REMARK  Name = BDB046422
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.336   0.032   0.513  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1       -2.095  -0.869  -0.270  0.00  0.00    +0.001 A 
ATOM      3  C   LIG    1       -1.531  -2.150  -0.492  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -0.321  -2.578   0.084  0.00  0.00    -0.041 A 
ATOM      5  C   LIG    1        0.334  -1.677   0.935  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -0.150  -0.379   1.159  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -3.474  -0.516  -0.888  0.00  0.00    -0.009 C 
ATOM      8  C   LIG    1       -4.295  -1.768  -1.304  0.00  0.00    +0.015 C 
ATOM      9  C   LIG    1       -4.388   0.254   0.097  0.00  0.00    +0.015 C 
ATOM     10  C   LIG    1       -3.264   0.324  -2.162  0.00  0.00    +0.015 C 
ENDBRANCH   2   7
BRANCH   4  11
ATOM     11  C   LIG    1        0.278  -3.975  -0.163  0.00  0.00    -0.013 C 
ATOM     12  C   LIG    1       -0.530  -4.840  -1.157  0.00  0.00    +0.015 C 
ATOM     13  C   LIG    1        0.345  -4.752   1.169  0.00  0.00    +0.015 C 
ATOM     14  C   LIG    1        1.703  -3.833  -0.743  0.00  0.00    +0.015 C 
ENDBRANCH   4  11
BRANCH   6  15
ATOM     15  C   LIG    1        0.593   0.466   2.127  0.00  0.00    -0.040 C 
ATOM     16  C   LIG    1        1.845   0.924   1.918  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -0.152   0.767   3.401  0.00  0.00    +0.044 C 
BRANCH  16  18
ATOM     18  C   LIG    1        2.647   0.735   0.724  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1        3.906   1.189   0.611  0.00  0.00    +0.003 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.780   1.046  -0.558  0.00  0.00    -0.044 C 
ATOM     21  C   LIG    1        5.977   1.667  -0.538  0.00  0.00    +0.094 C 
ATOM     22  C   LIG    1        4.296   0.174  -1.691  0.00  0.00    +0.044 C 
BRANCH  21  23
ATOM     23  C   LIG    1        6.997   1.705  -1.595  0.00  0.00    +0.330 C 
ATOM     24  O   LIG    1        8.195   1.783  -1.390  0.00  0.00    -0.246 OA
BRANCH  23  25
ATOM     25  O   LIG    1        6.492   1.752  -2.836  0.00  0.00    -0.478 OA
ATOM     26  H   LIG    1        7.283   1.824  -3.408  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  19  20
ENDBRANCH  16  18
ENDBRANCH   6  15
BRANCH   1  27
ATOM     27  O   LIG    1       -1.801   1.313   0.693  0.00  0.00    -0.491 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -1.011   2.281  -0.011  0.00  0.00    +0.229 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.821   3.570  -0.152  0.00  0.00    +0.041 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -2.926   5.493   1.045  0.00  0.00    +0.004 C 
ATOM     31  C   LIG    1       -2.153   4.194   1.206  0.00  0.00    -0.000 C 
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 11