2BN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	N3	sing	1.49Å	1.49Å
C2	C7	sing	1.58Å	1.57Å
C2	C8	sing	1.57Å	1.54Å
C2	C11	sing	1.53Å	1.50Å
N3	C4	sing	1.49Å	1.35Å
N3	HN3	sing	1.01Å	1.02Å
C4	C5	sing	1.56Å	1.55Å
C4	HC41	sing	1.09Å	1.12Å
C4	HC42	sing	1.09Å	1.11Å
C5	C6	sing	1.56Å	1.57Å
C5	C8	sing	1.57Å	1.54Å
C5	HC5	sing	1.09Å	1.12Å
C6	C7	sing	1.55Å	1.56Å
C6	HC61	sing	1.09Å	1.12Å
C6	HC62	sing	1.09Å	1.11Å
C7	HC71	sing	1.09Å	1.11Å
C7	HC72	sing	1.09Å	1.11Å
C8	C9	sing	1.53Å	1.54Å
C8	C10	sing	1.53Å	1.55Å
C9	HC91	sing	1.09Å	1.12Å
C9	HC92	sing	1.09Å	1.11Å
C9	HC93	sing	1.09Å	1.11Å
C10	H101	sing	1.09Å	1.12Å
C10	H102	sing	1.09Å	1.11Å
C10	H103	sing	1.09Å	1.12Å
C11	H111	sing	1.09Å	1.12Å
C11	H112	sing	1.09Å	1.11Å
C11	H113	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N3	C2	C7	103.7°	104.7°
N3	C2	C8	104.3°	101.9°
N3	C2	C11	114.1°	116.3°
C2	N3	C4	108.3°	106.1°
C2	N3	HN3	112.6°	106.7°
C7	C2	C8	104.7°	99.9°
C7	C2	C11	112.1°	115.8°
C2	C7	C6	100.5°	104.4°
C2	C7	HC71	115.7°	110.9°
C2	C7	HC72	115.6°	110.1°
C8	C2	C11	116.7°	116.0°
C2	C8	C5	88.5°	95.2°
C2	C8	C9	116.6°	112.2°
C2	C8	C10	114.7°	112.2°
C2	C11	H111	114.1°	109.4°
C2	C11	H112	110.5°	109.5°
C2	C11	H113	110.5°	109.5°
C4	N3	HN3	112.7°	107.5°
N3	C4	C5	102.5°	105.2°
N3	C4	HC41	114.9°	110.4°
N3	C4	HC42	114.9°	110.3°
C5	C4	HC41	114.8°	109.0°
C5	C4	HC42	114.8°	111.6°
C4	C5	C6	103.7°	104.8°
C4	C5	C8	104.8°	99.5°
C4	C5	HC5	114.4°	116.4°
HC41	C4	HC42	95.6°	110.3°
C6	C5	C8	104.8°	100.5°
C6	C5	HC5	114.5°	116.3°
C5	C6	C7	101.1°	104.1°
C5	C6	HC61	115.4°	110.5°
C5	C6	HC62	115.4°	110.5°
C8	C5	HC5	113.5°	116.7°
C5	C8	C9	115.7°	112.2°
C5	C8	C10	115.3°	112.2°
C7	C6	HC61	115.4°	110.5°
C7	C6	HC62	115.5°	110.5°
C6	C7	HC71	115.6°	110.4°
C6	C7	HC72	115.6°	110.4°
HC61	C6	HC62	95.0°	110.6°
HC71	C7	HC72	94.9°	110.5°
C9	C8	C10	105.8°	111.8°
C8	C9	HC91	116.6°	109.5°
C8	C9	HC92	109.6°	109.5°
C8	C9	HC93	109.7°	109.5°
C8	C10	H101	114.7°	109.5°
C8	C10	H102	110.4°	109.5°
C8	C10	H103	110.3°	109.5°
HC91	C9	HC92	109.6°	109.4°
HC91	C9	HC93	109.6°	109.5°
HC92	C9	HC93	100.5°	109.4°
H101	C10	H102	110.3°	109.5°
H101	C10	H103	110.2°	109.4°
H102	C10	H103	99.9°	109.5°
H111	C11	H112	110.6°	109.5°
H111	C11	H113	110.4°	109.4°
H112	C11	H113	99.8°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N3	C2	C7	C8	109.0°	105.3°
N3	C2	C7	C11	123.6°	129.4°
N3	C2	C8	C11	126.9°	127.4°
C2	N3	C4	HN3	125.2°	113.9°
C2	N3	C4	C5	0.1°	0.6°
C2	N3	C4	HC41	125.3°	118.0°
C2	N3	C4	HC42	125.2°	119.8°
N3	C2	C8	C5	50.3°	52.6°
N3	C2	C7	C6	70.6°	70.7°
N3	C2	C7	HC71	54.6°	170.4°
N3	C2	C7	HC72	164.2°	47.8°
N3	C2	C8	C9	67.8°	64.0°
N3	C2	C8	C10	167.6°	169.1°
N3	C2	C11	H111	179.9°	62.5°
N3	C2	C11	H112	54.7°	57.5°
N3	C2	C11	H113	54.8°	177.5°
C7	C2	C8	C11	124.5°	125.2°
C7	C2	N3	C4	74.4°	70.6°
C7	C2	N3	HN3	50.8°	43.8°
C2	C7	C6	C5	0.2°	0.4°
C7	C2	C8	C5	58.3°	54.9°
C2	C7	C6	HC71	125.3°	119.3°
C2	C7	C6	HC72	125.2°	118.3°
C2	C7	C6	HC61	125.4°	118.2°
C2	C7	C6	HC62	125.1°	119.1°
C2	C7	HC71	HC72	121.5°	122.4°
C7	C2	C8	C9	176.5°	171.5°
C7	C2	C8	C10	59.0°	61.6°
C7	C2	C11	H111	62.5°	61.0°
C7	C2	C11	H112	62.8°	178.9°
C7	C2	C11	H113	172.3°	58.9°
C8	C2	N3	C4	34.9°	33.1°
C8	C2	N3	HN3	160.2°	147.6°
C2	C8	C5	C4	50.7°	51.4°
C2	C8	C5	C6	58.2°	55.7°
C2	C8	C5	C9	119.0°	116.5°
C2	C8	C5	C10	116.7°	116.6°
C2	C8	C5	HC5	176.2°	177.5°
C8	C2	C7	C6	38.4°	34.5°
C8	C2	C7	HC71	163.7°	84.4°
C8	C2	C7	HC72	86.8°	153.0°
C2	C8	C9	C10	128.9°	127.1°
C2	C8	C9	HC91	180.0°	173.6°
C2	C8	C9	HC92	54.7°	66.4°
C2	C8	C9	HC93	54.7°	53.6°
C2	C8	C10	H101	180.0°	173.6°
C2	C8	C10	H102	54.7°	53.6°
C2	C8	C10	H103	54.8°	66.4°
C8	C2	C11	H111	58.1°	177.6°
C8	C2	C11	H112	176.6°	62.3°
C8	C2	C11	H113	67.1°	57.7°
C11	C2	N3	C4	163.4°	160.3°
C11	C2	N3	HN3	71.4°	85.3°
C11	C2	C8	C5	177.2°	179.9°
C11	C2	C7	C6	165.8°	159.8°
C11	C2	C7	HC71	69.0°	40.9°
C11	C2	C7	HC72	40.6°	81.7°
C11	C2	C8	C9	59.0°	63.4°
C11	C2	C8	C10	65.5°	63.5°
C2	C11	H111	H112	125.3°	120.1°
C2	C11	H111	H113	125.2°	119.9°
C2	C11	H112	H113	116.4°	120.0°
N3	C4	C5	HC41	125.3°	118.4°
N3	C4	C5	HC42	125.3°	119.6°
N3	C4	HC41	HC42	120.8°	122.1°
N3	C4	C5	C6	74.6°	69.8°
N3	C4	C5	C8	35.0°	33.8°
N3	C4	C5	HC5	160.0°	160.1°
HN3	N3	C4	C5	125.3°	113.2°
HN3	N3	C4	HC41	109.5°	4.2°
HN3	N3	C4	HC42	0.1°	126.3°
C5	C4	HC41	HC42	120.7°	122.8°
C4	C5	C6	C8	109.7°	102.9°
C4	C5	C6	HC5	125.4°	130.1°
C4	C5	C8	HC5	125.5°	126.1°
C4	C5	C6	C7	71.5°	67.7°
C4	C5	C6	HC61	163.3°	173.7°
C4	C5	C6	HC62	53.8°	51.0°
C4	C5	C8	C9	68.4°	65.1°
C4	C5	C8	C10	167.4°	168.0°
HC41	C4	C5	C6	160.1°	48.5°
HC41	C4	C5	C8	90.2°	152.2°
HC41	C4	C5	HC5	34.7°	81.5°
HC42	C4	C5	C6	50.7°	170.6°
HC42	C4	C5	C8	160.3°	85.8°
HC42	C4	C5	HC5	74.8°	40.5°
C6	C5	C8	HC5	125.6°	126.8°
C5	C6	C7	HC61	125.2°	118.6°
C5	C6	C7	HC62	125.2°	118.6°
C5	C6	HC61	HC62	121.2°	122.7°
C5	C6	C7	HC71	125.4°	119.7°
C5	C6	C7	HC72	125.0°	117.9°
C6	C5	C8	C9	177.2°	172.3°
C6	C5	C8	C10	58.5°	60.9°
C8	C5	C6	C7	38.2°	35.2°
C8	C5	C6	HC61	87.0°	83.4°
C8	C5	C6	HC62	163.5°	153.9°
C5	C8	C9	C10	129.0°	127.1°
C5	C8	C9	HC91	78.0°	67.8°
C5	C8	C9	HC92	156.8°	172.2°
C5	C8	C9	HC93	47.3°	52.3°
C5	C8	C10	H101	79.3°	67.8°
C5	C8	C10	H102	46.0°	52.3°
C5	C8	C10	H103	155.5°	172.3°
HC5	C5	C6	C7	163.2°	162.3°
HC5	C5	C6	HC61	37.9°	43.6°
HC5	C5	C6	HC62	71.5°	79.1°
HC5	C5	C8	C9	57.2°	61.0°
HC5	C5	C8	C10	67.1°	65.9°
C7	C6	HC61	HC62	121.3°	122.7°
C6	C7	HC71	HC72	121.5°	122.4°
HC61	C6	C7	HC71	109.3°	1.0°
HC61	C6	C7	HC72	0.2°	123.4°
HC62	C6	C7	HC71	0.2°	121.7°
HC62	C6	C7	HC72	109.7°	0.7°
C8	C9	HC91	HC92	125.3°	120.0°
C8	C9	HC91	HC93	125.3°	120.1°
C8	C9	HC92	HC93	115.4°	120.0°
C9	C8	C10	H101	49.9°	59.3°
C9	C8	C10	H102	175.2°	179.3°
C9	C8	C10	H103	75.3°	60.7°
C10	C8	C9	HC91	51.1°	59.3°
C10	C8	C9	HC92	74.2°	60.7°
C10	C8	C9	HC93	176.4°	179.3°
C8	C10	H101	H102	125.3°	120.0°
C8	C10	H101	H103	125.3°	120.0°
C8	C10	H102	H103	116.2°	120.0°
HC91	C9	HC92	HC93	115.3°	120.0°
H101	C10	H102	H103	116.1°	120.0°
H111	C11	H112	H113	116.3°	120.0°

Definition date:	2002-11-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1N23