8CN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	C02	sing	1.53Å	1.54Å
N03	C02	sing	1.47Å	1.48Å
C02	C04	sing	1.51Å	1.54Å
O05	C04	doub	1.21Å	1.19Å
C04	N06	sing	1.35Å	1.50Å
C07	N06	sing	1.47Å	1.50Å
C07	C08	sing	1.53Å	1.54Å
N06	C11	sing	1.47Å	1.52Å
C08	C09	sing	1.53Å	1.49Å
C11	C12	sing	1.53Å	1.56Å
C11	C10	sing	1.53Å	1.55Å
C09	C10	sing	1.53Å	1.51Å
C10	H1	sing	1.09Å	1.10Å
C10	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C01	H4	sing	1.09Å	1.10Å
C01	H5	sing	1.09Å	1.10Å
C02	H6	sing	1.09Å	1.10Å
N03	H7	sing	1.01Å	1.00Å
N03	H8	sing	1.01Å	1.00Å
C07	H10	sing	1.09Å	1.10Å
C07	H11	sing	1.09Å	1.10Å
C08	H12	sing	1.09Å	1.10Å
C08	H13	sing	1.09Å	1.10Å
C09	H14	sing	1.09Å	1.10Å
C09	H15	sing	1.09Å	1.10Å
C11	H16	sing	1.09Å	1.10Å
C12	H17	sing	1.09Å	1.10Å
C12	H18	sing	1.09Å	1.10Å
C12	H19	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C02	N03	111.3°	109.5°
C01	C02	C04	105.5°	109.4°
C02	C01	H3	109.5°	109.5°
C02	C01	H4	109.5°	109.4°
C02	C01	H5	109.5°	109.5°
C01	C02	H6	110.2°	109.5°
N03	C02	C04	108.2°	109.4°
N03	C02	H6	111.2°	109.5°
C02	N03	H7	109.5°	111.0°
C02	N03	H8	109.5°	111.0°
C02	C04	O05	115.1°	120.0°
C02	C04	N06	119.8°	120.0°
C04	C02	H6	110.2°	109.5°
O05	C04	N06	124.9°	120.0°
C04	N06	C07	120.5°	120.6°
C04	N06	C11	128.6°	120.6°
N06	C07	C08	106.2°	108.8°
C07	N06	C11	110.2°	118.7°
N06	C07	H10	110.3°	109.6°
N06	C07	H11	110.3°	109.6°
C07	C08	C09	109.4°	109.3°
C08	C07	H10	110.3°	109.6°
C08	C07	H11	110.3°	109.5°
C07	C08	H12	109.5°	109.5°
C07	C08	H13	109.5°	109.6°
N06	C11	C12	110.6°	109.6°
N06	C11	C10	112.5°	108.8°
N06	C11	H16	108.5°	109.6°
C08	C09	C10	112.8°	109.6°
C09	C08	H12	109.5°	109.4°
C09	C08	H13	109.5°	109.5°
C08	C09	H14	108.6°	109.5°
C08	C09	H15	108.6°	109.5°
C12	C11	C10	108.9°	109.6°
C12	C11	H16	108.0°	109.7°
C11	C12	H17	109.5°	109.5°
C11	C12	H18	109.5°	109.4°
C11	C12	H19	109.5°	109.5°
C11	C10	C09	117.1°	109.3°
C11	C10	H1	107.5°	109.5°
C11	C10	H2	107.5°	109.5°
C10	C11	H16	108.1°	109.6°
C09	C10	H1	107.6°	109.5°
C09	C10	H2	107.5°	109.5°
C10	C09	H14	108.6°	109.5°
C10	C09	H15	108.6°	109.4°
H1	C10	H2	109.4°	109.5°
H3	C01	H4	109.5°	109.5°
H3	C01	H5	109.5°	109.5°
H4	C01	H5	109.5°	109.5°
H7	N03	H8	109.5°	111.0°
H10	C07	H11	109.5°	109.7°
H12	C08	H13	109.5°	109.5°
H14	C09	H15	109.5°	109.4°
H17	C12	H18	109.5°	109.4°
H17	C12	H19	109.5°	109.5°
H18	C12	H19	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C02	N03	C04	115.5°	120.0°
C01	C02	N03	H6	123.3°	120.0°
C01	C02	C04	H6	119.0°	120.0°
C01	C02	C04	O05	52.5°	100.0°
C01	C02	C04	N06	122.5°	80.0°
C02	C01	H3	H4	120.0°	119.9°
C02	C01	H3	H5	120.0°	120.1°
C02	C01	H4	H5	120.0°	120.0°
C01	C02	N03	H7	180.0°	59.9°
C01	C02	N03	H8	60.0°	176.1°
N03	C02	C04	H6	121.7°	120.0°
N03	C02	C04	O05	66.8°	20.0°
N03	C02	C04	N06	118.3°	160.0°
N03	C02	C01	H3	180.0°	59.9°
N03	C02	C01	H4	60.0°	60.1°
N03	C02	C01	H5	60.0°	180.0°
C02	N03	H7	H8	120.0°	124.0°
C02	C04	O05	N06	174.7°	180.0°
C02	C04	N06	C07	7.8°	4.9°
C02	C04	N06	C11	177.3°	175.1°
C04	C02	C01	H3	62.8°	60.1°
C04	C02	C01	H4	57.2°	180.0°
C04	C02	C01	H5	177.2°	60.0°
C04	C02	N03	H7	64.4°	60.0°
C04	C02	N03	H8	175.6°	64.0°
O05	C04	N06	C07	177.7°	175.2°
O05	C04	N06	C11	8.3°	4.8°
O05	C04	C02	H6	171.5°	140.0°
C04	N06	C07	C11	171.2°	180.0°
C04	N06	C07	C08	104.4°	126.4°
C04	N06	C11	C12	117.4°	6.6°
C04	N06	C11	C10	120.5°	126.4°
N06	C04	C02	H6	3.5°	40.0°
C04	N06	C07	H10	136.1°	6.6°
C04	N06	C07	H11	15.1°	113.8°
C04	N06	C11	H16	0.9°	113.8°
N06	C07	C08	H10	119.5°	119.9°
N06	C07	C08	H11	119.5°	119.8°
N06	C07	C08	C09	69.2°	54.6°
C07	N06	C11	C12	72.3°	173.4°
C07	N06	C11	C10	49.8°	53.6°
N06	C07	H10	H11	121.5°	120.4°
N06	C07	C08	H12	170.8°	65.3°
N06	C07	C08	H13	50.8°	174.6°
C07	N06	C11	H16	169.4°	66.2°
C08	C07	N06	C11	66.8°	53.6°
C07	C08	C09	H12	120.0°	119.9°
C07	C08	C09	H13	120.0°	120.0°
C07	C08	C09	C10	53.9°	61.3°
C08	C07	H10	H11	121.5°	120.2°
C07	C08	H12	H13	120.1°	120.2°
C07	C08	C09	H14	66.6°	58.8°
C07	C08	C09	H15	174.4°	178.7°
N06	C11	C12	C10	124.1°	119.3°
N06	C11	C12	H16	118.7°	120.3°
N06	C11	C10	H16	119.8°	119.8°
N06	C11	C10	C09	34.9°	54.6°
N06	C11	C10	H1	86.3°	65.4°
N06	C11	C10	H2	156.0°	174.6°
C11	N06	C07	H10	52.7°	173.4°
C11	N06	C07	H11	173.7°	66.2°
N06	C11	C12	H17	180.0°	55.7°
N06	C11	C12	H18	60.0°	175.6°
N06	C11	C12	H19	60.0°	64.4°
C08	C09	C10	C11	37.5°	61.4°
C08	C09	C10	H14	120.5°	120.1°
C08	C09	C10	H15	120.5°	120.0°
C08	C09	C10	H1	83.7°	58.6°
C08	C09	C10	H2	158.6°	178.6°
C09	C08	C07	H10	50.3°	174.4°
C09	C08	C07	H11	171.3°	65.2°
C09	C08	H12	H13	120.0°	120.1°
C08	C09	H14	H15	118.5°	120.0°
C12	C11	C10	H16	117.1°	120.4°
C12	C11	C10	C09	88.2°	174.4°
C12	C11	C10	H1	150.7°	54.5°
C12	C11	C10	H2	32.9°	65.6°
C11	C12	H17	H18	120.0°	119.9°
C11	C12	H17	H19	120.0°	120.0°
C11	C12	H18	H19	120.0°	120.0°
C11	C10	C09	H1	121.1°	119.9°
C11	C10	C09	H2	121.1°	120.0°
C11	C10	H1	H2	116.5°	120.0°
C11	C10	C09	H14	83.0°	58.7°
C11	C10	C09	H15	157.9°	178.6°
C10	C11	C12	H17	55.9°	63.6°
C10	C11	C12	H18	175.9°	56.3°
C10	C11	C12	H19	64.1°	176.3°
C09	C10	H1	H2	116.5°	120.1°
C10	C09	C08	H12	173.9°	58.6°
C10	C09	C08	H13	66.1°	178.7°
C10	C09	H14	H15	118.5°	119.9°
C09	C10	C11	H16	154.7°	65.1°
H1	C10	C09	H14	155.9°	178.6°
H1	C10	C09	H15	36.8°	61.4°
H1	C10	C11	H16	33.6°	174.9°
H2	C10	C09	H14	38.1°	61.3°
H2	C10	C09	H15	80.9°	58.6°
H2	C10	C11	H16	84.2°	54.9°
H3	C01	H4	H5	120.0°	120.0°
H3	C01	C02	H6	56.2°	179.9°
H4	C01	C02	H6	176.2°	60.0°
H5	C01	C02	H6	63.8°	60.0°
H6	C02	N03	H7	56.7°	180.0°
H6	C02	N03	H8	63.3°	56.0°
H10	C07	C08	H12	69.7°	54.6°
H10	C07	C08	H13	170.3°	65.6°
H11	C07	C08	H12	51.3°	174.9°
H11	C07	C08	H13	68.7°	54.8°
H12	C08	C09	H14	53.5°	178.7°
H12	C08	C09	H15	65.6°	61.4°
H13	C08	C09	H14	173.4°	61.3°
H13	C08	C09	H15	54.4°	58.7°
H16	C11	C12	H17	61.3°	176.0°
H16	C11	C12	H18	58.7°	64.1°
H16	C11	C12	H19	178.6°	56.0°
H17	C12	H18	H19	120.0°	120.0°

Release date:	2021-09-22
Definition date:	2021-09-14
Last modified:	2021-09-17
Release status:	REL
Processing site:	RCSB
Derived from:	5SC4