A1EHT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.50Å
C2	N1	sing	1.35Å	1.36Å
N1	C3	sing	1.38Å	1.40Å
C3	N2	doub	1.33Å	1.33Å
N2	C4	sing	1.33Å	1.36Å
C4	N3	sing	1.35Å	1.40Å
N3	C5	sing	1.47Å	1.48Å
C5	O1	sing	1.44Å	1.41Å
C5	C6	sing	1.55Å	1.53Å
C6	C7	sing	1.55Å	1.53Å
C7	C8	sing	1.54Å	1.53Å
C8	C9	sing	1.53Å	1.51Å
C9	O2	sing	1.43Å	1.42Å
C7	O3	sing	1.43Å	1.42Å
C6	O4	sing	1.43Å	1.41Å
N3	C10	sing	1.36Å	1.36Å
C10	C11	doub	1.35Å	1.34Å
C4	O5	doub	1.22Å	1.25Å
C2	O6	doub	1.21Å	1.21Å
C3	C11	sing	1.41Å	1.41Å
O1	C8	sing	1.44Å	1.44Å
N1	H4	sing	0.97Å	1.00Å
C5	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C10	H14	sing	1.08Å	1.08Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C11	H15	sing	1.08Å	1.08Å
C9	H10	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
O2	H11	sing	0.97Å	0.95Å
O3	H12	sing	0.97Å	0.95Å
O4	H13	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	N1	112.4°	120.0°
C1	C2	O6	122.8°	120.0°
C2	C1	H1	109.5°	109.5°
C2	C1	H2	109.4°	109.5°
C2	C1	H3	109.4°	109.5°
C2	N1	C3	132.0°	120.0°
N1	C2	O6	124.5°	120.0°
C2	N1	H4	114.0°	120.0°
N1	C3	N2	118.0°	120.2°
N1	C3	C11	117.6°	120.2°
C3	N1	H4	114.0°	120.0°
C3	N2	C4	119.0°	120.8°
N2	C3	C11	124.0°	119.6°
N2	C4	N3	118.2°	121.1°
N2	C4	O5	122.9°	119.5°
C4	N3	C5	121.9°	119.9°
C4	N3	C10	121.2°	120.3°
N3	C4	O5	118.9°	119.4°
N3	C5	O1	106.3°	110.4°
N3	C5	C6	114.4°	110.4°
C5	N3	C10	116.9°	119.9°
N3	C5	H5	109.2°	110.3°
O1	C5	C6	108.0°	104.8°
C5	O1	C8	109.1°	105.3°
O1	C5	H5	110.3°	110.4°
C5	C6	C7	101.2°	104.0°
C5	C6	O4	105.7°	110.5°
C6	C5	H5	108.7°	110.4°
C5	C6	H6	111.5°	110.5°
C6	C7	C8	101.0°	104.1°
C6	C7	O3	113.2°	110.5°
C7	C6	O4	112.5°	110.5°
C7	C6	H6	111.5°	110.5°
C6	C7	H7	109.2°	110.4°
C7	C8	C9	116.4°	110.4°
C8	C7	O3	113.0°	110.5°
C7	C8	O1	103.0°	104.8°
C8	C7	H7	109.2°	110.5°
C7	C8	H8	108.5°	110.4°
C8	C9	O2	111.6°	109.5°
C9	C8	O1	110.4°	110.4°
C9	C8	H8	108.7°	110.3°
C8	C9	H10	108.9°	109.5°
C8	C9	H9	108.9°	109.5°
O2	C9	H10	108.9°	109.5°
O2	C9	H9	108.9°	109.4°
C9	O2	H11	109.5°	114.0°
O3	C7	H7	110.8°	110.6°
C7	O3	H12	109.5°	114.0°
O4	C6	H6	113.5°	110.6°
C6	O4	H13	109.5°	114.0°
N3	C10	C11	121.3°	119.3°
N3	C10	H14	119.3°	120.3°
C10	C11	C3	116.3°	119.0°
C11	C10	H14	119.4°	120.4°
C10	C11	H15	121.9°	120.5°
C3	C11	H15	121.9°	120.5°
O1	C8	H8	109.6°	110.5°
H1	C1	H2	109.5°	109.4°
H1	C1	H3	109.5°	109.5°
H2	C1	H3	109.5°	109.4°
H10	C9	H9	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	N1	O6	173.6°	180.0°
C1	C2	N1	C3	155.1°	180.0°
C1	C2	N1	H4	24.9°	0.3°
C2	C1	H1	H2	120.0°	120.0°
C2	C1	H1	H3	120.0°	120.1°
C2	C1	H2	H3	120.0°	120.0°
C2	N1	C3	H4	180.0°	179.7°
C2	N1	C3	N2	20.9°	0.3°
C2	N1	C3	C11	166.1°	179.5°
N1	C2	C1	H1	173.8°	0.0°
N1	C2	C1	H2	66.3°	120.0°
N1	C2	C1	H3	53.7°	120.0°
N1	C3	N2	C11	172.5°	179.8°
N1	C3	N2	C4	175.8°	180.0°
N1	C3	C11	C10	175.1°	180.0°
C3	N1	C2	O6	31.3°	0.0°
N1	C3	C11	H15	4.9°	0.0°
C3	N2	C4	N3	1.6°	0.0°
N2	C3	C11	C10	2.6°	0.2°
C3	N2	C4	O5	178.7°	180.0°
N2	C3	N1	H4	159.1°	180.0°
N2	C3	C11	H15	177.5°	179.8°
N2	C4	N3	O5	179.7°	179.9°
N2	C4	N3	C5	178.0°	180.0°
N2	C4	N3	C10	0.6°	0.2°
C4	N2	C3	C11	3.3°	0.2°
C4	N3	C5	C10	177.5°	179.8°
C4	N3	C5	O1	143.8°	53.3°
C4	N3	C5	C6	97.2°	62.0°
C4	N3	C10	C11	1.2°	0.2°
C4	N3	C5	H5	24.8°	175.6°
C4	N3	C10	H14	178.8°	179.9°
N3	C5	O1	C6	123.1°	118.8°
N3	C5	O1	H5	118.3°	122.3°
N3	C5	C6	H5	122.3°	122.3°
N3	C5	C6	C7	97.6°	142.8°
N3	C5	C6	O4	144.9°	98.5°
C5	N3	C10	C11	178.8°	180.0°
C5	N3	C4	O5	1.7°	0.1°
N3	C5	O1	C8	128.9°	159.4°
N3	C5	C6	H6	21.1°	24.2°
C5	N3	C10	H14	1.2°	0.1°
O1	C5	C6	H5	119.6°	118.9°
O1	C5	C6	C7	20.5°	24.0°
C5	O1	C8	C7	29.8°	40.5°
C5	O1	C8	C9	154.8°	159.4°
O1	C5	C6	O4	97.0°	142.6°
O1	C5	N3	C10	33.7°	126.5°
O1	C5	C6	H6	139.2°	94.6°
C5	O1	C8	H8	85.5°	78.3°
C5	C6	C7	O4	112.4°	118.6°
C5	C6	C7	H6	118.7°	118.6°
C5	C6	C7	C8	36.9°	0.0°
C5	C6	C7	O3	158.1°	118.7°
C5	C6	O4	H6	122.6°	122.7°
C6	C5	N3	C10	85.3°	118.2°
C6	C5	O1	C8	5.8°	40.5°
C5	C6	C7	H7	78.0°	118.7°
C5	C6	O4	H13	180.0°	180.0°
C6	C7	C8	O3	121.3°	118.6°
C6	C7	C8	H7	115.0°	118.6°
C6	C7	C8	C9	162.3°	142.8°
C6	C7	O3	H7	123.0°	122.6°
C7	C6	O4	H6	127.8°	122.7°
C6	C7	C8	O1	41.4°	24.0°
C7	C6	C5	H5	140.1°	94.9°
C6	C7	C8	H8	74.8°	95.0°
C6	C7	O3	H12	180.0°	180.0°
C7	C6	O4	H13	70.3°	65.4°
C7	C8	C9	O1	116.8°	115.4°
C7	C8	C9	H8	122.9°	122.3°
C7	C8	C9	O2	60.1°	175.0°
C8	C7	O3	H7	122.9°	122.7°
C8	C7	C6	O4	75.5°	118.6°
C7	C8	O1	H8	115.3°	118.9°
C8	C7	C6	H6	155.7°	118.6°
C7	C8	C9	H10	179.5°	55.0°
C7	C8	C9	H9	60.2°	65.0°
C8	C7	O3	H12	65.9°	65.4°
C8	C9	O2	H10	120.3°	120.0°
C8	C9	O2	H9	120.3°	120.0°
C9	C8	C7	O3	76.4°	98.5°
C9	C8	O1	H8	119.7°	122.3°
C9	C8	C7	H7	47.3°	24.2°
C8	C9	H10	H9	119.0°	120.0°
C8	C9	O2	H11	180.0°	180.0°
O2	C9	C8	O1	56.7°	69.6°
O2	C9	C8	H8	177.0°	52.8°
O2	C9	H10	H9	119.0°	120.0°
O3	C7	C6	O4	45.6°	0.0°
O3	C7	C8	O1	162.7°	142.6°
O3	C7	C6	H6	83.2°	122.7°
O3	C7	C8	H8	46.5°	23.7°
O4	C6	C5	H5	22.6°	23.7°
O4	C6	C7	H7	169.5°	122.7°
N3	C10	C11	H14	180.0°	179.9°
C10	N3	C4	O5	179.2°	179.7°
N3	C10	C11	C3	0.2°	0.1°
C10	N3	C5	H5	152.7°	4.2°
N3	C10	C11	H15	179.8°	180.0°
C10	C11	C3	H15	180.0°	179.9°
O6	C2	N1	H4	148.7°	179.7°
O6	C2	C1	H1	0.0°	180.0°
O6	C2	C1	H2	120.0°	60.0°
O6	C2	C1	H3	120.0°	60.0°
C11	C3	N1	H4	13.9°	0.2°
C3	C11	C10	H14	179.8°	179.9°
C8	O1	C5	H5	112.8°	78.4°
O1	C8	C7	H7	73.6°	94.6°
O1	C8	C9	H10	63.6°	170.3°
O1	C8	C9	H9	177.0°	50.3°
H5	C5	C6	H6	101.2°	146.4°
H6	C6	C7	H7	40.7°	0.0°
H6	C6	O4	H13	57.5°	57.3°
H7	C7	C8	H8	170.3°	146.5°
H7	C7	O3	H12	57.0°	57.4°
H8	C8	C9	H10	56.7°	67.3°
H8	C8	C9	H9	62.7°	172.7°
H14	C10	C11	H15	0.2°	0.1°
H1	C1	H2	H3	120.0°	120.0°
H10	C9	O2	H11	59.7°	59.9°
H9	C9	O2	H11	59.6°	60.1°

Release date:	2025-08-20
Definition date:	2024-12-12
Last modified:	2025-08-15
Release status:	REL
Processing site:	PDBC
Derived from:	9KYH