00    +0.005 C 
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 7