REMARK  Name = BDB009016
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.650   0.688  -0.437  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.378  -0.100  -0.962  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        1.329   0.446  -1.844  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        1.214   1.790  -2.222  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.190   2.581  -1.704  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.733   2.033  -0.814  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -1.790  -1.067   0.951  0.00  0.00    +0.255 C 
ATOM      8  N   LIG    1       -1.625   0.215   0.459  0.00  0.00    -0.283 N 
ATOM      9  H   LIG    1       -2.335   0.880   0.755  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -1.091  -2.045   0.703  0.00  0.00    -0.272 OA
BRANCH   7  11
ATOM     11  C   LIG    1       -2.972  -1.180   1.923  0.00  0.00    +0.324 C 
BRANCH  11  12
ATOM     12  O   LIG    1       -3.897  -0.100   1.869  0.00  0.00    -0.483 OA
BRANCH  12  15
ATOM     13  C   LIG    1       -5.877   1.806   2.211  0.00  0.00    +0.047 C 
ATOM     14  C   LIG    1       -5.903   0.827   1.070  0.00  0.00    -0.009 A 
ATOM     15  C   LIG    1       -4.892  -0.142   0.927  0.00  0.00    +0.124 A 
ATOM     16  C   LIG    1       -4.940  -1.035  -0.148  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -5.990  -0.977  -1.068  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -6.995  -0.025  -0.924  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -6.952   0.874   0.139  0.00  0.00    +0.007 A 
ENDBRANCH  12  15
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1        2.433  -0.409  -2.425  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.177  -1.259  -1.400  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1        4.053  -0.599  -0.380  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1        4.261   0.890  -0.382  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1        5.448   1.335   0.478  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        5.452   0.612   1.819  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        5.532  -0.903   1.625  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1        4.647  -1.405   0.518  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        4.443  -2.874   0.451  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1        4.976  -3.637   1.250  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1        3.640  -3.320  -0.563  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1        3.474  -4.319  -0.619  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1        3.002  -2.545  -1.478  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6