REMARK  Name = BDB029432
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.134  -0.675  -0.305  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        1.212  -0.036   0.334  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        2.069   0.718  -0.440  0.00  0.00    +0.038 A 
ATOM      4  N   LIG    1        3.180   1.431  -0.021  0.00  0.00    -0.285 N 
ATOM      5  H   LIG    1        3.516   1.499   0.928  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1        3.799   2.072  -1.088  0.00  0.00    +0.222 C 
ATOM      7  C   LIG    1        3.000   1.737  -2.354  0.00  0.00    +0.133 C 
ATOM      8  O   LIG    1        4.795   2.771  -1.020  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        1.910   0.860  -1.815  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1        0.866   0.240  -2.471  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -0.021  -0.529  -1.707  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -1.658  -0.956   1.468  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1       -0.819  -1.490   0.468  0.00  0.00    -0.004 A 
ATOM     14  C   LIG    1       -0.881  -2.878   0.238  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -1.731  -3.701   0.983  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -2.533  -3.156   1.982  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -2.496  -1.786   2.229  0.00  0.00    +0.015 A 
BRANCH  12  18
ATOM     18  C   LIG    1       -1.694   0.486   1.785  0.00  0.00    +0.340 C 
ATOM     19  O   LIG    1       -1.532   0.934   2.908  0.00  0.00    -0.245 OA
BRANCH  18  21
ATOM     20  C   LIG    1       -2.056   2.595   0.861  0.00  0.00    +0.280 C 
ATOM     21  O   LIG    1       -1.998   1.183   0.664  0.00  0.00    -0.464 OA
ENDBRANCH  18  21
ENDBRANCH  12  18
ENDBRANCH   1  13
TORSDOF 3