REMARK  Name = BDB004550
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.147  -0.553   0.421  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        1.394  -0.997  -0.070  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        2.493  -0.893   0.806  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        3.752  -1.313   0.327  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        3.906  -1.832  -0.974  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        2.816  -1.948  -1.820  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        2.324  -0.408   2.056  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        1.091  -0.048   2.429  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        1.569  -1.535  -1.370  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1       -0.003  -0.094   1.671  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        5.005  -1.248   1.144  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        6.088  -1.604   0.690  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        4.927  -0.779   2.421  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        4.036  -0.493   2.817  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        5.764  -0.746   2.985  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1       -0.987  -0.616  -0.418  0.00  0.00    -0.321 N 
ATOM     17  H   LIG    1       -0.762  -0.123  -1.281  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.272  -0.158   0.138  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.560   1.238  -0.411  0.00  0.00    -0.026 A 
ATOM     20  C   LIG    1       -2.292   2.358   0.393  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -2.520   3.650  -0.082  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.010   3.843  -1.371  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.264   2.745  -2.189  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.036   1.450  -1.717  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  C   LIG    1       -3.377  -1.168  -0.227  0.00  0.00    +0.145 C 
BRANCH  25  27
ATOM     26  N   LIG    1       -3.252  -3.334   1.260  0.00  0.00    -0.196 NA
ATOM     27  C   LIG    1       -3.284  -2.376   0.606  0.00  0.00    +0.065 C 
ENDBRANCH  25  27
ENDBRANCH  18  25
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 6