Документ взят из кэша поисковой машины. Адрес оригинального документа : http://kodomo.fbb.msu.ru/~blackdaffodil/term6/Practice10/nag3.pdbqt Дата изменения: Tue Apr 30 01:46:48 2013 Дата индексирования: Fri Feb 28 07:02:42 2014 Кодировка:

REMARK 6 active torsions:
REMARK status: ('A' for Active; 'I' for Inactive)
REMARK I between atoms: C_1 and N_4
REMARK I between atoms: C_1 and N_2
REMARK 1 A between atoms: N_4 and C_5
REMARK 2 A between atoms: C_6 and O_7
REMARK 3 A between atoms: C_9 and C_10
REMARK 4 A between atoms: C_10 and O_11
REMARK 5 A between atoms: C_12 and O_13
REMARK 6 A between atoms: C_14 and O_15
ROOT
HETATM 1 C LIG 1 4.959 -2.195 -0.991 1.00 0.00 0.172 C
HETATM 2 C LIG 1 4.609 -3.697 -0.867 1.00 0.00 0.282 C
HETATM 3 O LIG 1 5.752 -4.545 -0.799 1.00 0.00 -0.349 OA
HETATM 4 C LIG 1 6.716 -4.232 0.220 1.00 0.00 0.179 C
HETATM 5 C LIG 1 7.148 -2.758 0.176 1.00 0.00 0.180 C
HETATM 6 C LIG 1 5.952 -1.792 0.117 1.00 0.00 0.177 C
ENDROOT
BRANCH 1 7
HETATM 7 N LIG 1 5.466 -1.851 -2.321 1.00 0.00 -0.331 N
HETATM 8 C LIG 1 5.404 -0.559 -2.749 1.00 0.00 0.314 C
HETATM 9 O LIG 1 4.851 0.354 -2.155 1.00 0.00 -0.248 OA
HETATM 10 N LIG 1 6.036 -0.377 -3.932 1.00 0.00 -0.352 N
HETATM 11 H LIG 1 6.014 -1.144 -4.588 1.00 0.00 0.160 HD
HETATM 12 H LIG 1 5.903 0.543 -4.332 1.00 0.00 0.160 HD
HETATM 13 H LIG 1 6.330 -2.320 -2.579 1.00 0.00 0.164 HD
ENDBRANCH 1 7
BRANCH 6 14
HETATM 14 O LIG 1 5.268 -1.763 1.378 1.00 0.00 -0.391 OA
HETATM 15 H LIG 1 4.856 -0.878 1.443 1.00 0.00 0.210 HD
ENDBRANCH 6 14
BRANCH 2 16
HETATM 16 O LIG 1 3.725 -3.966 0.214 1.00 0.00 -0.369 OA
HETATM 17 H LIG 1 3.876 -3.280 0.891 1.00 0.00 0.212 HD
ENDBRANCH 2 16
BRANCH 5 18
HETATM 18 O LIG 1 7.950 -2.543 -1.002 1.00 0.00 -0.390 OA
HETATM 19 H LIG 1 8.740 -3.110 -0.925 1.00 0.00 0.210 HD
ENDBRANCH 5 18
BRANCH 4 20
HETATM 20 C LIG 1 6.273 -4.710 1.611 1.00 0.00 0.198 C
BRANCH 20 21
HETATM 21 O LIG 1 5.915 -6.090 1.551 1.00 0.00 -0.398 OA
HETATM 22 H LIG 1 5.250 -6.154 0.836 1.00 0.00 0.209 HD
ENDBRANCH 20 21
ENDBRANCH 4 20
TORSDOF 6