REMARK  Name = BDB010828
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.609   2.567  -0.113  0.00  0.00    +0.179 A 
ATOM      2  N   LIG    1        1.065   1.361   0.305  0.00  0.00    -0.317 N 
ATOM      3  C   LIG    1       -0.295   1.542   0.474  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -0.502   2.859   0.095  0.00  0.00    +0.184 A 
ATOM      5  N   LIG    1       -1.692   3.477   0.095  0.00  0.00    -0.203 NA
ATOM      6  C   LIG    1       -2.673   2.674   0.524  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -2.575   1.394   0.924  0.00  0.00    -0.208 NA
ATOM      8  C   LIG    1       -1.377   0.774   0.906  0.00  0.00    +0.149 A 
ATOM      9  N   LIG    1        0.656   3.470  -0.271  0.00  0.00    -0.205 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -4.023   3.280   0.545  0.00  0.00    +0.220 A 
ATOM     11  N   LIG    1       -4.173   4.562   0.172  0.00  0.00    -0.269 N 
ATOM     12  H   LIG    1       -3.452   5.196  -0.135  0.00  0.00    +0.174 HD
ATOM     13  C   LIG    1       -5.476   4.850   0.280  0.00  0.00    +0.440 A 
ATOM     14  O   LIG    1       -5.996   5.923   0.025  0.00  0.00    -0.221 OA
ATOM     15  O   LIG    1       -6.133   3.729   0.725  0.00  0.00    -0.295 OA
ATOM     16  N   LIG    1       -5.135   2.713   0.887  0.00  0.00    -0.051 NA
ENDBRANCH   6  10
BRANCH   1  18
ATOM     17  C   LIG    1        3.290   4.300  -0.831  0.00  0.00    +0.095 C 
ATOM     18  C   LIG    1        3.008   2.890  -0.369  0.00  0.00    +0.195 C 
ATOM     19  O   LIG    1        3.936   2.093  -0.230  0.00  0.00    -0.289 OA
ENDBRANCH   1  18
BRANCH   8  20
ATOM     20  N   LIG    1       -1.281  -0.538   1.335  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1       -0.477  -1.053   1.014  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.498  -1.349   1.435  0.00  0.00    +0.072 C 
ATOM     23  C   LIG    1       -2.254  -2.403   2.520  0.00  0.00    +0.028 C 
BRANCH  22  24
ATOM     24  C   LIG    1       -2.788  -2.054   0.108  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1       -3.338  -1.194  -1.068  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -4.179  -2.420  -1.473  0.00  0.00    +0.001 C 
ATOM     27  C   LIG    1       -4.119  -2.853   0.005  0.00  0.00    +0.005 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH   8  20
BRANCH   2  28
ATOM     28  C   LIG    1        1.799   0.134   0.579  0.00  0.00    +0.127 C 
BRANCH  28  29
ATOM     29  C   LIG    1        1.672  -0.932  -0.537  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1        2.059  -2.318  -0.005  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1        3.547  -2.446   0.330  0.00  0.00    +0.003 C 
ATOM     32  C   LIG    1        4.463  -1.642  -0.607  0.00  0.00    -0.014 C 
ATOM     33  C   LIG    1        5.807  -2.345  -0.790  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1        3.790  -1.378  -1.954  0.00  0.00    +0.003 C 
ATOM     35  C   LIG    1        2.479  -0.599  -1.808  0.00  0.00    +0.005 C 
ENDBRANCH  28  29
ENDBRANCH   2  28
TORSDOF 7