REMARK  Name = BDB029401
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.677  -0.370   0.070  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        1.622   0.645  -0.177  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        2.966   0.370   0.013  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        4.163   1.255  -0.169  0.00  0.00    +0.133 C 
ATOM      5  C   LIG    1        5.315   0.317   0.212  0.00  0.00    +0.222 C 
ATOM      6  N   LIG    1        4.761  -0.911   0.552  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1        5.318  -1.700   0.842  0.00  0.00    +0.155 HD
ATOM      8  O   LIG    1        6.504   0.589   0.218  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        3.381  -0.887   0.439  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        2.497  -1.911   0.691  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        1.136  -1.641   0.503  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1       -3.500   0.327  -0.388  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1       -3.033  -0.190   0.764  0.00  0.00    -0.240 NA
ATOM     14  C   LIG    1       -1.696  -0.394   0.875  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1       -0.759  -0.118  -0.118  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -1.270   0.409  -1.306  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -2.643   0.627  -1.443  0.00  0.00    +0.044 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -5.690   0.242   0.593  0.00  0.00    +0.127 C 
ATOM     19  N   LIG    1       -4.877   0.533  -0.577  0.00  0.00    -0.332 N 
ATOM     20  H   LIG    1       -5.025   1.479  -0.913  0.00  0.00    +0.147 HD
ENDBRANCH  12  19
ENDBRANCH   1  15
TORSDOF 2