793

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.53Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C1	H1B	sing	1.09Å	1.10Å
C2	C3	sing	1.51Å	1.52Å
C2	N1	sing	1.46Å	1.46Å
C2	H2	sing	1.09Å	1.10Å
C3	C4	doub	1.38Å	1.41Å	Aromatic
C3	C8	sing	1.38Å	1.41Å	Aromatic
C4	C5	sing	1.38Å	1.40Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C5	C6	doub	1.38Å	1.40Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C6	C7	sing	1.38Å	1.40Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C11	C12	sing	1.49Å	1.46Å
C11	C10	sing	1.47Å	1.47Å
C11	O1	doub	1.22Å	1.20Å
C12	C9	sing	1.47Å	1.47Å
C12	O2	doub	1.22Å	1.20Å
C13	C14	doub	1.39Å	1.40Å	Aromatic
C13	C17	sing	1.40Å	1.41Å	Aromatic
C13	N2	sing	1.39Å	1.42Å
C14	C15	sing	1.38Å	1.39Å	Aromatic
C14	H14	sing	1.08Å	1.08Å
C15	N3	doub	1.32Å	1.35Å	Aromatic
C15	H15	sing	1.08Å	1.08Å
C16	C17	doub	1.38Å	1.39Å	Aromatic
C16	N3	sing	1.32Å	1.35Å	Aromatic
C16	H16	sing	1.08Å	1.08Å
C17	H17	sing	1.08Å	1.08Å
C7	C8	doub	1.38Å	1.40Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
N1	C9	sing	1.37Å	1.31Å
C9	C10	doub	1.41Å	1.37Å
C10	N2	sing	1.37Å	1.32Å
N2	HN2	sing	0.97Å	1.00Å
N1	H151	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	H1	109.5°	109.5°
C2	C1	H1A	109.5°	109.5°
C2	C1	H1B	109.4°	109.5°
C1	C2	C3	113.3°	109.5°
C1	C2	N1	110.1°	109.5°
C1	C2	H2	106.5°	109.5°
H1	C1	H1A	109.5°	109.5°
H1	C1	H1B	109.5°	109.4°
H1A	C1	H1B	109.5°	109.5°
C3	C2	N1	109.9°	109.5°
C3	C2	H2	106.8°	109.5°
C2	C3	C4	121.3°	120.0°
C2	C3	C8	120.4°	120.0°
N1	C2	H2	110.1°	109.5°
C2	N1	C9	125.8°	120.0°
C2	N1	H151	104.3°	120.0°
C4	C3	C8	118.4°	120.0°
C3	C4	C5	120.8°	120.0°
C3	C4	H4	119.6°	120.0°
C3	C8	C7	120.7°	119.9°
C3	C8	H8	119.6°	120.0°
C5	C4	H4	119.6°	120.0°
C4	C5	C6	120.2°	120.0°
C4	C5	H5	119.9°	120.0°
C6	C5	H5	119.9°	120.0°
C5	C6	C7	119.8°	120.0°
C5	C6	H6	120.1°	120.0°
C7	C6	H6	120.1°	120.0°
C6	C7	C8	120.1°	120.0°
C6	C7	H7	119.9°	120.0°
C12	C11	C10	88.4°	88.4°
C12	C11	O1	129.7°	135.8°
C11	C12	C9	88.2°	88.4°
C11	C12	O2	129.8°	135.8°
C10	C11	O1	141.9°	135.8°
C11	C10	C9	91.4°	91.6°
C11	C10	N2	127.7°	134.2°
C9	C12	O2	142.0°	135.8°
C12	C9	N1	129.7°	134.3°
C12	C9	C10	91.9°	91.6°
C14	C13	C17	117.5°	118.3°
C14	C13	N2	125.4°	120.9°
C13	C14	C15	119.1°	119.1°
C13	C14	H14	120.4°	120.5°
C17	C13	N2	117.1°	120.8°
C13	C17	C16	119.2°	119.0°
C13	C17	H17	120.4°	120.5°
C13	N2	C10	134.5°	120.0°
C13	N2	HN2	112.8°	120.0°
C15	C14	H14	120.4°	120.4°
C14	C15	N3	123.9°	120.8°
C14	C15	H15	118.1°	119.6°
N3	C15	H15	118.1°	119.6°
C15	N3	C16	116.5°	121.9°
C17	C16	N3	123.8°	120.9°
C17	C16	H16	118.1°	119.6°
C16	C17	H17	120.4°	120.5°
N3	C16	H16	118.1°	119.5°
C8	C7	H7	120.0°	119.9°
C7	C8	H8	119.6°	120.0°
N1	C9	C10	138.4°	134.2°
C9	N1	H151	104.3°	120.0°
C9	C10	N2	140.9°	134.2°
C10	N2	HN2	112.8°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	H1	H1A	120.0°	120.0°
C2	C1	H1	H1B	120.0°	120.0°
C2	C1	H1A	H1B	120.0°	120.0°
C1	C2	C3	N1	123.7°	120.0°
C1	C2	C3	H2	116.9°	120.0°
C1	C2	N1	H2	117.1°	120.0°
C1	C2	C3	C4	107.1°	100.0°
C1	C2	C3	C8	73.1°	80.3°
C1	C2	N1	C9	159.0°	85.0°
C1	C2	N1	H151	39.1°	95.0°
H1	C1	H1A	H1B	120.0°	120.0°
H1	C1	C2	C3	19.0°	180.0°
H1	C1	C2	N1	104.6°	60.0°
H1	C1	C2	H2	136.1°	60.0°
H1A	C1	C2	C3	139.0°	60.0°
H1A	C1	C2	N1	15.4°	180.0°
H1A	C1	C2	H2	103.9°	60.0°
H1B	C1	C2	C3	101.0°	60.0°
H1B	C1	C2	N1	135.4°	60.0°
H1B	C1	C2	H2	16.1°	180.0°
C3	C2	N1	H2	117.3°	120.0°
C2	C3	C4	C8	179.9°	179.8°
C2	C3	C4	C5	180.0°	180.0°
C2	C3	C4	H4	0.1°	0.0°
C2	C3	C8	C7	180.0°	179.8°
C2	C3	C8	H8	0.0°	0.1°
C3	C2	N1	C9	75.4°	155.0°
C3	C2	N1	H151	164.6°	25.0°
N1	C2	C3	C4	129.2°	140.0°
N1	C2	C3	C8	50.6°	39.7°
C2	N1	C9	C12	2.8°	0.1°
C2	N1	C9	H151	120.0°	179.9°
C2	N1	C9	C10	177.3°	180.0°
H2	C2	C3	C4	9.8°	20.0°
H2	C2	C3	C8	170.0°	159.8°
H2	C2	N1	C9	41.9°	34.9°
H2	C2	N1	H151	78.1°	145.0°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	0.2°	0.0°
C3	C4	C5	H5	179.9°	180.0°
C4	C3	C8	C7	0.1°	0.4°
C4	C3	C8	H8	179.9°	179.7°
C8	C3	C4	C5	0.2°	0.2°
C8	C3	C4	H4	179.8°	179.8°
C3	C8	C7	C6	0.0°	0.4°
C3	C8	C7	H8	180.0°	179.9°
C3	C8	C7	H7	180.0°	179.7°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	C7	0.1°	0.1°
C4	C5	C6	H6	180.0°	180.0°
H4	C4	C5	C6	179.8°	180.0°
H4	C4	C5	H5	0.2°	0.0°
C5	C6	C7	H6	180.0°	180.0°
C5	C6	C7	C8	0.0°	0.1°
C5	C6	C7	H7	180.0°	180.0°
H5	C5	C6	C7	180.0°	180.0°
H5	C5	C6	H6	0.0°	0.0°
C6	C7	C8	H7	180.0°	179.9°
C6	C7	C8	H8	180.0°	179.7°
H6	C6	C7	C8	180.0°	179.8°
H6	C6	C7	H7	0.0°	0.1°
C12	C11	C10	O1	179.9°	179.8°
C11	C12	C9	O2	179.8°	180.0°
C11	C12	C9	N1	180.0°	180.0°
C12	C11	C10	C9	0.0°	0.0°
C12	C11	C10	N2	179.8°	179.9°
C10	C11	C12	O2	179.8°	180.0°
C11	C10	N2	C13	4.5°	5.8°
C11	C10	C9	N1	179.9°	180.0°
C11	C10	C9	N2	179.8°	179.9°
C11	C10	N2	HN2	175.5°	174.2°
O1	C11	C12	C9	179.9°	179.7°
O1	C11	C12	O2	0.3°	0.3°
O1	C11	C10	C9	179.8°	179.7°
O1	C11	C10	N2	0.3°	0.2°
C12	C9	N1	C10	179.9°	180.0°
C12	C9	C10	N2	179.8°	179.9°
C12	C9	N1	H151	122.8°	180.0°
O2	C12	C9	N1	0.2°	0.0°
O2	C12	C9	C10	179.7°	180.0°
C14	C13	C17	N2	179.5°	179.7°
C13	C14	C15	H14	180.0°	179.9°
C13	C14	C15	N3	0.2°	0.0°
C13	C14	C15	H15	179.8°	180.0°
C14	C13	C17	C16	0.2°	0.0°
C14	C13	C17	H17	179.8°	179.9°
C14	C13	N2	C10	12.6°	145.9°
C14	C13	N2	HN2	167.5°	34.1°
C17	C13	C14	C15	0.2°	0.0°
C17	C13	C14	H14	179.8°	180.0°
C13	C17	C16	H17	180.0°	179.9°
C13	C17	C16	N3	0.1°	0.0°
C13	C17	C16	H16	179.9°	180.0°
C17	C13	N2	C10	168.0°	34.4°
C17	C13	N2	HN2	12.0°	145.6°
N2	C13	C14	C15	179.7°	179.7°
N2	C13	C14	H14	0.3°	0.3°
N2	C13	C17	C16	179.7°	179.7°
N2	C13	C17	H17	0.3°	0.2°
C13	N2	C10	C9	175.7°	174.1°
C13	N2	C10	HN2	180.0°	180.0°
C14	C15	N3	H15	180.0°	180.0°
C14	C15	N3	C16	0.1°	0.0°
H14	C14	C15	N3	179.8°	179.9°
H14	C14	C15	H15	0.2°	0.0°
C15	N3	C16	C17	0.1°	0.0°
C15	N3	C16	H16	179.9°	179.9°
H15	C15	N3	C16	179.8°	180.0°
C17	C16	N3	H16	180.0°	180.0°
N3	C16	C17	H17	179.9°	179.9°
H16	C16	C17	H17	0.1°	0.0°
H7	C7	C8	H8	0.0°	0.1°
N1	C9	C10	N2	0.1°	0.1°
C9	C10	N2	HN2	4.3°	5.9°
C10	C9	N1	H151	57.3°	0.1°

Definition date:	2009-01-06
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3FPM