REMARK  Name = BDB001821
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.799   1.050   1.014  0.00  0.00    -0.251 N 
ATOM      2  H   LIG    1        1.227   1.657   1.587  0.00  0.00    +0.158 HD
ATOM      3  C   LIG    1        1.261   0.089   0.186  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1        1.925  -0.732  -0.444  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        5.314   0.887   0.974  0.00  0.00    +0.240 A 
ATOM      6  N   LIG    1        4.096   0.440   0.540  0.00  0.00    -0.304 N 
ATOM      7  H   LIG    1        3.907  -0.306  -0.118  0.00  0.00    +0.170 HD
ATOM      8  C   LIG    1        3.152   1.190   1.180  0.00  0.00    +0.221 A 
ATOM      9  N   LIG    1        3.751   2.054   1.964  0.00  0.00    -0.113 NA
ATOM     10  N   LIG    1        5.112   1.866   1.837  0.00  0.00    -0.121 NA
BRANCH   5  11
ATOM     11  C   LIG    1        6.604   0.388   0.572  0.00  0.00    +0.377 C 
ATOM     12  O   LIG    1        7.696   0.785   0.958  0.00  0.00    -0.241 OA
BRANCH  11  14
ATOM     13  C   LIG    1        7.655  -1.196  -0.799  0.00  0.00    +0.280 C 
ATOM     14  O   LIG    1        6.431  -0.625  -0.332  0.00  0.00    -0.462 OA
ENDBRANCH  11  14
ENDBRANCH   5  11
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  C   LIG    1       -0.226   0.062   0.098  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1       -0.853  -1.154  -0.181  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -2.247  -1.224  -0.271  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -3.054  -0.084  -0.094  0.00  0.00    -0.042 A 
ATOM     19  C   LIG    1       -2.402   1.133   0.168  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -1.006   1.210   0.260  0.00  0.00    +0.013 A 
BRANCH  18  21
ATOM     21  C   LIG    1       -4.586  -0.201  -0.201  0.00  0.00    -0.013 C 
ATOM     22  C   LIG    1       -5.332   1.134   0.027  0.00  0.00    +0.015 C 
ATOM     23  C   LIG    1       -4.971  -0.704  -1.609  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1       -5.106  -1.199   0.856  0.00  0.00    +0.015 C 
ENDBRANCH  18  21
ENDBRANCH   3  15
TORSDOF 5