REMARK  Name = BDB047602
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.578  -1.516   0.123  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        2.743  -0.654  -0.064  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1        1.302  -0.813   0.126  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1        0.569  -1.907   0.538  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -0.824  -1.774   0.633  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -1.413  -0.531   0.303  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -0.665   0.580  -0.116  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -1.576   1.640  -0.357  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -2.841   1.169  -0.087  0.00  0.00    +0.083 A 
ATOM     10  N   LIG    1       -2.734  -0.139   0.310  0.00  0.00    -0.361 N 
ATOM     11  H   LIG    1       -3.509  -0.733   0.571  0.00  0.00    +0.165 HD
ATOM     12  C   LIG    1        0.712   0.400  -0.194  0.00  0.00    +0.061 A 
ATOM     13  C   LIG    1        1.769   1.323  -0.585  0.00  0.00    +0.260 A 
ATOM     14  O   LIG    1        1.626   2.478  -0.930  0.00  0.00    -0.267 OA
ATOM     15  N   LIG    1        2.936   0.627  -0.482  0.00  0.00    -0.289 N 
ATOM     16  H   LIG    1        3.840   1.018  -0.692  0.00  0.00    +0.172 HD
ENDROOT
TORSDOF 0