3BO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N12	C11	trip	1.14Å	1.14Å
C11	C10	sing	1.47Å	1.46Å
C10	C07	sing	1.51Å	1.50Å
C07	C05	sing	1.46Å	1.40Å	Aromatic
C07	C08	doub	1.34Å	1.38Å	Aromatic
C06	C05	doub	1.40Å	1.40Å	Aromatic
C06	C01	sing	1.37Å	1.36Å	Aromatic
C05	C04	sing	1.41Å	1.41Å	Aromatic
C08	N09	sing	1.37Å	1.39Å	Aromatic
C01	C02	doub	1.39Å	1.38Å	Aromatic
C04	N09	sing	1.38Å	1.38Å	Aromatic
C04	C03	doub	1.39Å	1.41Å	Aromatic
C02	C03	sing	1.38Å	1.39Å	Aromatic
C01	H1	sing	1.08Å	1.08Å
C02	H2	sing	1.08Å	1.08Å
C03	H3	sing	1.08Å	1.08Å
C06	H4	sing	1.08Å	1.08Å
C08	H5	sing	1.08Å	1.08Å
N09	H6	sing	0.97Å	1.00Å
C10	H7	sing	1.09Å	1.10Å
C10	H8	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N12	C11	C10	179.4°	179.9°
C11	C10	C07	110.0°	109.5°
C11	C10	H7	109.3°	109.5°
C11	C10	H8	109.3°	109.4°
C10	C07	C05	129.7°	126.5°
C10	C07	C08	122.6°	126.5°
C07	C10	H7	109.4°	109.5°
C07	C10	H8	109.3°	109.5°
C05	C07	C08	107.7°	107.1°
C07	C05	C06	134.9°	134.1°
C07	C05	C04	108.0°	106.0°
C07	C08	N09	108.5°	109.9°
C07	C08	H5	125.8°	125.1°
C05	C06	C01	119.5°	119.8°
C06	C05	C04	117.2°	119.9°
C05	C06	H4	120.2°	120.1°
C06	C01	C02	122.8°	120.6°
C06	C01	H1	118.6°	119.8°
C01	C06	H4	120.2°	120.1°
C05	C04	N09	107.0°	107.2°
C05	C04	C03	123.5°	119.3°
C08	N09	C04	108.8°	109.8°
N09	C08	H5	125.8°	125.0°
C08	N09	H6	125.6°	125.1°
C01	C02	C03	120.6°	120.7°
C02	C01	H1	118.6°	119.7°
C01	C02	H2	119.7°	119.7°
N09	C04	C03	129.5°	133.5°
C04	N09	H6	125.6°	125.0°
C04	C03	C02	116.2°	119.7°
C04	C03	H3	121.9°	120.2°
C03	C02	H2	119.7°	119.6°
C02	C03	H3	121.9°	120.1°
H7	C10	H8	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N12	C11	C10	C07	79.8°	108.3°
N12	C11	C10	H7	40.3°	11.7°
N12	C11	C10	H8	160.1°	131.7°
C11	C10	C07	H7	120.1°	120.0°
C11	C10	C07	H8	120.1°	119.9°
C11	C10	C07	C05	65.2°	85.0°
C11	C10	C07	C08	113.7°	95.1°
C11	C10	H7	H8	119.7°	120.0°
C10	C07	C05	C08	179.0°	180.0°
C10	C07	C05	C06	0.3°	0.3°
C10	C07	C05	C04	179.3°	180.0°
C10	C07	C08	N09	179.2°	180.0°
C10	C07	C08	H5	0.7°	0.0°
C07	C10	H7	H8	119.8°	120.0°
C07	C05	C06	C04	179.6°	179.6°
C07	C05	C06	C01	179.9°	179.8°
C05	C07	C08	N09	0.2°	0.0°
C07	C05	C04	N09	0.4°	0.0°
C07	C05	C04	C03	179.8°	180.0°
C07	C05	C06	H4	0.1°	0.3°
C05	C07	C08	H5	179.8°	179.9°
C05	C07	C10	H7	174.7°	155.0°
C05	C07	C10	H8	54.9°	35.0°
C08	C07	C05	C06	179.3°	179.7°
C08	C07	C05	C04	0.3°	0.0°
C07	C08	N09	H5	180.0°	179.9°
C07	C08	N09	C04	0.1°	0.0°
C07	C08	N09	H6	179.9°	179.9°
C08	C07	C10	H7	6.4°	24.9°
C08	C07	C10	H8	126.2°	145.0°
C05	C06	C01	H4	180.0°	179.5°
C05	C06	C01	C02	1.3°	0.6°
C06	C05	C04	N09	179.3°	179.8°
C06	C05	C04	C03	0.5°	0.3°
C05	C06	C01	H1	178.7°	179.7°
C01	C06	C05	C04	0.5°	0.6°
C06	C01	C02	H1	180.0°	179.7°
C06	C01	C02	C03	3.1°	0.3°
C06	C01	C02	H2	176.9°	179.7°
C05	C04	N09	C08	0.3°	0.0°
C05	C04	N09	C03	179.8°	180.0°
C05	C04	C03	C02	1.1°	0.1°
C05	C04	C03	H3	178.9°	179.9°
C04	C05	C06	H4	179.5°	180.0°
C05	C04	N09	H6	179.7°	180.0°
C08	N09	C04	H6	180.0°	179.9°
C08	N09	C04	C03	179.9°	180.0°
C01	C02	C03	C04	2.9°	0.0°
C01	C02	C03	H2	180.0°	180.0°
C01	C02	C03	H3	177.2°	179.9°
C02	C01	C06	H4	178.7°	180.0°
N09	C04	C03	C02	179.1°	179.9°
N09	C04	C03	H3	0.9°	0.0°
C04	N09	C08	H5	179.9°	179.9°
C04	C03	C02	H3	180.0°	179.9°
C04	C03	C02	H2	177.1°	180.0°
C03	C04	N09	H6	0.1°	0.1°
C03	C02	C01	H1	176.9°	180.0°
H1	C01	C02	H2	3.1°	0.0°
H1	C01	C06	H4	1.3°	0.2°
H2	C02	C03	H3	2.9°	0.1°
H5	C08	N09	H6	0.0°	0.0°

Release date:	2019-02-06
Definition date:	2014-07-18
Last modified:	2019-02-01
Release status:	REL
Processing site:	RCSB
Derived from:	4U2O