REMARK  Name = BDB002006
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.168  -0.236   0.069  0.00  0.00    +0.123 A 
ATOM      2  C   LIG    1       -1.311   0.563   0.171  0.00  0.00    +0.073 A 
ATOM      3  C   LIG    1       -2.592  -0.012   0.155  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -2.721  -1.401   0.036  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -1.578  -2.197  -0.066  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -0.306  -1.618  -0.050  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -3.731   0.821   0.260  0.00  0.00    -0.200 N 
ATOM      8  N   LIG    1       -3.648   2.166   0.377  0.00  0.00    -0.039 NA
ATOM      9  N   LIG    1       -4.896   2.607   0.450  0.00  0.00    -0.023 NA
ATOM     10  N   LIG    1       -5.788   1.571   0.383  0.00  0.00    -0.116 NA
ATOM     11  C   LIG    1       -5.062   0.483   0.267  0.00  0.00    +0.250 A 
ENDBRANCH   3   7
BRANCH   1  12
ATOM     12  O   LIG    1        1.012   0.455   0.097  0.00  0.00    -0.481 OA
BRANCH  12  13
ATOM     13  C   LIG    1        2.213  -0.301  -0.003  0.00  0.00    +0.349 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.431   0.611   0.044  0.00  0.00    +0.345 C 
ATOM     15  O   LIG    1        3.420   1.829   0.152  0.00  0.00    -0.247 OA
BRANCH  14  17
ATOM     16  C   LIG    1        5.774   0.609  -0.021  0.00  0.00    +0.280 C 
ATOM     17  O   LIG    1        4.564  -0.150  -0.054  0.00  0.00    -0.466 OA
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 5