REMARK  Name = BDB017148
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.497  -1.114   0.167  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        2.710  -1.522   0.735  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        3.803  -0.648   0.834  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        3.696   0.678   0.345  0.00  0.00    -0.012 A 
ATOM      5  C   LIG    1        4.822   1.521   0.486  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        6.006   1.072   1.076  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        6.096  -0.232   1.541  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        2.473   1.088  -0.250  0.00  0.00    -0.014 A 
ATOM      9  C   LIG    1        5.001  -1.086   1.421  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        1.388   0.190  -0.321  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1        0.589  -3.259   0.487  0.00  0.00    -0.292 OA
ATOM     12  C   LIG    1        0.373  -2.106   0.116  0.00  0.00    +0.167 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -1.006  -1.668  -0.372  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -1.728  -0.903   0.748  0.00  0.00    +0.096 C 
ATOM     15  N   LIG    1       -3.096  -0.468   0.408  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1       -3.903  -1.613  -0.050  0.00  0.00    +0.085 C 
ATOM     17  C   LIG    1       -3.263  -2.431  -1.175  0.00  0.00    +0.016 C 
ATOM     18  C   LIG    1       -1.851  -2.874  -0.805  0.00  0.00    +0.014 C 
BRANCH  15  19
ATOM     19  C   LIG    1       -3.090   0.617  -0.586  0.00  0.00    +0.057 C 
ATOM     20  C   LIG    1       -4.476   1.318  -0.615  0.00  0.00    +0.019 C 
ATOM     21  C   LIG    1       -3.706   2.654  -0.675  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -2.558   1.928   0.057  0.00  0.00    +0.019 C 
ENDBRANCH  15  19
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   8  23
ATOM     23  C   LIG    1        2.271   2.486  -0.791  0.00  0.00    +0.191 C 
BRANCH  23  24
ATOM     24  O   LIG    1        2.059   3.417   0.260  0.00  0.00    -0.390 OA
ATOM     25  H   LIG    1        2.178   2.954   1.108  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 5