REMARK  Name = BDB047342
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.003   1.029   0.886  0.00  0.00    -0.022 A 
ATOM      2  C   LIG    1        0.872   1.950   0.300  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        2.164   1.564  -0.073  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        2.619   0.252   0.134  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1        1.737  -0.662   0.731  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.446  -0.279   1.106  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.978  -0.152  -0.262  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1        4.189  -1.264  -1.095  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        5.479  -1.649  -1.472  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        6.577  -0.924  -1.018  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1        8.165  -1.396  -1.481  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1        6.396   0.180  -0.191  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        5.104   0.563   0.183  0.00  0.00    +0.010 A 
ENDBRANCH   4   7
BRANCH   1  14
ATOM     14  C   LIG    1       -1.392   1.448   1.304  0.00  0.00    +0.196 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -2.369   0.484   0.908  0.00  0.00    -0.361 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -2.763   0.586  -0.462  0.00  0.00    +0.227 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.666   1.788  -0.773  0.00  0.00    +0.334 C 
ATOM     18  O   LIG    1       -4.042   2.651   0.005  0.00  0.00    -0.248 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -4.012   1.866  -2.076  0.00  0.00    -0.479 OA
ATOM     20  H   LIG    1       -4.572   2.670  -2.122  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  16  17
BRANCH  16  21
ATOM     21  C   LIG    1       -3.459  -0.730  -0.843  0.00  0.00    +0.043 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -5.343  -2.349  -0.408  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1       -4.702  -1.033   0.004  0.00  0.00    -0.000 C 
ENDBRANCH  21  23
ENDBRANCH  16  21
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 8