REMARK  Name = BDB002253
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.659  -0.338  -0.551  0.00  0.00    +0.123 A 
ATOM      2  N   LIG    1       -0.343  -1.121  -0.134  0.00  0.00    -0.213 NA
ATOM      3  C   LIG    1       -1.498  -0.516   0.207  0.00  0.00    +0.162 A 
ATOM      4  N   LIG    1       -1.707   0.814   0.147  0.00  0.00    -0.230 NA
ATOM      5  C   LIG    1       -0.681   1.577  -0.284  0.00  0.00    +0.072 A 
ATOM      6  C   LIG    1        0.529   1.029  -0.661  0.00  0.00    +0.069 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.611  -1.369   0.675  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1       -3.836  -0.816   1.098  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -4.890  -1.622   1.543  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.744  -3.005   1.575  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -3.547  -3.582   1.163  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.495  -2.773   0.720  0.00  0.00    +0.011 A 
ENDBRANCH   3   7
BRANCH   1  13
ATOM     13  N   LIG    1        1.835  -1.005  -0.908  0.00  0.00    -0.329 N 
ATOM     14  H   LIG    1        1.630  -1.986  -0.718  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.024  -0.556  -0.186  0.00  0.00    +0.102 C 
BRANCH  15  17
ATOM     16  C   LIG    1        5.474  -1.036   0.166  0.00  0.00    +0.005 C 
ATOM     17  C   LIG    1        4.202  -1.460  -0.550  0.00  0.00    +0.015 C 
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   5  18
ATOM     18  C   LIG    1       -0.925   3.062  -0.403  0.00  0.00    +0.214 C 
BRANCH  18  19
ATOM     19  O   LIG    1        0.221   3.801   0.031  0.00  0.00    -0.377 OA
ATOM     20  C   LIG    1       -0.015   5.201  -0.026  0.00  0.00    +0.194 C 
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 6