REMARK  Name = BDB047252
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.326  -1.874   2.072  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1       -8.571  -1.094  -1.056  0.00  0.00    +0.068 C 
ATOM      3  C   LIG    1       -7.246  -0.339  -0.882  0.00  0.00    +0.203 C 
ATOM      4  O   LIG    1       -6.409  -1.188  -0.084  0.00  0.00    -0.474 OA
ATOM      5  C   LIG    1       -5.075  -0.882  -0.076  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1       -4.465  -0.057  -1.024  0.00  0.00    -0.005 A 
ATOM      7  C   LIG    1       -3.090   0.189  -0.923  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -2.333  -0.399   0.096  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -2.945  -1.233   1.034  0.00  0.00    +0.124 A 
ATOM     10  C   LIG    1       -5.262   0.581  -2.124  0.00  0.00    +0.043 C 
ATOM     11  C   LIG    1       -4.317  -1.477   0.933  0.00  0.00    +0.091 A 
ATOM     12  C   LIG    1       -6.620  -0.095  -2.264  0.00  0.00    +0.064 C 
BRANCH   3  13
ATOM     13  C   LIG    1       -7.591   0.989  -0.181  0.00  0.00    +0.349 C 
ATOM     14  O   LIG    1       -7.821   2.059  -0.727  0.00  0.00    -0.246 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -7.676   0.890   1.161  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -7.880   1.797   1.466  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   3  13
ENDBRANCH   1   9
BRANCH   1  17
ATOM     17  C   LIG    1       -0.976  -1.519   2.374  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.009  -2.443   1.637  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.443  -2.039   1.865  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.643  -0.757   1.263  0.00  0.00    -0.490 OA
BRANCH  20  21
ATOM     21  C   LIG    1        2.940  -0.352   1.087  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        3.190   0.584   0.071  0.00  0.00    +0.086 A 
ATOM     23 CL   LIG    1        1.910   1.171  -0.937  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1        4.484   1.066  -0.165  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1        5.542   0.630   0.630  0.00  0.00    +0.122 A 
ATOM     26  C   LIG    1        5.293  -0.289   1.653  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        4.003  -0.780   1.883  0.00  0.00    +0.051 A 
BRANCH  25  28
ATOM     28  O   LIG    1        6.847   1.019   0.522  0.00  0.00    -0.492 OA
BRANCH  28  29
ATOM     29  C   LIG    1        7.171   1.929  -0.529  0.00  0.00    +0.232 C 
BRANCH  29  30
ATOM     30  C   LIG    1        8.639   2.225  -0.450  0.00  0.00    +0.027 C 
ATOM     31  C   LIG    1        9.407   2.640  -1.679  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1        9.647   1.288  -1.065  0.00  0.00    +0.007 C 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11