Документ взят из кэша поисковой машины. Адрес оригинального документа : http://kodomo.cmm.msu.ru/~julia_p/pr10/nag2.pdbqt Дата изменения: Mon May 23 16:41:52 2011 Дата индексирования: Tue Oct 2 07:43:06 2012 Кодировка:

REMARK 6 active torsions:
REMARK status: ('A' for Active; 'I' for Inactive)
REMARK 1 A between atoms: N_1 and C_2
REMARK 2 A between atoms: C_3 and O_12
REMARK 3 A between atoms: C_4 and O_11
REMARK 4 A between atoms: C_5 and C_9
REMARK 5 A between atoms: C_7 and O_8
REMARK 6 A between atoms: C_9 and O_10
ROOT
HETATM 1 C LIG 1 2.411 -0.090 -0.029 1.00 0.00 0.303 C
HETATM 2 C LIG 1 2.938 -1.454 -0.507 1.00 0.00 0.187 C
HETATM 3 C LIG 1 2.700 -1.615 -2.012 1.00 0.00 0.180 C
HETATM 4 C LIG 1 3.285 -0.430 -2.801 1.00 0.00 0.179 C
HETATM 5 O LIG 1 2.845 0.831 -2.276 1.00 0.00 -0.349 OA
HETATM 6 C LIG 1 3.047 1.035 -0.883 1.00 0.00 0.292 C
ENDROOT
BRANCH 1 7
HETATM 7 N LIG 1 2.645 0.075 1.423 1.00 0.00 0.090 N
HETATM 8 H LIG 1 3.632 0.323 1.547 1.00 0.00 0.313 HD
HETATM 9 H LIG 1 2.550 -0.838 1.875 1.00 0.00 0.313 HD
ENDBRANCH 1 7
BRANCH 6 10
HETATM 10 O LIG 1 4.433 1.149 -0.596 1.00 0.00 -0.369 OA
HETATM 11 H LIG 1 4.670 2.060 -0.841 1.00 0.00 0.212 HD
ENDBRANCH 6 10
BRANCH 2 12
HETATM 12 O LIG 1 2.279 -2.536 0.181 1.00 0.00 -0.391 OA
HETATM 13 H LIG 1 1.343 -2.292 0.300 1.00 0.00 0.210 HD
ENDBRANCH 2 12
BRANCH 3 14
HETATM 14 O LIG 1 3.241 -2.868 -2.451 1.00 0.00 -0.390 OA
HETATM 15 H LIG 1 2.990 -3.517 -1.760 1.00 0.00 0.210 HD
ENDBRANCH 3 14
BRANCH 4 16
HETATM 16 C LIG 1 4.814 -0.505 -2.978 1.00 0.00 0.198 C
BRANCH 16 17
HETATM 17 O LIG 1 5.189 -1.585 -3.832 1.00 0.00 -0.398 OA
HETATM 18 H LIG 1 4.693 -2.371 -3.516 1.00 0.00 0.209 HD
ENDBRANCH 16 17
ENDBRANCH 4 16
TORSDOF 6