! Topology definitions for arachidonic acid (ARAC) ! Use at your own risk! ! Compiled by: ! Jan Saam ! Humboldt-University Berlin ! Medizinische Fakultät (Charité) ! Institute for Biochemisty ! Monbijoustr. 2 ! 10117 Berlin ! Germany ! phone: +49 30 450 528 449 ! email: saam@charite.de RESI ARAC -1.00 ! Arachidonic acid ! based on methylsulfate GROUP O1 O2 (-) ATOM C1 CL 0.62 ! \\ / ATOM O1 OCL -0.76 ! C1 ATOM O2 OCL -0.76 ! | ! | ATOM C2 CTL2 -0.28 ! H2A-C2-H2B ATOM H2A HAL2 0.09 ! | ATOM H2B HAL2 0.09 ! | GROUP ! | ATOM C3 CTL2 -0.18 ! H3A-C3-H3B ATOM H3A HAL2 0.09 ! | ATOM H3B HAL2 0.09 ! | GROUP ! | ATOM C4 CTL2 -0.18 ! H4A-C4-H4B ATOM H4A HAL2 0.09 ! | ATOM H4B HAL2 0.09 ! | GROUP ! | ATOM C5 CEL1 -0.15 ! | ATOM H5 HEL1 0.15 ! H5---C5 GROUP ! || (CIS) ATOM C6 CEL1 -0.15 ! || ATOM H6 HEL1 0.15 ! H6---C6 GROUP ! | ATOM C7 CTL2 -0.18 ! H7A-C7-H7B ATOM H7A HAL2 0.09 ! | ATOM H7B HAL2 0.09 ! | GROUP ! | ATOM C8 CEL1 -0.15 ! | ATOM H8 HEL1 0.15 ! H8---C8 GROUP ! || (CIS) ATOM C9 CEL1 -0.15 ! || ATOM H9 HEL1 0.15 ! H9---C9 GROUP ! | ATOM C10 CTL2 -0.18 ! H10A-C10-H10B ATOM H10A HAL2 0.09 ! | ATOM H10B HAL2 0.09 ! | GROUP ! | ATOM C11 CEL1 -0.15 ! | ATOM H11 HEL1 0.15 ! H11---C11 GROUP ! || (CIS) ATOM C12 CEL1 -0.15 ! || ATOM H12 HEL1 0.15 ! H12---C12 GROUP ! | ATOM C13 CTL2 -0.18 ! H13A-C13-H13B (H13B can be abstracted by FEL) ATOM H13A HAL2 0.09 ! | ATOM H13B HAL2 0.09 ! | GROUP ! | ATOM C14 CEL1 -0.15 ! | ATOM H14 HEL1 0.15 ! H14---C14 GROUP ! || (CIS) ATOM C15 CEL1 -0.15 ! || ATOM H15 HEL1 0.15 ! H15---C15 GROUP ! | ATOM C16 CTL2 -0.18 ! H16A-C16-H16B ATOM H16A HAL2 0.09 ! | ATOM H16B HAL2 0.09 ! | GROUP ! | ATOM C17 CTL2 -0.18 ! H17A-C17-H17B ATOM H17A HAL2 0.09 ! | ATOM H17B HAL2 0.09 ! | GROUP ! | ATOM C18 CTL2 -0.18 ! H18A-C18-H18B ATOM H18A HAL2 0.09 ! | ATOM H18B HAL2 0.09 ! | GROUP ! | ATOM C19 CTL2 -0.18 ! H19A-C19-H19B ATOM H19A HAL2 0.09 ! | ATOM H19B HAL2 0.09 ! | GROUP ! | ATOM C20 CTL3 -0.27 ! H20A-C20-H20B ATOM H20A HAL3 0.09 ! | ATOM H20B HAL3 0.09 ! H20C ATOM H20C HAL3 0.09 ! BOND C1 O1 C1 O2 BOND C1 C2 C2 H2A C2 H2B BOND C2 C3 C3 H3A C3 H3B BOND C3 C4 C4 H4A C4 H4B BOND C4 C5 C5 H5 BOND C5 C6 C6 H6 BOND C6 C7 C7 H7A C7 H7B BOND C7 C8 C8 H8 BOND C8 C9 C9 H9 BOND C9 C10 C10 H10A C10 H10B BOND C10 C11 C11 H11 BOND C11 C12 C12 H12 BOND C12 C13 C13 H13A C13 H13B BOND C13 C14 C14 H14 BOND C14 C15 C15 H15 BOND C15 C16 C16 H16A C16 H16B BOND C16 C17 C17 H17A C17 H17B BOND C17 C18 C18 H18A C18 H18B BOND C18 C19 C19 H19A C19 H19B BOND C19 C20 C20 H20A C20 H20B C20 H20C IMPR C1 O1 C2 O2 IMPR C4 C5 C6 C7 IMPR C7 C8 C9 C10 IMPR C10 C11 C12 C13 IMPR C13 C14 C15 C16 ACCE O1 ACCE O2 PATCH FIRST NONE LAST NONE