REMARK  Name = BDB032546
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.560   0.672  -0.418  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1        0.979   1.137  -1.589  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        1.511   1.734  -2.504  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -0.440   0.771  -1.533  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -1.449   1.052  -2.436  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1       -2.729   0.582  -2.136  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1       -2.960  -0.150  -0.958  0.00  0.00    +0.163 A 
ATOM      8  O   LIG    1       -4.257  -0.538  -0.734  0.00  0.00    -0.479 OA
ATOM      9  C   LIG    1       -4.468  -1.092   0.580  0.00  0.00    +0.236 C 
ATOM     10  C   LIG    1       -3.278  -1.940   1.018  0.00  0.00    +0.276 C 
ATOM     11  O   LIG    1       -2.073  -1.169   1.072  0.00  0.00    -0.484 OA
ATOM     12  C   LIG    1       -1.910  -0.444  -0.075  0.00  0.00    +0.167 A 
ATOM     13  C   LIG    1       -0.651   0.038  -0.367  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1        0.629  -0.119   0.379  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1  21
ATOM     15  O   LIG    1        6.546  -0.822   1.295  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        5.540  -0.331   0.792  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1        4.905  -0.941  -0.261  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1        5.282  -1.845  -0.513  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1        3.599  -0.735  -0.642  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1        2.987  -1.608  -1.252  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1        3.006   0.627  -0.241  0.00  0.00    +0.163 C 
ATOM     22  C   LIG    1        3.429   0.952   1.188  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1        4.948   0.973   1.273  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
BRANCH   9  24
ATOM     24  C   LIG    1       -4.793   0.039   1.565  0.00  0.00    +0.203 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -6.006   0.687   1.180  0.00  0.00    -0.391 OA
ATOM     26  H   LIG    1       -5.894   0.947   0.246  0.00  0.00    +0.210 HD
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 3