REMARK  Name = BDB029363
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.126  -0.193  -0.982  0.00  0.00    +0.022 C 
ATOM      2  C   LIG    1       -3.279   0.615  -0.015  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1       -1.799   0.494  -0.264  0.00  0.00    -0.015 A 
ATOM      4  C   LIG    1       -1.179  -0.014   0.875  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1        0.182  -0.228   0.951  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        0.968   0.086  -0.172  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1        0.331   0.608  -1.328  0.00  0.00    +0.009 A 
ATOM      8  N   LIG    1       -2.126  -0.255   1.858  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1       -1.943  -0.634   2.775  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1       -1.053   0.815  -1.381  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -3.404   0.069   1.421  0.00  0.00    +0.224 C 
ATOM     12  O   LIG    1       -4.429  -0.062   2.069  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        2.425  -0.120  -0.150  0.00  0.00    -0.015 A 
ATOM     14  C   LIG    1        3.308   0.927  -0.436  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        4.673   0.685  -0.400  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1        5.215  -0.514  -0.105  0.00  0.00    -0.263 NA
ATOM     17  C   LIG    1        4.353  -1.515   0.166  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        2.974  -1.370   0.159  0.00  0.00    +0.028 A 
ENDBRANCH   6  13
TORSDOF 1