LM3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C23	C24	doub	1.39Å	1.38Å	Aromatic
C23	C22	sing	1.36Å	1.39Å	Aromatic
C24	C25	sing	1.36Å	1.39Å	Aromatic
C22	C15	doub	1.41Å	1.38Å	Aromatic
C25	C16	doub	1.40Å	1.38Å	Aromatic
C15	C16	sing	1.42Å	1.40Å	Aromatic
C15	C14	sing	1.41Å	1.36Å	Aromatic
C16	C11	sing	1.42Å	1.37Å	Aromatic
C14	C13	doub	1.36Å	1.37Å	Aromatic
C11	C12	doub	1.38Å	1.38Å	Aromatic
C11	C7	sing	1.48Å	1.48Å
C13	C12	sing	1.39Å	1.36Å	Aromatic
N8	C7	doub	1.33Å	1.37Å	Aromatic
N8	N9	sing	1.28Å	1.29Å	Aromatic
C7	C6	sing	1.41Å	1.39Å	Aromatic
N9	C4	doub	1.33Å	1.37Å	Aromatic
C17	C18	doub	1.38Å	1.38Å	Aromatic
C17	C10	sing	1.40Å	1.39Å	Aromatic
C18	N19	sing	1.32Å	1.39Å	Aromatic
C6	C10	sing	1.48Å	1.49Å
C6	C5	doub	1.39Å	1.40Å	Aromatic
C3	N2	sing	1.46Å	1.47Å
C4	C5	sing	1.39Å	1.40Å	Aromatic
C4	N2	sing	1.39Å	1.42Å
C10	C21	doub	1.40Å	1.38Å	Aromatic
N2	C1	sing	1.47Å	1.47Å
N19	C20	doub	1.32Å	1.38Å	Aromatic
C21	C20	sing	1.38Å	1.39Å	Aromatic
C3	H1	sing	1.09Å	1.10Å
C3	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C1	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C21	H7	sing	1.08Å	1.08Å
C20	H8	sing	1.08Å	1.08Å
C18	H9	sing	1.08Å	1.08Å
C17	H10	sing	1.08Å	1.08Å
C5	H11	sing	1.08Å	1.08Å
C25	H12	sing	1.08Å	1.08Å
C24	H13	sing	1.08Å	1.08Å
C23	H14	sing	1.08Å	1.08Å
C22	H15	sing	1.08Å	1.08Å
C14	H16	sing	1.08Å	1.08Å
C13	H17	sing	1.08Å	1.08Å
C12	H18	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C24	C23	C22	121.0°	120.9°
C23	C24	C25	120.7°	121.0°
C23	C24	H13	119.7°	119.5°
C24	C23	H14	119.5°	119.6°
C23	C22	C15	118.2°	119.7°
C22	C23	H14	119.5°	119.5°
C23	C22	H15	120.9°	120.2°
C24	C25	C16	119.3°	119.7°
C24	C25	H12	120.4°	120.2°
C25	C24	H13	119.7°	119.5°
C22	C15	C16	121.3°	119.3°
C22	C15	C14	117.8°	121.2°
C15	C22	H15	120.9°	120.2°
C25	C16	C15	119.5°	119.5°
C25	C16	C11	122.1°	121.3°
C16	C25	H12	120.4°	120.1°
C16	C15	C14	120.9°	119.5°
C15	C16	C11	118.4°	119.2°
C15	C14	C13	120.6°	120.1°
C15	C14	H16	119.7°	119.9°
C16	C11	C12	119.5°	119.3°
C16	C11	C7	124.5°	120.3°
C14	C13	C12	118.8°	121.1°
C13	C14	H16	119.7°	120.0°
C14	C13	H17	120.6°	119.4°
C12	C11	C7	115.9°	120.4°
C11	C12	C13	121.7°	120.7°
C11	C12	H18	119.1°	119.7°
C11	C7	N8	115.3°	120.2°
C11	C7	C6	125.1°	120.2°
C12	C13	H17	120.6°	119.5°
C13	C12	H18	119.1°	119.6°
C7	N8	N9	122.3°	122.2°
N8	C7	C6	119.3°	119.6°
N8	N9	C4	122.1°	122.5°
C7	C6	C10	122.8°	121.1°
C7	C6	C5	117.7°	117.8°
N9	C4	C5	118.1°	120.1°
N9	C4	N2	116.6°	120.0°
C18	C17	C10	121.5°	119.0°
C17	C18	N19	118.4°	120.9°
C17	C18	H9	120.8°	119.5°
C18	C17	H10	119.2°	120.5°
C17	C10	C6	118.0°	121.0°
C17	C10	C21	119.8°	118.1°
C10	C17	H10	119.2°	120.4°
C18	N19	C20	120.1°	122.0°
N19	C18	H9	120.8°	119.6°
C10	C6	C5	119.2°	121.1°
C6	C10	C21	122.1°	120.9°
C6	C5	C4	120.3°	117.9°
C6	C5	H11	119.9°	121.1°
C3	N2	C4	122.3°	120.0°
C3	N2	C1	111.6°	120.0°
N2	C3	H1	109.5°	109.4°
N2	C3	H2	109.5°	109.5°
N2	C3	H3	109.5°	109.5°
C5	C4	N2	125.3°	120.0°
C4	C5	H11	119.8°	121.1°
C4	N2	C1	126.1°	120.0°
C10	C21	C20	119.0°	119.0°
C10	C21	H7	120.5°	120.5°
N2	C1	H4	109.5°	109.5°
N2	C1	H5	109.5°	109.5°
N2	C1	H6	109.4°	109.5°
N19	C20	C21	121.1°	120.9°
N19	C20	H8	119.5°	119.5°
C20	C21	H7	120.5°	120.5°
C21	C20	H8	119.4°	119.6°
H1	C3	H2	109.5°	109.4°
H1	C3	H3	109.4°	109.5°
H2	C3	H3	109.5°	109.5°
H4	C1	H5	109.5°	109.5°
H4	C1	H6	109.5°	109.4°
H5	C1	H6	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C24	C23	C22	H14	180.0°	180.0°
C23	C24	C25	H13	180.0°	179.9°
C24	C23	C22	C15	0.3°	0.0°
C23	C24	C25	C16	1.4°	0.0°
C23	C24	C25	H12	178.6°	179.9°
C24	C23	C22	H15	179.7°	180.0°
C22	C23	C24	C25	0.8°	0.0°
C23	C22	C15	H15	180.0°	180.0°
C23	C22	C15	C16	0.4°	0.0°
C23	C22	C15	C14	179.7°	180.0°
C22	C23	C24	H13	179.2°	180.0°
C24	C25	C16	H12	180.0°	180.0°
C24	C25	C16	C15	1.6°	0.0°
C24	C25	C16	C11	178.4°	180.0°
C25	C24	C23	H14	179.2°	180.0°
C22	C15	C16	C25	1.1°	0.0°
C22	C15	C16	C14	179.3°	180.0°
C22	C15	C16	C11	178.9°	180.0°
C22	C15	C14	C13	179.6°	180.0°
C15	C22	C23	H14	179.7°	180.0°
C22	C15	C14	H16	0.4°	0.0°
C25	C16	C15	C11	180.0°	180.0°
C25	C16	C15	C14	179.7°	179.9°
C25	C16	C11	C12	178.6°	179.9°
C25	C16	C11	C7	1.5°	0.2°
C16	C25	C24	H13	178.6°	180.0°
C16	C15	C14	C13	1.1°	0.0°
C15	C16	C11	C12	1.4°	0.0°
C15	C16	C11	C7	178.5°	179.7°
C15	C16	C25	H12	178.5°	180.0°
C16	C15	C22	H15	179.6°	180.0°
C16	C15	C14	H16	178.9°	180.0°
C14	C15	C16	C11	0.4°	0.0°
C15	C14	C13	H16	180.0°	180.0°
C15	C14	C13	C12	1.5°	0.0°
C14	C15	C22	H15	0.3°	0.0°
C15	C14	C13	H17	178.5°	179.9°
C16	C11	C12	C7	177.4°	179.7°
C16	C11	C12	C13	1.0°	0.0°
C16	C11	C7	N8	62.0°	52.7°
C16	C11	C7	C6	124.1°	127.4°
C11	C16	C25	H12	1.6°	0.1°
C16	C11	C12	H18	179.0°	179.8°
C14	C13	C12	C11	0.4°	0.1°
C14	C13	C12	H17	180.0°	180.0°
C14	C13	C12	H18	179.6°	179.8°
C11	C12	C13	H18	180.0°	179.8°
C12	C11	C7	N8	115.2°	127.0°
C12	C11	C7	C6	58.7°	52.9°
C11	C12	C13	H17	179.6°	179.9°
C7	C11	C12	C13	178.4°	179.8°
C11	C7	N8	C6	174.3°	179.9°
C11	C7	N8	N9	178.9°	179.9°
C11	C7	C6	C10	7.3°	0.0°
C11	C7	C6	C5	178.0°	180.0°
C7	C11	C12	H18	1.6°	0.1°
C12	C13	C14	H16	178.6°	180.0°
C7	N8	N9	C4	2.5°	0.1°
N8	C7	C6	C10	179.0°	179.9°
N8	C7	C6	C5	4.4°	0.0°
N9	N8	C7	C6	4.6°	0.1°
N8	N9	C4	C5	0.4°	0.1°
N8	N9	C4	N2	179.3°	179.7°
C7	C6	C10	C17	50.7°	56.1°
C7	C6	C10	C5	174.6°	180.0°
C7	C6	C5	C4	2.4°	0.0°
C7	C6	C10	C21	132.7°	124.1°
C7	C6	C5	H11	177.6°	179.8°
N9	C4	C5	C6	0.4°	0.0°
N9	C4	N2	C3	10.3°	174.7°
N9	C4	C5	N2	179.7°	179.8°
N9	C4	N2	C1	169.9°	5.2°
N9	C4	C5	H11	179.6°	179.8°
C18	C17	C10	H10	180.0°	179.5°
C17	C18	N19	H9	180.0°	179.7°
C18	C17	C10	C6	178.1°	179.7°
C18	C17	C10	C21	1.5°	0.5°
C17	C18	N19	C20	0.5°	0.3°
C10	C17	C18	N19	1.2°	0.5°
C17	C10	C6	C21	176.5°	179.8°
C17	C10	C6	C5	123.8°	123.9°
C17	C10	C21	C20	1.2°	0.2°
C17	C10	C21	H7	178.8°	179.8°
C10	C17	C18	H9	178.8°	179.7°
C18	N19	C20	C21	0.2°	0.0°
C18	N19	C20	H8	179.8°	179.9°
N19	C18	C17	H10	178.8°	179.9°
C10	C6	C5	C4	177.2°	180.0°
C6	C10	C21	C20	177.7°	180.0°
C6	C10	C21	H7	2.3°	0.0°
C6	C10	C17	H10	1.9°	0.2°
C10	C6	C5	H11	2.8°	0.2°
C6	C5	C4	H11	180.0°	179.8°
C6	C5	C4	N2	179.3°	179.8°
C5	C6	C10	C21	52.7°	55.9°
C3	N2	C4	C5	170.0°	5.1°
C3	N2	C4	C1	179.8°	179.9°
N2	C3	H1	H2	120.0°	120.0°
N2	C3	H1	H3	120.0°	120.0°
N2	C3	H2	H3	120.0°	120.1°
C3	N2	C1	H4	180.0°	89.9°
C3	N2	C1	H5	60.0°	150.0°
C3	N2	C1	H6	60.0°	30.0°
C5	C4	N2	C1	9.8°	175.0°
C4	N2	C3	H1	180.0°	90.0°
C4	N2	C3	H2	60.0°	29.9°
C4	N2	C3	H3	60.0°	150.0°
C4	N2	C1	H4	0.2°	90.0°
C4	N2	C1	H5	119.8°	30.0°
C4	N2	C1	H6	120.2°	150.1°
N2	C4	C5	H11	0.7°	0.0°
C10	C21	C20	N19	0.6°	0.0°
C10	C21	C20	H7	180.0°	180.0°
C10	C21	C20	H8	179.4°	180.0°
C21	C10	C17	H10	178.5°	180.0°
C1	N2	C3	H1	0.2°	90.1°
C1	N2	C3	H2	119.8°	150.0°
C1	N2	C3	H3	120.2°	30.0°
N2	C1	H4	H5	120.0°	120.0°
N2	C1	H4	H6	120.0°	119.9°
N2	C1	H5	H6	120.0°	120.0°
N19	C20	C21	H8	180.0°	179.9°
N19	C20	C21	H7	179.4°	180.0°
C20	N19	C18	H9	179.5°	180.0°
H1	C3	H2	H3	120.0°	120.0°
H4	C1	H5	H6	120.0°	119.9°
H7	C21	C20	H8	0.6°	0.0°
H9	C18	C17	H10	1.1°	0.2°
H12	C25	C24	H13	1.4°	0.0°
H13	C24	C23	H14	0.8°	0.1°
H14	C23	C22	H15	0.3°	0.0°
H16	C14	C13	H17	1.5°	0.1°
H17	C13	C12	H18	0.4°	0.3°

Release date:	2013-06-05
Definition date:	2012-06-01
Last modified:	2013-05-31
Release status:	REL
Processing site:	RCSB
Derived from:	4F9Y