REMARK  Name = BDB017821
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.364  -0.939  -2.571  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1        0.898  -1.338  -1.860  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1        1.242  -2.658  -2.168  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1        2.384  -3.237  -1.647  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        3.187  -2.469  -0.797  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        2.866  -1.129  -0.486  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.263  -3.257  -3.129  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1        1.705  -0.563  -1.035  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -0.937  -2.317  -2.963  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        3.751  -0.374   0.392  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1        4.781  -0.970   1.117  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        5.341   0.021   1.755  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1        6.473   0.205   2.682  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1        6.677   1.741   2.619  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1        5.332   2.330   2.150  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1        4.726   1.200   1.482  0.00  0.00    -0.334 N 
ATOM     17  C   LIG    1        3.717   0.998   0.617  0.00  0.00    +0.115 A 
ENDBRANCH   6  10
BRANCH   1  19
ATOM     18  C   LIG    1       -2.329   0.494  -2.230  0.00  0.00    +0.218 C 
ATOM     19  N   LIG    1       -1.266  -0.207  -1.712  0.00  0.00    -0.308 N 
ATOM     20  H   LIG    1       -1.223  -0.406  -0.722  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1       -2.526   0.610  -3.436  0.00  0.00    -0.275 OA
BRANCH  18  26
ATOM     22  C   LIG    1       -6.810   0.543   2.098  0.00  0.00    +0.109 C 
ATOM     23  C   LIG    1       -6.074  -0.002   0.899  0.00  0.00    +0.212 C 
ATOM     24  N   LIG    1       -4.806   0.511   0.654  0.00  0.00    -0.301 N 
ATOM     25  C   LIG    1       -4.051   0.009  -0.494  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -3.266   1.116  -1.203  0.00  0.00    +0.092 C 
ATOM     27  C   LIG    1       -2.522   2.060  -0.241  0.00  0.00    +0.016 C 
ATOM     28  C   LIG    1       -2.650   1.628   1.216  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1       -4.112   1.399   1.585  0.00  0.00    +0.108 C 
ATOM     30  O   LIG    1       -6.595  -0.863   0.191  0.00  0.00    -0.276 OA
ENDBRANCH  18  26
ENDBRANCH   1  19
TORSDOF 3