REMARK  Name = BDB029381
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.312  -2.544   0.764  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        5.469  -1.692   0.539  0.00  0.00    +0.222 C 
ATOM      3  N   LIG    1        4.100  -1.835   0.736  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1        3.692  -2.683   1.098  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1        3.418  -0.682   0.381  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        4.324   0.279  -0.066  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        3.890   1.528  -0.464  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        2.517   1.789  -0.409  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        1.603   0.803   0.030  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1        2.059  -0.456   0.446  0.00  0.00    +0.036 A 
ATOM     11  C   LIG    1        5.714  -0.281  -0.007  0.00  0.00    +0.133 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        0.159   1.160   0.064  0.00  0.00    +0.244 C 
ATOM     13  N   LIG    1       -0.734   0.133  -0.166  0.00  0.00    -0.308 N 
ATOM     14  H   LIG    1       -0.393  -0.798  -0.357  0.00  0.00    +0.149 HD
ATOM     15  O   LIG    1       -0.177   2.321   0.266  0.00  0.00    -0.270 OA
BRANCH  13  16
ATOM     16  C   LIG    1       -2.174   0.337  -0.081  0.00  0.00    +0.073 C 
ATOM     17  C   LIG    1       -2.919  -0.681  -0.959  0.00  0.00    +0.022 C 
ATOM     18  C   LIG    1       -4.355  -0.951  -0.503  0.00  0.00    +0.002 C 
ATOM     19  C   LIG    1       -4.952   0.234   0.242  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -4.146   0.581   1.495  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1       -2.653   0.266   1.371  0.00  0.00    +0.022 C 
ENDBRANCH  13  16
ENDBRANCH   9  12
TORSDOF 2