9PL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C5	N1	sing	1.37Å	1.35Å	Aromatic
N1	C2	sing	1.35Å	1.33Å	Aromatic
N1	C6	sing	1.46Å	1.48Å
N3	C2	doub	1.31Å	1.35Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C4	N3	sing	1.34Å	1.34Å	Aromatic
C4	C5	doub	1.35Å	1.38Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C7	C5	sing	1.51Å	1.51Å
C6	H6	sing	1.09Å	1.10Å
C6	H6A	sing	1.09Å	1.10Å
C6	H6B	sing	1.09Å	1.10Å
C8	C7	sing	1.53Å	1.53Å
C7	H7	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
C12	C8	sing	1.55Å	1.53Å
C9	C8	sing	1.55Å	1.54Å
C8	H8	sing	1.09Å	1.10Å
O10	C9	sing	1.46Å	1.42Å
C9	H9	sing	1.09Å	1.10Å
C9	H9A	sing	1.09Å	1.10Å
C11	O10	sing	1.34Å	1.44Å
O15	C11	doub	1.21Å	1.21Å
C11	C12	sing	1.52Å	1.48Å
C13	C12	sing	1.53Å	1.52Å
C12	H12	sing	1.09Å	1.10Å
C14	C13	sing	1.53Å	1.50Å
C13	H13	sing	1.09Å	1.10Å
C13	H13A	sing	1.09Å	1.10Å
C14	H14	sing	1.09Å	1.10Å
C14	H14A	sing	1.09Å	1.10Å
C14	H14B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	N1	C2	108.2°	107.2°
C5	N1	C6	128.2°	126.4°
N1	C5	C4	107.4°	106.9°
N1	C5	C7	128.7°	126.6°
C2	N1	C6	123.6°	126.4°
N1	C2	N3	109.2°	108.7°
N1	C2	H2	125.4°	125.7°
N1	C6	H6	109.5°	109.5°
N1	C6	H6A	109.5°	109.5°
N1	C6	H6B	109.5°	109.5°
N3	C2	H2	125.4°	125.6°
C2	N3	C4	108.0°	109.3°
N3	C4	C5	107.3°	108.0°
N3	C4	H4	126.4°	126.0°
C5	C4	H4	126.3°	126.0°
C4	C5	C7	123.9°	126.6°
C5	C7	C8	108.9°	109.5°
C5	C7	H7	109.6°	109.5°
C5	C7	H7A	109.6°	109.5°
H6	C6	H6A	109.4°	109.5°
H6	C6	H6B	109.5°	109.4°
H6A	C6	H6B	109.5°	109.4°
C8	C7	H7	109.7°	109.4°
C8	C7	H7A	109.7°	109.4°
C7	C8	C12	116.5°	110.9°
C7	C8	C9	114.0°	110.9°
C7	C8	H8	100.5°	110.8°
H7	C7	H7A	109.3°	109.5°
C12	C8	C9	108.8°	102.3°
C12	C8	H8	106.8°	110.9°
C8	C12	C11	98.3°	104.6°
C8	C12	C13	112.8°	110.4°
C8	C12	H12	113.0°	110.5°
C9	C8	H8	109.6°	110.9°
C8	C9	O10	103.4°	104.5°
C8	C9	H9	111.5°	110.5°
C8	C9	H9A	111.5°	110.4°
O10	C9	H9	111.5°	110.4°
O10	C9	H9A	111.5°	110.6°
C9	O10	C11	109.8°	109.9°
H9	C9	H9A	107.3°	110.4°
O10	C11	O15	123.7°	125.1°
O10	C11	C12	111.3°	109.9°
O15	C11	C12	125.0°	125.0°
C11	C12	C13	104.5°	110.4°
C11	C12	H12	120.3°	110.3°
C13	C12	H12	107.6°	110.4°
C12	C13	C14	111.2°	109.5°
C12	C13	H13	108.9°	109.5°
C12	C13	H13A	108.9°	109.5°
C14	C13	H13	108.9°	109.5°
C14	C13	H13A	108.9°	109.5°
C13	C14	H14	109.5°	109.5°
C13	C14	H14A	109.5°	109.5°
C13	C14	H14B	109.5°	109.5°
H13	C13	H13A	110.0°	109.5°
H14	C14	H14A	109.5°	109.4°
H14	C14	H14B	109.4°	109.5°
H14A	C14	H14B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C5	N1	C2	C6	179.9°	179.7°
C5	N1	C2	N3	0.3°	0.3°
C5	N1	C2	H2	179.7°	179.8°
N1	C5	C4	N3	0.4°	0.4°
N1	C5	C4	C7	178.9°	179.5°
N1	C5	C4	H4	179.7°	179.8°
C5	N1	C6	H6	180.0°	85.2°
C5	N1	C6	H6A	60.0°	34.8°
C5	N1	C6	H6B	60.0°	154.8°
N1	C5	C7	C8	79.7°	93.1°
N1	C5	C7	H7	160.3°	146.9°
N1	C5	C7	H7A	40.3°	26.9°
N1	C2	N3	H2	180.0°	179.9°
N1	C2	N3	C4	0.1°	0.1°
C2	N1	C5	C4	0.4°	0.5°
C2	N1	C5	C7	179.2°	180.0°
C2	N1	C6	H6	0.2°	95.1°
C2	N1	C6	H6A	120.1°	144.8°
C2	N1	C6	H6B	119.9°	24.9°
C6	N1	C2	N3	179.8°	180.0°
C6	N1	C2	H2	0.2°	0.1°
C6	N1	C5	C4	179.7°	179.8°
C6	N1	C5	C7	1.0°	0.3°
N1	C6	H6	H6A	120.0°	120.1°
N1	C6	H6	H6B	120.0°	120.0°
N1	C6	H6A	H6B	120.0°	120.0°
C2	N3	C4	C5	0.2°	0.2°
C2	N3	C4	H4	179.8°	180.0°
H2	C2	N3	C4	179.9°	180.0°
N3	C4	C5	H4	180.0°	179.8°
N3	C4	C5	C7	179.2°	180.0°
C4	C5	C7	C8	98.9°	86.4°
C4	C5	C7	H7	21.1°	33.6°
C4	C5	C7	H7A	141.1°	153.7°
H4	C4	C5	C7	0.8°	0.3°
C5	C7	C8	H7	120.0°	120.0°
C5	C7	C8	H7A	120.0°	120.0°
C5	C7	H7	H7A	120.2°	120.0°
C5	C7	C8	C12	179.7°	178.7°
C5	C7	C8	C9	52.3°	65.8°
C5	C7	C8	H8	64.8°	57.7°
H6	C6	H6A	H6B	120.0°	119.9°
C8	C7	H7	H7A	120.3°	120.0°
C7	C8	C12	C9	130.5°	118.3°
C7	C8	C12	H8	111.3°	123.5°
C7	C8	C9	H8	111.7°	123.5°
C7	C8	C9	O10	152.3°	91.3°
C7	C8	C9	H9	87.6°	149.9°
C7	C8	C9	H9A	32.3°	27.6°
C7	C8	C12	C11	158.6°	102.9°
C7	C8	C12	C13	48.9°	15.9°
C7	C8	C12	H12	73.4°	138.4°
H7	C7	C8	C12	60.3°	58.7°
H7	C7	C8	C9	67.7°	54.2°
H7	C7	C8	H8	175.2°	177.8°
H7A	C7	C8	C12	59.7°	61.3°
H7A	C7	C8	C9	172.3°	174.2°
H7A	C7	C8	H8	55.2°	62.2°
C12	C8	C9	H8	116.4°	118.3°
C12	C8	C9	O10	20.5°	27.0°
C12	C8	C9	H9	140.5°	91.8°
C12	C8	C9	H9A	99.5°	145.8°
C8	C12	C11	O10	26.5°	2.3°
C8	C12	C11	O15	153.0°	177.7°
C8	C12	C11	C13	116.2°	118.8°
C8	C12	C11	H12	122.9°	118.9°
C8	C12	C13	H12	125.3°	122.6°
C8	C12	C13	C14	115.8°	178.4°
C8	C12	C13	H13	124.2°	61.6°
C8	C12	C13	H13A	4.2°	58.4°
C8	C9	O10	H9	120.0°	118.8°
C8	C9	O10	H9A	120.0°	118.8°
C8	C9	H9	H9A	122.4°	122.4°
C8	C9	O10	C11	3.3°	30.6°
C9	C8	C12	C11	28.1°	15.4°
C9	C8	C12	C13	81.6°	134.2°
C9	C8	C12	H12	156.1°	103.4°
H8	C8	C9	O10	95.9°	145.2°
H8	C8	C9	H9	24.1°	26.4°
H8	C8	C9	H9A	144.1°	95.9°
H8	C8	C12	C11	90.2°	133.7°
H8	C8	C12	C13	160.2°	107.6°
H8	C8	C12	H12	37.9°	14.9°
O10	C9	H9	H9A	122.5°	122.6°
C9	O10	C11	O15	163.7°	159.1°
C9	O10	C11	C12	15.7°	20.8°
H9	C9	O10	C11	123.3°	88.2°
H9A	C9	O10	C11	116.7°	149.4°
O10	C11	O15	C12	179.4°	180.0°
O10	C11	C12	C13	89.8°	116.5°
O10	C11	C12	H12	149.4°	121.2°
O15	C11	C12	C13	90.8°	63.5°
O15	C11	C12	H12	30.1°	58.8°
C11	C12	C13	H12	129.0°	122.3°
C11	C12	C13	C14	138.5°	66.4°
C11	C12	C13	H13	18.5°	53.5°
C11	C12	C13	H13A	101.5°	173.6°
C12	C13	C14	H13	120.0°	120.0°
C12	C13	C14	H13A	120.0°	120.0°
C12	C13	H13	H13A	119.3°	120.0°
C12	C13	C14	H14	180.0°	60.0°
C12	C13	C14	H14A	60.0°	60.0°
C12	C13	C14	H14B	60.0°	180.0°
H12	C12	C13	C14	9.5°	55.9°
H12	C12	C13	H13	110.5°	175.8°
H12	C12	C13	H13A	129.5°	64.1°
C14	C13	H13	H13A	119.3°	120.0°
C13	C14	H14	H14A	120.0°	120.0°
C13	C14	H14	H14B	120.0°	120.0°
C13	C14	H14A	H14B	120.0°	120.0°
H13	C13	C14	H14	60.0°	180.0°
H13	C13	C14	H14A	180.0°	60.0°
H13	C13	C14	H14B	60.0°	60.0°
H13A	C13	C14	H14	60.0°	60.0°
H13A	C13	C14	H14A	60.0°	180.0°
H13A	C13	C14	H14B	180.0°	60.0°
H14	C14	H14A	H14B	120.0°	119.9°

Definition date:	2011-07-26
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	3T3Z