REMARK  Name = BDB047871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.822   0.500  -1.179  0.00  0.00    -0.035 A 
ATOM      2  C   LIG    1       -2.693  -0.148  -0.615  0.00  0.00    +0.003 A 
ATOM      3  C   LIG    1       -2.500  -1.401   0.037  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -1.174  -1.507   0.384  0.00  0.00    +0.087 A 
ATOM      5  N   LIG    1       -0.542  -0.367  -0.038  0.00  0.00    -0.346 N 
ATOM      6  C   LIG    1       -1.443   0.480  -0.654  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1       -1.259   1.740  -1.242  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -2.368   2.367  -1.806  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -3.620   1.761  -1.779  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -5.222  -0.087  -1.157  0.00  0.00    +0.079 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -6.084   0.359   0.032  0.00  0.00    +0.230 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -6.321   1.869   0.012  0.00  0.00    +0.334 C 
ATOM     13  O   LIG    1       -6.918   2.468  -0.871  0.00  0.00    -0.248 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -5.795   2.485   1.101  0.00  0.00    -0.479 OA
ATOM     15  H   LIG    1       -5.341   1.791   1.637  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  11  12
BRANCH  11  16
ATOM     16  O   LIG    1       -5.490   0.022   1.302  0.00  0.00    -0.365 OA
BRANCH  16  18
ATOM     17  C   LIG    1       -5.143  -1.554   3.059  0.00  0.00    +0.034 C 
ATOM     18  C   LIG    1       -5.872  -1.275   1.760  0.00  0.00    +0.157 C 
ENDBRANCH  16  18
ENDBRANCH  11  16
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   5  19
ATOM     19  C   LIG    1        0.879  -0.110   0.138  0.00  0.00    +0.128 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.684  -0.525  -1.089  0.00  0.00    +0.080 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.120  -0.178  -0.946  0.00  0.00    +0.084 A 
ATOM     22  C   LIG    1        3.882   0.730  -1.649  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1        3.627   1.665  -2.759  0.00  0.00    +0.088 C 
ATOM     24  O   LIG    1        5.152   0.688  -1.148  0.00  0.00    -0.440 OA
ATOM     25  C   LIG    1        5.096  -0.253  -0.151  0.00  0.00    +0.228 A 
ATOM     26  N   LIG    1        3.900  -0.792   0.007  0.00  0.00    -0.214 NA
BRANCH  25  27
ATOM     27  C   LIG    1        6.332  -0.517   0.580  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1        7.527   0.158   0.288  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        8.696  -0.116   1.005  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        8.684  -1.067   2.023  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.506  -1.746   2.326  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        6.339  -1.472   1.608  0.00  0.00    +0.013 A 
ENDBRANCH  25  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 10