REMARK  Name = BDB047340
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.330   0.832  -1.289  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1        1.253   2.042  -2.761  0.00  0.00    -0.247 OA
ATOM      3  C   LIG    1        0.233   2.013  -2.091  0.00  0.00    +0.346 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -0.564   3.104  -2.063  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1       -0.109   3.741  -2.656  0.00  0.00    +0.295 HD
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1   6
ATOM      6  O   LIG    1        0.439  -0.372  -1.318  0.00  0.00    -0.477 OA
BRANCH   6   7
ATOM      7  C   LIG    1        1.672  -0.470  -0.748  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        2.448   0.569  -0.237  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1        3.703   0.302   0.325  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1        4.184  -1.004   0.374  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1        5.724  -1.325   1.067  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1        3.422  -2.049  -0.139  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        2.172  -1.777  -0.699  0.00  0.00    +0.047 A 
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  14
ATOM     14  C   LIG    1       -0.782   1.226   0.132  0.00  0.00    +0.091 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -1.843   0.294   0.679  0.00  0.00    -0.043 A 
ATOM     16  C   LIG    1       -3.202   0.571   0.475  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -4.180  -0.295   0.966  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -3.810  -1.445   1.660  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -2.462  -1.732   1.863  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -1.482  -0.867   1.375  0.00  0.00    +0.004 A 
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 6