REMARK  Name = BDB062207
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.738   0.114   0.708  0.00  0.00    +0.192 C 
ATOM      2  N   LIG    1       -1.165   1.277   1.259  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -2.080   1.456   1.632  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1       -0.127   2.147   1.325  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1       -0.110   3.276   1.771  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.983   1.359   0.723  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.217   1.862   0.598  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.522   0.105   0.380  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.394   1.176   0.040  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        4.655   1.470   0.582  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        5.763   0.855   0.035  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        7.049   1.023   0.446  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        7.742   0.151  -0.471  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        6.867  -0.510  -1.408  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        5.661  -0.018  -1.021  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        4.445  -0.322  -1.591  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        3.305   0.288  -1.056  0.00  0.00    +0.012 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.559  -0.961   0.561  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1       -1.083  -1.783   0.204  0.00  0.00    +0.155 HD
BRANCH  18  23
ATOM     20  C   LIG    1       -5.636   1.292  -1.205  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -4.976   0.119  -0.541  0.00  0.00    -0.049 A 
ATOM     22  C   LIG    1       -3.595   0.128  -0.296  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1       -2.943  -0.971   0.288  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1       -3.706  -2.111   0.619  0.00  0.00    -0.029 A 
ATOM     25  C   LIG    1       -3.074  -3.320   1.255  0.00  0.00    +0.045 C 
ATOM     26  C   LIG    1       -5.085  -2.124   0.356  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.713  -1.020  -0.220  0.00  0.00    +0.004 A 
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 3