REMARK  Name = BDB009017
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.306  -0.612   0.693  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.759   0.260   0.965  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.712  -0.037   1.954  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.564  -1.212   2.699  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.508  -2.083   2.436  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.421  -1.786   1.435  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.314  -0.926  -0.785  0.00  0.00    +0.255 C 
ATOM      8  N   LIG    1        1.203  -0.228  -0.327  0.00  0.00    -0.283 N 
ATOM      9  H   LIG    1        0.996   0.654  -0.780  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        2.697  -2.019  -0.380  0.00  0.00    -0.272 OA
BRANCH   7  11
ATOM     11  C   LIG    1        3.048  -0.154  -1.896  0.00  0.00    +0.324 C 
BRANCH  11  12
ATOM     12  O   LIG    1        4.251  -0.728  -2.377  0.00  0.00    -0.483 OA
BRANCH  12  17
ATOM     13  C   LIG    1        9.263   0.345   0.065  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1        7.923   0.101  -0.562  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1        6.747   0.329   0.161  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1        5.495   0.068  -0.408  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        5.405  -0.428  -1.707  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        6.578  -0.686  -2.420  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        7.829  -0.425  -1.854  0.00  0.00    +0.007 A 
ENDBRANCH  12  17
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -2.850   0.913   2.252  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.611   1.368   1.008  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -4.701   0.506   0.453  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -5.038  -0.816   1.082  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -5.952  -1.689   0.215  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -7.071  -0.867  -0.411  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -6.502   0.259  -1.278  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -5.353   0.977  -0.625  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -4.958   2.275  -1.226  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -5.519   2.728  -2.218  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -3.928   2.932  -0.609  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -3.653   3.828  -0.998  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -3.256   2.509   0.494  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6