REMARK  Name = BDB029520
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.881   0.335   0.882  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -4.762   0.512   0.438  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.700  -0.342   0.608  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1       -3.808  -1.206   1.125  0.00  0.00    +0.151 HD
ATOM      5  C   LIG    1       -2.487   0.134  -0.033  0.00  0.00    +0.115 C 
ATOM      6  C   LIG    1       -1.385   0.393   0.997  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1       -0.012   0.411   0.332  0.00  0.00    +0.110 C 
ATOM      8  N   LIG    1        0.264  -0.843  -0.375  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1        1.529  -1.428  -0.456  0.00  0.00    +0.247 C 
ATOM     10  O   LIG    1        1.704  -2.604  -0.768  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -0.877  -1.642  -0.809  0.00  0.00    +0.110 C 
ATOM     12  C   LIG    1       -2.065  -0.772  -1.195  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1       -3.022   1.473  -0.579  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1       -2.369   2.319  -1.172  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -4.346   1.572  -0.290  0.00  0.00    -0.238 N 
ATOM     16  H   LIG    1       -4.930   2.358  -0.522  0.00  0.00    +0.159 HD
ENDROOT
BRANCH   9  17
ATOM     17  C   LIG    1        2.724  -0.606  -0.153  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        2.943   0.611  -0.807  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        4.087   1.356  -0.516  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        5.013   0.879   0.413  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.806  -0.348   1.045  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        3.665  -1.097   0.758  0.00  0.00    +0.013 A 
ENDBRANCH   9  17
TORSDOF 1