REMARK  Name = BDB029712
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        4.155   2.468  -1.647  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        3.550   1.699  -0.924  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.609   0.793  -1.348  0.00  0.00    -0.284 N 
ATOM      4  H   LIG    1        2.371   0.706  -2.329  0.00  0.00    +0.151 HD
ATOM      5  C   LIG    1        2.068   0.013  -0.260  0.00  0.00    +0.129 C 
ATOM      6  C   LIG    1        0.561   0.167  -0.054  0.00  0.00    +0.143 C 
ATOM      7  N   LIG    1        0.094  -1.162   0.328  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1       -1.209  -1.564   0.552  0.00  0.00    +0.247 C 
ATOM      9  O   LIG    1       -1.533  -2.727   0.770  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        1.192  -2.105   0.420  0.00  0.00    +0.111 C 
ATOM     11  C   LIG    1        2.303  -1.486  -0.414  0.00  0.00    +0.056 C 
ATOM     12  C   LIG    1        2.862   0.615   0.907  0.00  0.00    +0.246 C 
ATOM     13  O   LIG    1        2.788   0.292   2.083  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        3.681   1.585   0.417  0.00  0.00    -0.238 N 
ATOM     15  H   LIG    1        4.319   2.133   0.969  0.00  0.00    +0.159 HD
ENDROOT
BRANCH   8  16
ATOM     16  C   LIG    1       -2.269  -0.538   0.491  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1       -3.228  -0.618  -0.521  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1       -4.241   0.339  -0.587  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -4.298   1.360   0.364  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -3.351   1.424   1.388  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -2.336   0.470   1.459  0.00  0.00    +0.013 A 
ENDBRANCH   8  16
TORSDOF 1