REMARK  Name = BDB029383
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.358   0.181  -0.420  0.00  0.00    -0.308 N 
ATOM      2  H   LIG    1       -0.072  -0.786  -0.373  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        0.586   1.182  -0.511  0.00  0.00    +0.244 C 
ATOM      4  O   LIG    1        0.308   2.373  -0.584  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.010   0.749  -0.546  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        2.449  -0.393   0.138  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        3.790  -0.700   0.046  0.00  0.00    +0.038 A 
ATOM      8  N   LIG    1        4.454  -1.767   0.630  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1        4.042  -2.478   1.215  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1        5.809  -1.750   0.319  0.00  0.00    +0.222 C 
ATOM     11  C   LIG    1        6.065  -0.530  -0.572  0.00  0.00    +0.133 C 
ATOM     12  O   LIG    1        6.635  -2.566   0.694  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        4.695   0.073  -0.680  0.00  0.00    -0.017 A 
ATOM     14  C   LIG    1        4.280   1.209  -1.347  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        2.925   1.548  -1.272  0.00  0.00    +0.013 A 
ENDBRANCH   3   5
BRANCH   1  20
ATOM     16  C   LIG    1       -5.818   0.029   1.085  0.00  0.00    +0.104 C 
ATOM     17  N   LIG    1       -4.385  -0.168   0.861  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -4.117  -0.404  -0.564  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1       -2.632  -0.674  -0.799  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -1.778   0.480  -0.273  0.00  0.00    +0.076 C 
ATOM     21  C   LIG    1       -2.124   0.771   1.189  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1       -3.626   0.988   1.360  0.00  0.00    +0.086 C 
ENDBRANCH   1  20
TORSDOF 2