REMARK  Name = BDB028488
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.330  -0.843   1.040  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.327  -0.201  -0.005  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.483   0.145  -0.699  0.00  0.00    -0.285 N 
ATOM      4  C   LIG    1       -3.749  -0.286  -0.096  0.00  0.00    +0.117 C 
ATOM      5  C   LIG    1       -4.882  -0.401  -1.131  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1       -5.006   0.895  -1.948  0.00  0.00    +0.011 C 
ATOM      7  C   LIG    1       -3.664   1.253  -2.579  0.00  0.00    +0.020 C 
ATOM      8  C   LIG    1       -2.564   1.352  -1.527  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1       -0.164   0.235  -0.593  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1       -0.197   0.158  -1.599  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -6.203  -0.796  -0.494  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1       -6.810  -2.010  -0.848  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -8.024  -2.395  -0.274  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -8.646  -1.571   0.660  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -8.056  -0.363   1.022  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.842   0.023   0.449  0.00  0.00    +0.004 A 
ENDBRANCH   5  11
BRANCH   9  17
ATOM     17  C   LIG    1        1.127  -0.126  -0.007  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.419   0.662   1.281  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.399   2.071   1.004  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        0.572   2.213   0.505  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.751   0.246   1.947  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.921   0.097   1.052  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        5.018  -0.567   1.789  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        6.319  -0.641   1.020  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        6.579   0.239  -0.042  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        7.805   0.176  -0.718  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        8.780  -0.740  -0.323  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        8.534  -1.602   0.743  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.512   1.202  -0.494  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        7.312  -1.552   1.414  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        4.400   1.397   0.548  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   9  17
TORSDOF 6