REMARK  Name = BDB052297
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.186  -0.631  -0.025  0.00  0.00    -0.239 N 
ATOM      2  N   LIG    1        2.930   0.465  -0.353  0.00  0.00    -0.166 NA
ATOM      3  C   LIG    1        4.210   0.147  -0.072  0.00  0.00    +0.105 A 
ATOM      4  C   LIG    1        4.247  -1.194   0.447  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        5.362  -1.914   0.862  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        6.541  -1.157   0.718  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        6.569   0.179   0.209  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        5.408   0.882  -0.205  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1        2.963  -1.658   0.466  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -2.024  -0.561  -0.583  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1       -1.399  -1.702  -0.062  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -0.012  -1.737   0.124  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        0.771  -0.622  -0.205  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1        0.148   0.524  -0.719  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -1.237   0.552  -0.903  0.00  0.00    +0.007 A 
BRANCH  10  16
ATOM     16  C   LIG    1       -3.522  -0.518  -0.780  0.00  0.00    +0.116 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -4.143   0.369   0.200  0.00  0.00    -0.310 NA
ATOM     18  H   LIG    1       -3.913   0.049   1.139  0.00  0.00    +0.122 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -6.053   1.704   0.846  0.00  0.00    +0.023 C 
ATOM     20  C   LIG    1       -5.594   0.487   0.040  0.00  0.00    +0.048 C 
ATOM     21  C   LIG    1       -6.339  -0.761   0.518  0.00  0.00    +0.023 C 
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   8  22
ATOM     22  C   LIG    1        5.492   2.258  -0.722  0.00  0.00    +0.244 C 
ATOM     23  O   LIG    1        6.567   2.839  -0.812  0.00  0.00    -0.270 OA
ATOM     24  N   LIG    1        4.326   2.859  -1.096  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1        4.351   3.804  -1.451  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1        3.436   2.374  -1.016  0.00  0.00    +0.145 HD
ENDBRANCH   8  22
TORSDOF 5