REMARK  Name = BDB001719
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.606  -0.574   1.466  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1       -0.801   0.091   0.250  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -2.027   0.015  -0.414  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -3.091  -0.715   0.131  0.00  0.00    -0.045 A 
ATOM      5  C   LIG    1       -2.896  -1.376   1.349  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -1.669  -1.303   2.012  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        0.725  -0.494   2.173  0.00  0.00    +0.035 C 
BRANCH   7   8
ATOM      8  C   LIG    1        1.442  -1.843   2.325  0.00  0.00    +0.011 C 
BRANCH   8   9
ATOM      9  C   LIG    1        1.744  -2.563   1.006  0.00  0.00    +0.059 C 
BRANCH   9  12
ATOM     10  C   LIG    1        1.354  -1.681  -2.233  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        2.416  -1.451  -1.239  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        2.615  -1.789   0.083  0.00  0.00    +0.083 A 
ATOM     13  N   LIG    1        3.830  -1.293   0.504  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        4.316  -0.673  -0.555  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        3.500  -0.731  -1.655  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        5.576   0.050  -0.703  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        6.454   0.143   0.389  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        7.666   0.829   0.278  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        8.017   1.431  -0.928  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        7.159   1.348  -2.022  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        5.946   0.662  -1.911  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -4.421  -0.782  -0.586  0.00  0.00    +0.071 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.452   0.315  -0.252  0.00  0.00    +0.199 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.979   1.665  -0.572  0.00  0.00    -0.339 N 
ATOM     25  C   LIG    1       -4.233   2.487   0.234  0.00  0.00    +0.086 A 
ATOM     26  C   LIG    1       -3.980   3.652  -0.457  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1       -4.588   3.531  -1.727  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1       -5.194   2.295  -1.776  0.00  0.00    +0.086 A 
ENDBRANCH  23  24
BRANCH  23  29
ATOM     29  C   LIG    1       -6.051   0.173   1.135  0.00  0.00    +0.328 C 
ATOM     30  O   LIG    1       -6.000  -0.814   1.854  0.00  0.00    -0.249 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -6.805   1.223   1.524  0.00  0.00    -0.479 OA
ATOM     32  H   LIG    1       -7.135   0.980   2.414  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 10