REMARK  Name = BDB029518
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.037   0.219  -2.903  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        5.412  -0.080  -1.903  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        4.045  -0.012  -1.781  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1        3.474   0.270  -2.569  0.00  0.00    +0.151 HD
ATOM      5  C   LIG    1        3.579  -0.464  -0.484  0.00  0.00    +0.115 C 
ATOM      6  C   LIG    1        2.728  -1.726  -0.578  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1        1.331  -1.418  -1.100  0.00  0.00    +0.110 C 
ATOM      8  N   LIG    1        0.690  -0.330  -0.360  0.00  0.00    -0.301 N 
ATOM      9  C   LIG    1       -0.710  -0.375  -0.268  0.00  0.00    +0.223 C 
ATOM     10  O   LIG    1       -1.344  -1.311  -0.764  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1        1.475   0.901  -0.244  0.00  0.00    +0.110 C 
ATOM     12  C   LIG    1        2.873   0.639   0.299  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        4.939  -0.786   0.163  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1        5.118  -1.205   1.297  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        5.925  -0.531  -0.738  0.00  0.00    -0.238 N 
ATOM     16  H   LIG    1        6.907  -0.669  -0.570  0.00  0.00    +0.159 HD
ENDROOT
BRANCH   9  17
ATOM     17  C   LIG    1       -1.433   0.772   0.466  0.00  0.00    +0.105 C 
ATOM     18  C   LIG    1       -2.680   0.296   1.202  0.00  0.00    -0.032 A 
ATOM     19  C   LIG    1       -3.974   0.646   0.774  0.00  0.00    -0.043 A 
ATOM     20  C   LIG    1       -5.087   0.191   1.498  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -4.924  -0.619   2.622  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.647  -0.977   3.039  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.202   1.546  -0.413  0.00  0.00    +0.035 C 
ATOM     24  C   LIG    1       -2.986   1.654  -1.328  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -2.532  -0.523   2.336  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -1.724   1.921  -0.514  0.00  0.00    +0.018 C 
ENDBRANCH   9  17
TORSDOF 1