REMARK  Name = BDB031570
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.290   0.011   0.395  0.00  0.00    -0.303 N 
ATOM      2  H   LIG    1       -1.400  -0.734   1.077  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        0.006   0.288  -0.010  0.00  0.00    +0.221 C 
ATOM      4  O   LIG    1        0.316   1.364  -0.510  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -5.776  -0.525  -1.151  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -4.795   0.078  -0.727  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -4.673   0.368   0.607  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -5.410  -0.028   1.176  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -3.477   0.540   1.255  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -3.335   0.159   2.417  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -2.301   1.065   0.423  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -2.766   1.514  -0.962  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -3.628   0.443  -1.611  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        0.971  -0.872   0.219  0.00  0.00    +0.105 C 
ATOM     15  C   LIG    1        2.335  -0.687  -0.385  0.00  0.00    -0.032 A 
ATOM     16  C   LIG    1        3.277  -0.356   0.595  0.00  0.00    -0.043 A 
ATOM     17  C   LIG    1        4.601  -0.121   0.264  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        4.980  -0.240  -1.075  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.037  -0.576  -2.058  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        2.635  -0.250   1.940  0.00  0.00    +0.036 C 
ATOM     21  C   LIG    1        2.702  -0.800  -1.717  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        1.326  -1.024   1.714  0.00  0.00    +0.022 C 
ENDBRANCH   3  14
TORSDOF 2