REMARK  Name = BDB001791
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.987   0.226  -0.179  0.00  0.00    +0.240 A 
ATOM      2  N   LIG    1        1.723   0.605   0.186  0.00  0.00    -0.304 N 
ATOM      3  H   LIG    1        1.500   1.354   0.822  0.00  0.00    +0.170 HD
ATOM      4  C   LIG    1        0.854  -0.223  -0.469  0.00  0.00    +0.221 A 
ATOM      5  N   LIG    1        1.555  -1.061  -1.198  0.00  0.00    -0.113 NA
ATOM      6  N   LIG    1        2.895  -0.783  -1.019  0.00  0.00    -0.121 NA
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -0.505  -0.096  -0.318  0.00  0.00    -0.251 N 
ATOM      8  H   LIG    1       -0.865   0.611   0.304  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -1.384  -0.975  -0.921  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1       -1.106  -1.967  -1.581  0.00  0.00    -0.270 OA
BRANCH   9  11
ATOM     11  C   LIG    1       -2.822  -0.673  -0.675  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -3.305   0.643  -0.642  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -4.660   0.880  -0.404  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.535  -0.189  -0.208  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.061  -1.500  -0.260  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -3.708  -1.743  -0.499  0.00  0.00    +0.013 A 
ENDBRANCH   9  11
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  C   LIG    1        4.191   0.852   0.296  0.00  0.00    +0.377 C 
ATOM     18  O   LIG    1        4.207   1.795   1.080  0.00  0.00    -0.241 OA
BRANCH  17  20
ATOM     19  C   LIG    1        6.531   0.825   0.187  0.00  0.00    +0.280 C 
ATOM     20  O   LIG    1        5.293   0.259  -0.238  0.00  0.00    -0.462 OA
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 4