625

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N1	trip	1.14Å	1.16Å
C1	C23	sing	1.47Å	1.48Å
O1	C17	sing	1.36Å	1.38Å
O1	C26	sing	1.43Å	1.43Å
CL1	C18	sing	1.74Å	1.73Å
C2	C3	doub	1.38Å	1.40Å	Aromatic
C2	C5	sing	1.38Å	1.39Å	Aromatic
N2	C21	doub	1.32Å	1.35Å	Aromatic
N2	C22	sing	1.32Å	1.35Å	Aromatic
C3	C10	sing	1.38Å	1.39Å	Aromatic
N3	C19	sing	1.37Å	1.40Å	Aromatic
N3	C20	sing	1.37Å	1.39Å	Aromatic
N3	C24	sing	1.47Å	1.46Å
C4	C13	doub	1.39Å	1.39Å	Aromatic
C4	C14	sing	1.38Å	1.39Å	Aromatic
N4	C22	sing	1.39Å	1.38Å
C5	C16	doub	1.40Å	1.40Å	Aromatic
C6	C8	doub	1.38Å	1.40Å	Aromatic
C6	C15	sing	1.40Å	1.40Å	Aromatic
C7	C9	sing	1.38Å	1.40Å	Aromatic
C7	C15	doub	1.40Å	1.40Å	Aromatic
C8	C17	sing	1.39Å	1.40Å	Aromatic
C9	C17	doub	1.39Å	1.40Å	Aromatic
C10	C18	doub	1.38Å	1.40Å	Aromatic
C11	C12	sing	1.40Å	1.41Å	Aromatic
C11	C19	doub	1.36Å	1.39Å	Aromatic
C12	C20	doub	1.36Å	1.38Å	Aromatic
C13	C21	sing	1.38Å	1.39Å	Aromatic
C14	C22	doub	1.39Å	1.39Å	Aromatic
C15	C19	sing	1.48Å	1.47Å	Aromatic
C16	C18	sing	1.40Å	1.41Å	Aromatic
C16	C20	sing	1.48Å	1.47Å	Aromatic
C21	C24	sing	1.51Å	1.50Å
C23	C25	sing	1.53Å	1.53Å
C25	C26	sing	1.53Å	1.53Å
C2	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
N4	HN4	sing	0.97Å	1.00Å
N4	HN4A	sing	0.97Å	1.00Å
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
C23	H23	sing	1.09Å	1.10Å
C23	H23A	sing	1.09Å	1.10Å
C24	H24	sing	1.09Å	1.10Å
C24	H24A	sing	1.09Å	1.10Å
C25	H25	sing	1.09Å	1.10Å
C25	H25A	sing	1.09Å	1.10Å
C26	H26	sing	1.09Å	1.10Å
C26	H26A	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N1	C1	C23	178.2°	179.9°
C1	C23	C25	113.2°	109.4°
C1	C23	H23	108.2°	109.5°
C1	C23	H23A	108.2°	109.5°
C17	O1	C26	119.1°	117.0°
O1	C17	C8	115.6°	119.9°
O1	C17	C9	125.7°	119.9°
O1	C26	C25	107.0°	109.4°
O1	C26	H26	110.3°	109.5°
O1	C26	H26A	110.3°	109.4°
CL1	C18	C10	116.8°	120.1°
CL1	C18	C16	122.7°	120.1°
C3	C2	C5	120.5°	120.2°
C2	C3	C10	120.1°	120.4°
C3	C2	H2	119.7°	119.9°
C2	C3	H3	119.9°	119.8°
C2	C5	C16	120.2°	119.8°
C5	C2	H2	119.8°	119.9°
C2	C5	H5	119.9°	120.1°
C21	N2	C22	118.3°	121.6°
N2	C21	C13	122.9°	120.8°
N2	C21	C24	117.5°	119.6°
N2	C22	N4	117.8°	119.7°
N2	C22	C14	122.3°	120.6°
C3	C10	C18	119.7°	120.1°
C10	C3	H3	120.0°	119.8°
C3	C10	H10	120.1°	120.0°
C19	N3	C20	110.1°	108.5°
C19	N3	C24	125.8°	125.7°
N3	C19	C11	106.1°	108.1°
N3	C19	C15	126.8°	125.9°
C20	N3	C24	124.1°	125.8°
N3	C20	C12	107.3°	108.1°
N3	C20	C16	125.3°	125.9°
N3	C24	C21	107.0°	109.4°
N3	C24	H24	110.3°	109.5°
N3	C24	H24A	110.3°	109.4°
C13	C4	C14	119.6°	118.5°
C4	C13	C21	118.3°	119.3°
C13	C4	H4	120.2°	120.7°
C4	C13	H13	120.9°	120.3°
C4	C14	C22	118.6°	119.1°
C14	C4	H4	120.2°	120.8°
C4	C14	H14	120.7°	120.5°
N4	C22	C14	119.9°	119.7°
C22	N4	HN4	109.5°	120.0°
C22	N4	HN4A	109.4°	119.9°
C5	C16	C18	118.9°	119.7°
C5	C16	C20	117.1°	120.2°
C16	C5	H5	119.9°	120.1°
C8	C6	C15	121.4°	119.9°
C6	C8	C17	120.3°	120.1°
C8	C6	H6	119.3°	120.1°
C6	C8	H8	119.8°	119.9°
C6	C15	C7	118.1°	119.8°
C6	C15	C19	121.7°	120.1°
C15	C6	H6	119.3°	120.0°
C9	C7	C15	120.6°	119.9°
C7	C9	C17	120.9°	120.1°
C9	C7	H7	119.7°	120.0°
C7	C9	H9	119.6°	120.0°
C7	C15	C19	120.2°	120.1°
C15	C7	H7	119.7°	120.1°
C8	C17	C9	118.7°	120.2°
C17	C8	H8	119.8°	120.0°
C17	C9	H9	119.6°	120.0°
C10	C18	C16	120.5°	119.8°
C18	C10	H10	120.2°	119.9°
C12	C11	C19	108.8°	107.7°
C11	C12	C20	107.7°	107.7°
C12	C11	H11	125.6°	126.2°
C11	C12	H12	126.1°	126.2°
C11	C19	C15	127.1°	125.9°
C19	C11	H11	125.6°	126.2°
C12	C20	C16	127.5°	126.0°
C20	C12	H12	126.2°	126.1°
C13	C21	C24	119.6°	119.6°
C21	C13	H13	120.9°	120.3°
C22	C14	H14	120.7°	120.4°
C18	C16	C20	124.1°	120.1°
C21	C24	H24	110.3°	109.5°
C21	C24	H24A	110.3°	109.4°
C23	C25	C26	112.3°	109.5°
C25	C23	H23	108.3°	109.4°
C25	C23	H23A	108.3°	109.5°
C23	C25	H25	108.5°	109.5°
C23	C25	H25A	108.6°	109.5°
C26	C25	H25	108.5°	109.5°
C26	C25	H25A	108.6°	109.5°
C25	C26	H26	110.3°	109.4°
C25	C26	H26A	110.3°	109.5°
HN4	N4	HN4A	109.5°	120.1°
H23	C23	H23A	110.7°	109.5°
H24	C24	H24A	108.6°	109.5°
H25	C25	H25A	110.4°	109.5°
H26	C26	H26A	108.6°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C1	C23	C25	170.4°	140.9°
N1	C1	C23	H23	69.6°	99.1°
N1	C1	C23	H23A	50.4°	20.9°
C1	C23	C25	H23	120.0°	119.9°
C1	C23	C25	H23A	120.0°	120.0°
C1	C23	C25	C26	97.3°	180.0°
C1	C23	H23	H23A	118.4°	120.0°
C1	C23	C25	H25	142.7°	60.0°
C1	C23	C25	H25A	22.7°	60.0°
O1	C17	C8	C6	180.0°	180.0°
O1	C17	C9	C7	180.0°	180.0°
O1	C17	C8	C9	179.8°	180.0°
C17	O1	C26	C25	177.8°	180.0°
O1	C17	C8	H8	0.0°	0.1°
O1	C17	C9	H9	0.0°	0.0°
C17	O1	C26	H26	62.1°	60.0°
C17	O1	C26	H26A	57.8°	60.0°
C26	O1	C17	C8	60.5°	180.0°
C26	O1	C17	C9	119.3°	0.0°
O1	C26	C25	C23	140.6°	180.0°
O1	C26	C25	H26	120.0°	120.0°
O1	C26	C25	H26A	120.0°	119.9°
O1	C26	C25	H25	99.5°	60.0°
O1	C26	C25	H25A	20.5°	60.0°
O1	C26	H26	H26A	121.0°	120.0°
CL1	C18	C10	C3	179.8°	180.0°
CL1	C18	C16	C5	179.7°	180.0°
CL1	C18	C10	C16	179.9°	180.0°
CL1	C18	C16	C20	0.1°	0.0°
CL1	C18	C10	H10	0.2°	0.0°
C3	C2	C5	H2	180.0°	179.7°
C2	C3	C10	H3	180.0°	179.9°
C3	C2	C5	C16	0.3°	0.0°
C2	C3	C10	C18	0.2°	0.0°
C3	C2	C5	H5	179.7°	180.0°
C2	C3	C10	H10	179.9°	180.0°
C5	C2	C3	C10	0.2°	0.0°
C2	C5	C16	H5	180.0°	180.0°
C2	C5	C16	C18	0.3°	0.0°
C2	C5	C16	C20	179.9°	180.0°
C5	C2	C3	H3	179.8°	180.0°
N2	C21	C24	N3	162.1°	53.3°
N2	C21	C13	C4	0.4°	0.0°
C21	N2	C22	N4	179.3°	180.0°
N2	C21	C13	C24	179.5°	180.0°
C21	N2	C22	C14	0.2°	0.0°
N2	C21	C13	H13	179.6°	179.9°
N2	C21	C24	H24	77.9°	173.3°
N2	C21	C24	H24A	42.1°	66.6°
N2	C22	C14	C4	0.4°	0.0°
N2	C22	N4	C14	179.2°	180.0°
C22	N2	C21	C13	0.3°	0.1°
C22	N2	C21	C24	179.8°	179.9°
N2	C22	N4	HN4	0.0°	0.0°
N2	C22	N4	HN4A	120.0°	180.0°
N2	C22	C14	H14	179.6°	180.0°
C3	C10	C18	H10	180.0°	180.0°
C3	C10	C18	C16	0.2°	0.0°
C10	C3	C2	H2	179.8°	179.7°
C19	N3	C20	C24	179.3°	179.8°
N3	C19	C15	C6	40.4°	22.7°
N3	C19	C15	C7	139.8°	157.3°
N3	C19	C11	C12	0.5°	0.1°
N3	C19	C11	C15	179.8°	179.9°
C19	N3	C20	C12	0.1°	0.0°
C19	N3	C20	C16	179.7°	179.9°
C19	N3	C24	C21	74.9°	96.6°
N3	C19	C11	H11	179.5°	180.0°
C19	N3	C24	H24	165.1°	23.5°
C19	N3	C24	H24A	45.1°	143.5°
N3	C20	C16	C5	118.2°	49.3°
N3	C20	C12	C11	0.4°	0.0°
C20	N3	C19	C11	0.2°	0.0°
N3	C20	C12	C16	179.5°	180.0°
C20	N3	C19	C15	180.0°	180.0°
N3	C20	C16	C18	62.2°	130.7°
C20	N3	C24	C21	104.3°	83.2°
N3	C20	C12	H12	179.6°	179.9°
C20	N3	C24	H24	15.7°	156.8°
C20	N3	C24	H24A	135.7°	36.7°
C24	N3	C19	C11	179.5°	179.7°
C24	N3	C20	C12	179.1°	179.8°
N3	C24	C21	C13	17.4°	126.7°
C24	N3	C19	C15	0.7°	0.2°
C24	N3	C20	C16	0.4°	0.3°
N3	C24	C21	H24	120.0°	120.0°
N3	C24	C21	H24A	120.0°	119.9°
N3	C24	H24	H24A	121.0°	120.0°
C13	C4	C14	H4	180.0°	180.0°
C4	C13	C21	H13	180.0°	180.0°
C13	C4	C14	C22	0.2°	0.0°
C4	C13	C21	C24	179.9°	180.0°
C13	C4	C14	H14	179.8°	180.0°
C4	C14	C22	N4	179.6°	180.0°
C14	C4	C13	C21	0.1°	0.0°
C4	C14	C22	H14	180.0°	180.0°
C14	C4	C13	H13	179.9°	180.0°
C22	N4	HN4	HN4A	120.0°	179.9°
N4	C22	C14	H14	0.5°	0.0°
C5	C16	C18	C10	0.2°	0.0°
C5	C16	C20	C12	61.2°	130.6°
C5	C16	C18	C20	179.6°	180.0°
C16	C5	C2	H2	179.7°	179.7°
C8	C6	C15	H6	180.0°	179.8°
C8	C6	C15	C7	0.1°	0.1°
C6	C8	C17	H8	180.0°	179.9°
C6	C8	C17	C9	0.2°	0.0°
C8	C6	C15	C19	179.7°	180.0°
C6	C15	C7	C9	0.1°	0.1°
C6	C15	C7	C19	179.8°	179.9°
C15	C6	C8	C17	0.1°	0.1°
C6	C15	C19	C11	139.8°	157.2°
C6	C15	C7	H7	179.9°	180.0°
C15	C6	C8	H8	179.8°	180.0°
C9	C7	C15	H7	180.0°	180.0°
C7	C9	C17	C8	0.3°	0.0°
C7	C9	C17	H9	180.0°	180.0°
C9	C7	C15	C19	179.6°	180.0°
C15	C7	C9	C17	0.2°	0.0°
C7	C15	C19	C11	40.0°	22.8°
C7	C15	C6	H6	179.9°	179.7°
C15	C7	C9	H9	179.8°	180.0°
C17	C8	C6	H6	179.8°	179.7°
C8	C17	C9	H9	179.8°	180.0°
C17	C9	C7	H7	179.8°	180.0°
C9	C17	C8	H8	179.8°	180.0°
C10	C18	C16	C20	179.8°	180.0°
C18	C10	C3	H3	179.9°	180.0°
C12	C11	C19	H11	180.0°	180.0°
C11	C12	C20	H12	180.0°	179.9°
C12	C11	C19	C15	179.7°	180.0°
C11	C12	C20	C16	179.9°	180.0°
C19	C11	C12	C20	0.5°	0.0°
C19	C11	C12	H12	179.5°	180.0°
C12	C20	C16	C18	118.4°	49.4°
C20	C12	C11	H11	179.4°	180.0°
C21	C13	C4	H4	179.9°	180.0°
C13	C21	C24	H24	102.6°	6.7°
C13	C21	C24	H24A	137.4°	113.4°
C22	C14	C4	H4	179.7°	180.0°
C14	C22	N4	HN4	179.2°	180.0°
C14	C22	N4	HN4A	60.8°	0.0°
C19	C15	C6	H6	0.3°	0.2°
C19	C15	C7	H7	0.4°	0.0°
C15	C19	C11	H11	0.3°	0.0°
C18	C16	C5	H5	179.7°	180.0°
C16	C18	C10	H10	179.8°	180.0°
C20	C16	C5	H5	0.1°	0.0°
C16	C20	C12	H12	0.1°	0.1°
C24	C21	C13	H13	0.1°	0.1°
C21	C24	H24	H24A	121.0°	120.0°
C23	C25	C26	H25	120.0°	120.0°
C23	C25	C26	H25A	120.0°	120.0°
C25	C23	H23	H23A	118.5°	120.0°
C23	C25	H25	H25A	118.9°	120.0°
C23	C25	C26	H26	99.4°	60.0°
C23	C25	C26	H26A	20.5°	60.0°
C26	C25	C23	H23	22.7°	60.0°
C26	C25	C23	H23A	142.7°	60.0°
C26	C25	H25	H25A	118.9°	120.0°
C25	C26	H26	H26A	121.0°	120.0°
H2	C2	C3	H3	0.2°	0.4°
H2	C2	C5	H5	0.3°	0.3°
H3	C3	C10	H10	0.1°	0.0°
H4	C4	C13	H13	0.1°	0.1°
H4	C4	C14	H14	0.3°	0.0°
H6	C6	C8	H8	0.2°	0.2°
H7	C7	C9	H9	0.2°	0.0°
H11	C11	C12	H12	0.5°	0.1°
H23	C23	C25	H25	97.3°	180.0°
H23	C23	C25	H25A	142.7°	60.0°
H23A	C23	C25	H25	22.8°	60.0°
H23A	C23	C25	H25A	97.2°	180.0°
H25	C25	C26	H26	20.5°	60.0°
H25	C25	C26	H26A	140.5°	180.0°
H25A	C25	C26	H26	140.5°	180.0°
H25A	C25	C26	H26A	99.5°	59.9°

Definition date:	2010-01-20
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3L3A