REMARK  Name = BDB002097
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.074  -1.534   0.050  0.00  0.00    +0.280 C 
ATOM      2  N   LIG    1        2.384  -1.067   0.224  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1        2.688   0.244   0.386  0.00  0.00    -0.127 NA
ATOM      4  C   LIG    1        4.010   0.207   0.505  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        4.579  -1.017   0.390  0.00  0.00    -0.202 NA
ATOM      6  C   LIG    1        3.542  -1.803   0.213  0.00  0.00    +0.230 A 
ATOM      7  O   LIG    1        0.956  -2.736  -0.196  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -2.578   0.742   0.204  0.00  0.00    +0.120 A 
ATOM      9  C   LIG    1       -1.466   1.163   0.938  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -0.267   0.443   0.903  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1       -0.165  -0.708   0.119  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1       -1.287  -1.139  -0.605  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -2.485  -0.416  -0.567  0.00  0.00    +0.046 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -4.841   1.154  -0.396  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -3.682   1.538   0.331  0.00  0.00    -0.495 OA
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  16
ATOM     16  N   LIG    1        4.800   1.259   0.694  0.00  0.00    -0.326 N 
ATOM     17  H   LIG    1        4.429   2.161   0.429  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1        5.775   1.128   0.457  0.00  0.00    +0.145 HD
ENDBRANCH   4  16
TORSDOF 3