REMARK  Name = BDB032543
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.191  -0.307   0.299  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        1.478  -0.497  -0.876  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        1.892  -0.844  -1.965  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.078  -0.174  -0.580  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        0.009   0.285   0.736  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1       -1.204   0.664   1.281  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.338   0.566   0.470  0.00  0.00    +0.163 A 
ATOM      8  O   LIG    1       -3.538   0.922   1.035  0.00  0.00    -0.476 OA
ATOM      9  C   LIG    1       -4.704   0.517   0.265  0.00  0.00    +0.169 C 
ATOM     10  C   LIG    1       -5.294  -0.874   0.610  0.00  0.00    +0.133 C 
ATOM     11  N   LIG    1       -6.269  -0.220   1.510  0.00  0.00    -0.308 NA
ATOM     12  H   LIG    1       -5.943  -0.187   2.479  0.00  0.00    +0.122 HD
ATOM     13  C   LIG    1       -6.053   1.057   0.797  0.00  0.00    +0.133 C 
ATOM     14  C   LIG    1       -4.468   0.780  -1.214  0.00  0.00    +0.279 C 
ATOM     15  O   LIG    1       -3.341   0.031  -1.694  0.00  0.00    -0.484 OA
ATOM     16  C   LIG    1       -2.252   0.123  -0.866  0.00  0.00    +0.163 A 
ATOM     17  C   LIG    1       -1.028  -0.267  -1.403  0.00  0.00    +0.062 A 
ATOM     18  C   LIG    1        1.371   0.294   1.342  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  25
ATOM     19  O   LIG    1        7.551  -0.053  -0.955  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        6.374  -0.163  -0.625  0.00  0.00    +0.219 C 
ATOM     21  N   LIG    1        5.521   0.911  -0.684  0.00  0.00    -0.255 N 
ATOM     22  H   LIG    1        5.915   1.770  -1.042  0.00  0.00    +0.158 HD
ATOM     23  C   LIG    1        4.231   0.993  -0.212  0.00  0.00    +0.240 C 
ATOM     24  O   LIG    1        3.648   2.077  -0.183  0.00  0.00    -0.273 OA
ATOM     25  C   LIG    1        3.648  -0.298   0.382  0.00  0.00    +0.163 C 
ATOM     26  C   LIG    1        4.309  -1.525  -0.247  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1        5.814  -1.443  -0.050  0.00  0.00    +0.098 C 
ENDBRANCH   1  25
TORSDOF 1