REMARK  Name = BDB002263
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.728   2.830  -1.730  0.00  0.00    -0.108 C 
ATOM      2  C   LIG    1       -0.846   2.760  -2.933  0.00  0.00    -0.017 C 
ENDROOT
BRANCH   1   3
ATOM      3  N   LIG    1       -1.403   2.328  -0.524  0.00  0.00    +0.424 NA
BRANCH   3   5
ATOM      4  C   LIG    1        0.683   1.659   0.617  0.00  0.00    +0.231 C 
ATOM      5  N   LIG    1       -0.132   1.635  -0.516  0.00  0.00    -0.405 N 
ATOM      6  H   LIG    1       -0.002   0.935  -1.234  0.00  0.00    +0.121 HD
ATOM      7  O   LIG    1        0.483   2.310   1.640  0.00  0.00    -0.274 OA
BRANCH   4   8
ATOM      8  C   LIG    1        1.905   0.749   0.435  0.00  0.00    +0.322 C 
BRANCH   8   9
ATOM      9  O   LIG    1        2.801   0.796   1.539  0.00  0.00    -0.483 OA
BRANCH   9  13
ATOM     10  C   LIG    1        6.234  -1.576   1.657  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1        5.407  -1.646   0.533  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1        4.247  -0.868   0.444  0.00  0.00    +0.049 A 
ATOM     13  C   LIG    1        3.901  -0.011   1.486  0.00  0.00    +0.121 A 
ATOM     14  C   LIG    1        4.731   0.062   2.607  0.00  0.00    +0.049 A 
ATOM     15  C   LIG    1        5.892  -0.713   2.696  0.00  0.00    +0.049 A 
BRANCH  10  17
ATOM     16  C   LIG    1        8.184  -2.370   2.752  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        7.331  -2.392   1.616  0.00  0.00    -0.495 OA
ENDBRANCH  10  17
ENDBRANCH   9  13
ENDBRANCH   8   9
ENDBRANCH   4   8
ENDBRANCH   3   5
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1       -3.135   3.367  -1.871  0.00  0.00    +0.076 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.209   2.269  -1.982  0.00  0.00    +0.216 C 
ATOM     20  N   LIG    1       -3.967   1.196  -1.142  0.00  0.00    -0.285 N 
ATOM     21  H   LIG    1       -3.062   1.274  -0.656  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1       -5.189   2.409  -2.714  0.00  0.00    -0.276 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -4.723   0.032  -0.948  0.00  0.00    +0.036 A 
ATOM     24  C   LIG    1       -4.194  -0.936  -0.087  0.00  0.00    +0.056 A 
ATOM     25  C   LIG    1       -4.904  -2.121   0.143  0.00  0.00    +0.128 A 
ATOM     26  C   LIG    1       -6.142  -2.350  -0.474  0.00  0.00    +0.033 A 
ATOM     27  C   LIG    1       -6.665  -1.381  -1.327  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -5.959  -0.198  -1.562  0.00  0.00    +0.023 A 
BRANCH  25  29
ATOM     29  N   LIG    1       -4.349  -3.143   1.035  0.00  0.00    +0.056 N 
ATOM     30  O   LIG    1       -5.101  -4.062   1.395  0.00  0.00    -0.126 OA
ATOM     31  O   LIG    1       -3.162  -3.041   1.373  0.00  0.00    -0.126 OA
ENDBRANCH  25  29
ENDBRANCH  20  23
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10