REMARK  Name = BDB000441
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.240  -1.768  -0.251  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -5.583   0.052  -0.032  0.00  0.00    +0.030 C 
ATOM      3  C   LIG    1       -4.193  -0.499  -0.228  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -3.307   0.053   0.704  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -1.973  -0.331   0.757  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -1.516  -1.285  -0.154  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -2.411  -1.839  -1.087  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -4.009   1.022   1.603  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1       -3.755  -1.458  -1.125  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -5.263   1.332   0.777  0.00  0.00    +0.013 C 
BRANCH   2  11
ATOM     11  C   LIG    1       -6.339   0.340  -1.327  0.00  0.00    +0.128 C 
BRANCH  11  13
ATOM     12  O   LIG    1       -8.329   0.851  -0.000  0.00  0.00    -0.251 OA
ATOM     13  C   LIG    1       -7.735   0.831  -1.064  0.00  0.00    +0.305 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -8.337   1.263  -2.191  0.00  0.00    -0.481 OA
ATOM     15  H   LIG    1       -9.230   1.539  -1.896  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   2  11
ENDBRANCH   1   6
BRANCH   1  16
ATOM     16  C   LIG    1        0.750  -1.305   0.667  0.00  0.00    +0.232 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.395  -0.003   0.190  0.00  0.00    +0.082 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.112  -0.165  -1.151  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        3.179  -1.109  -1.064  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.413  -0.687  -0.661  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        5.394  -1.678  -0.670  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        6.703  -1.389  -0.277  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        7.053  -0.101   0.134  0.00  0.00    +0.130 A 
ATOM     24  C   LIG    1        6.073   0.891   0.145  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1        4.759   0.599  -0.250  0.00  0.00    +0.049 A 
BRANCH  23  26
ATOM     26  O   LIG    1        8.363   0.043   0.490  0.00  0.00    -0.406 OA
BRANCH  26  27
ATOM     27  C   LIG    1        8.794   1.322   0.919  0.00  0.00    +0.575 C 
ATOM     28  F   LIG    1        8.636   2.244  -0.055  0.00  0.00    -0.133 F 
ATOM     29  F   LIG    1       10.109   1.257   1.225  0.00  0.00    -0.133 F 
ATOM     30  F   LIG    1        8.127   1.717   2.025  0.00  0.00    -0.133 F 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 11