REMARK  Name = BDB043253
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.108   1.875  -0.988  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        1.622   2.793  -0.075  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        2.947   2.685   0.364  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        3.776   1.658  -0.103  0.00  0.00    -0.043 A 
ATOM      5  C   LIG    1        3.257   0.743  -1.025  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.935   0.854  -1.461  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -0.162   1.848  -1.488  0.00  0.00    -0.492 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -1.110   2.823  -1.042  0.00  0.00    +0.235 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -1.746   2.437   0.295  0.00  0.00    +0.100 C 
BRANCH   9  12
ATOM     10  C   LIG    1       -1.208  -0.892   0.316  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1       -2.421  -0.067   0.187  0.00  0.00    +0.125 A 
ATOM     12  C   LIG    1       -2.682   1.287   0.169  0.00  0.00    +0.086 A 
ATOM     13  N   LIG    1       -4.034   1.493   0.009  0.00  0.00    -0.218 NA
ATOM     14  C   LIG    1       -4.535   0.277  -0.069  0.00  0.00    +0.199 A 
ATOM     15  O   LIG    1       -3.608  -0.725   0.033  0.00  0.00    -0.444 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -5.960  -0.129  -0.252  0.00  0.00    +0.075 C 
ATOM     17  C   LIG    1       -6.465  -0.942   0.948  0.00  0.00    +0.013 C 
ATOM     18  C   LIG    1       -7.915  -1.381   0.757  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1       -8.105  -2.144  -0.551  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -7.604  -1.341  -1.748  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1       -6.153  -0.901  -1.565  0.00  0.00    +0.013 C 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1        5.204   1.536   0.384  0.00  0.00    +0.091 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.422   0.494   1.498  0.00  0.00    +0.285 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.615   0.885   2.738  0.00  0.00    +0.346 C 
ATOM     25  O   LIG    1        4.543   2.009   3.217  0.00  0.00    -0.247 OA
BRANCH  24  26
ATOM     26  O   LIG    1        3.992  -0.141   3.353  0.00  0.00    -0.478 OA
ATOM     27  H   LIG    1        3.530   0.270   4.112  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  23  24
BRANCH  23  28
ATOM     28  O   LIG    1        5.087  -0.820   1.052  0.00  0.00    -0.477 OA
BRANCH  28  29
ATOM     29  C   LIG    1        6.022  -1.575   0.404  0.00  0.00    +0.122 A 
ATOM     30  C   LIG    1        7.300  -1.169   0.018  0.00  0.00    +0.045 A 
ATOM     31  C   LIG    1        8.147  -2.058  -0.653  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        7.721  -3.353  -0.943  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        6.446  -3.762  -0.563  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1        5.603  -2.874   0.106  0.00  0.00    +0.045 A 
ENDBRANCH  28  29
ENDBRANCH  23  28
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 11