REMARK  Name = BDB017171
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.434   0.081  -0.644  0.00  0.00    +0.167 C 
ATOM      2  O   LIG    1        0.379   0.329  -1.849  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   5
ATOM      3  N   LIG    1       -3.279  -0.010   0.140  0.00  0.00    -0.302 NA
ATOM      4  C   LIG    1       -2.050   0.461  -0.514  0.00  0.00    +0.095 C 
ATOM      5  C   LIG    1       -0.828  -0.175   0.178  0.00  0.00    +0.074 C 
ATOM      6  C   LIG    1       -1.023  -1.681   0.431  0.00  0.00    +0.014 C 
ATOM      7  C   LIG    1       -2.200  -2.236  -0.361  0.00  0.00    +0.016 C 
ATOM      8  C   LIG    1       -3.491  -1.449  -0.097  0.00  0.00    +0.084 C 
BRANCH   3   9
ATOM      9  C   LIG    1       -4.441   0.797  -0.260  0.00  0.00    +0.084 C 
BRANCH   9  11
ATOM     10  C   LIG    1       -5.554   0.751   2.036  0.00  0.00    +0.005 C 
ATOM     11  C   LIG    1       -5.715   0.500   0.543  0.00  0.00    +0.012 C 
ENDBRANCH   9  11
ENDBRANCH   3   9
ENDBRANCH   1   5
BRANCH   1  12
ATOM     12  C   LIG    1        1.779   0.021   0.020  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1        2.919   0.279  -0.767  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1        4.226   0.261  -0.245  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        4.336  -0.059   1.119  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        3.218  -0.322   1.918  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        1.939  -0.279   1.373  0.00  0.00    +0.011 A 
BRANCH  14  18
ATOM     18  N   LIG    1        5.354   0.502  -1.039  0.00  0.00    -0.336 N 
ATOM     19  C   LIG    1        5.176   0.975  -2.412  0.00  0.00    +0.129 C 
ATOM     20  C   LIG    1        6.595   0.918  -0.386  0.00  0.00    +0.129 C 
ENDBRANCH  14  18
ENDBRANCH   1  12
TORSDOF 5