REMARK  Name = BDB047274
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.436  -1.975  -0.257  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -1.672  -2.614  -0.587  0.00  0.00    -0.492 OA
BRANCH   2   9
ATOM      3  C   LIG    1       -5.489   1.996   0.148  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -4.222   1.358   0.325  0.00  0.00    -0.477 OA
ATOM      5  C   LIG    1       -4.212   0.014   0.064  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -5.371  -0.765  -0.001  0.00  0.00    -0.005 A 
ATOM      7  C   LIG    1       -5.254  -2.127  -0.294  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -3.994  -2.699  -0.485  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -2.835  -1.926  -0.380  0.00  0.00    +0.124 A 
ATOM     10  C   LIG    1       -6.724  -0.153   0.214  0.00  0.00    +0.043 C 
ATOM     11  C   LIG    1       -2.951  -0.564  -0.108  0.00  0.00    +0.091 A 
ATOM     12  C   LIG    1       -6.595   1.221   0.857  0.00  0.00    +0.061 C 
BRANCH   3  14
ATOM     13  O   LIG    1       -4.536   3.871   1.410  0.00  0.00    -0.247 OA
ATOM     14  C   LIG    1       -5.424   3.424   0.700  0.00  0.00    +0.346 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -6.473   4.197   0.315  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -7.109   3.761  -0.284  0.00  0.00    +0.295 HD
ENDBRANCH  14  15
ENDBRANCH   3  14
ENDBRANCH   2   9
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        0.133  -1.256  -1.479  0.00  0.00    +0.082 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.391  -0.465  -1.143  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.381  -1.361  -0.648  0.00  0.00    -0.490 OA
BRANCH  19  20
ATOM     20  C   LIG    1        3.578  -0.838  -0.236  0.00  0.00    +0.139 A 
ATOM     21  C   LIG    1        4.506  -1.733   0.313  0.00  0.00    +0.086 A 
ATOM     22 CL   LIG    1        4.148  -3.419   0.469  0.00  0.00    -0.080 Cl
ATOM     23  C   LIG    1        5.753  -1.285   0.758  0.00  0.00    +0.069 A 
ATOM     24  C   LIG    1        6.097   0.064   0.666  0.00  0.00    +0.123 A 
ATOM     25  C   LIG    1        5.183   0.959   0.115  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1        3.931   0.511  -0.334  0.00  0.00    +0.051 A 
BRANCH  24  27
ATOM     27  O   LIG    1        7.344   0.360   1.137  0.00  0.00    -0.483 OA
BRANCH  27  28
ATOM     28  C   LIG    1        7.751   1.730   1.226  0.00  0.00    +0.342 C 
BRANCH  28  29
ATOM     29  C   LIG    1        8.447   2.237  -0.029  0.00  0.00    +0.424 C 
ATOM     30  F   LIG    1        8.914   3.493   0.175  0.00  0.00    -0.167 F 
ATOM     31  F   LIG    1        7.611   2.294  -1.089  0.00  0.00    -0.167 F 
ATOM     32  F   LIG    1        9.502   1.466  -0.368  0.00  0.00    -0.167 F 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11