REMARK  Name = BDB020873
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.648   0.521   0.305  0.00  0.00    +0.147 A 
ATOM      2  N   LIG    1        2.200  -0.698  -0.004  0.00  0.00    -0.158 NA
ATOM      3  N   LIG    1        1.003  -0.475  -0.569  0.00  0.00    -0.280 N 
ATOM      4  H   LIG    1        0.471  -1.275  -0.895  0.00  0.00    +0.189 HD
ATOM      5  C   LIG    1        0.657   0.848  -0.625  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        1.720   1.519  -0.057  0.00  0.00    +0.068 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.623   1.351  -1.206  0.00  0.00    +0.041 C 
ATOM      8  C   LIG    1       -1.857   0.837  -0.449  0.00  0.00    +0.054 C 
ATOM      9  C   LIG    1       -2.871   0.484  -1.535  0.00  0.00    +0.179 C 
ATOM     10  C   LIG    1       -1.986  -0.046  -2.655  0.00  0.00    +0.045 C 
ATOM     11  C   LIG    1       -0.820   0.930  -2.673  0.00  0.00    +0.013 C 
BRANCH   9  12
ATOM     12  O   LIG    1       -3.775  -0.542  -1.119  0.00  0.00    -0.447 OA
BRANCH  12  13
ATOM     13  C   LIG    1       -4.794  -0.126  -0.320  0.00  0.00    +0.401 C 
ATOM     14  N   LIG    1       -5.562  -1.213  -0.009  0.00  0.00    -0.276 N 
ATOM     15  H   LIG    1       -5.230  -2.071  -0.428  0.00  0.00    +0.153 HD
ATOM     16  O   LIG    1       -4.962   1.028   0.040  0.00  0.00    -0.226 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -6.747  -1.266   0.811  0.00  0.00    +0.035 C 
ATOM     18  C   LIG    1       -7.735  -0.122   0.818  0.00  0.00    +0.027 C 
ATOM     19  C   LIG    1       -6.884  -0.381   2.029  0.00  0.00    +0.027 C 
ATOM     20  C   LIG    1       -7.330  -2.659   0.923  0.00  0.00    +0.031 C 
ENDBRANCH  14  17
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   5   7
BRANCH   1  22
ATOM     21  C   LIG    1        4.492   1.812   1.262  0.00  0.00    +0.226 C 
ATOM     22  N   LIG    1        3.878   0.633   0.902  0.00  0.00    -0.269 N 
ATOM     23  H   LIG    1        4.342  -0.257   1.013  0.00  0.00    +0.156 HD
ATOM     24  O   LIG    1        4.009   2.936   1.131  0.00  0.00    -0.275 OA
BRANCH  21  25
ATOM     25  C   LIG    1        5.831   1.626   1.956  0.00  0.00    +0.173 C 
BRANCH  25  30
ATOM     26  C   LIG    1        9.025  -1.715  -0.212  0.00  0.00    +0.069 C 
ATOM     27  C   LIG    1        8.143  -0.584   0.150  0.00  0.00    +0.081 A 
ATOM     28  N   LIG    1        7.979   0.438  -0.698  0.00  0.00    -0.083 NA
ATOM     29  O   LIG    1        7.116   1.316  -0.069  0.00  0.00    -0.359 OA
ATOM     30  C   LIG    1        6.760   0.811   1.142  0.00  0.00    +0.146 A 
ATOM     31  C   LIG    1        7.393  -0.394   1.332  0.00  0.00    +0.071 A 
ENDBRANCH  25  30
ENDBRANCH  21  25
ENDBRANCH   1  22
TORSDOF 7