REMARK  Name = BDB004668
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.112   0.232  -0.394  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        1.915   0.415   0.330  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        0.770  -0.270  -0.121  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -0.423  -0.066   0.609  0.00  0.00    +0.132 A 
ATOM      5  N   LIG    1       -0.463   0.712   1.702  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        0.673   1.308   2.055  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        0.854  -1.132  -1.244  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        2.042  -1.302  -1.940  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        1.847   1.209   1.423  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        3.168  -0.616  -1.518  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   4  11
ATOM     11  N   LIG    1       -1.625  -0.671   0.181  0.00  0.00    -0.310 N 
ATOM     12  C   LIG    1       -2.583  -0.949   1.275  0.00  0.00    +0.134 C 
ATOM     13  C   LIG    1       -3.939  -1.343   0.671  0.00  0.00    +0.178 C 
ATOM     14  O   LIG    1       -4.542  -0.295  -0.109  0.00  0.00    -0.377 OA
ATOM     15  C   LIG    1       -3.591   0.668  -0.589  0.00  0.00    +0.178 C 
ATOM     16  C   LIG    1       -2.238   0.044  -0.968  0.00  0.00    +0.134 C 
ENDBRANCH   4  11
BRANCH   1  20
ATOM     17  N   LIG    1        4.416   1.753   1.033  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        5.285   2.194   1.297  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        3.582   1.900   1.594  0.00  0.00    +0.145 HD
ATOM     20  C   LIG    1        4.400   0.907  -0.035  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1        5.427   0.716  -0.678  0.00  0.00    -0.270 OA
ENDBRANCH   1  20
TORSDOF 2