A1EVL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C6	sing	1.39Å	1.43Å
C6	C7	sing	1.51Å	1.54Å
C6	C5	sing	1.54Å	1.54Å
O1	C1	sing	1.40Å	1.43Å
C7	C11	sing	1.51Å	1.56Å
C7	C8	sing	1.55Å	1.55Å
C11	C1	sing	1.51Å	1.54Å
C11	C10	sing	1.55Å	1.55Å
C5	C4	sing	1.53Å	1.53Å
C1	C2	sing	1.53Å	1.54Å
C8	C9	sing	1.52Å	1.53Å
C8	C4	sing	1.55Å	1.54Å
C9	C10	sing	1.52Å	1.53Å
C4	C3	sing	1.51Å	1.55Å
C10	C3	sing	1.54Å	1.54Å
C2	C3	sing	1.53Å	1.53Å
C4	H1	sing	1.11Å	1.10Å
C5	H2	sing	1.10Å	1.10Å
C5	H3	sing	1.08Å	1.10Å
C6	H4	sing	1.16Å	1.10Å
C7	H5	sing	1.12Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C10	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.14Å	1.10Å
C11	H9	sing	1.11Å	1.10Å
C2	H10	sing	1.11Å	1.10Å
C2	H11	sing	1.06Å	1.10Å
C3	H12	sing	1.10Å	1.10Å
C9	H13	sing	1.09Å	1.10Å
C9	H14	sing	1.09Å	1.10Å
O1	H15	sing	0.97Å	0.95Å
O2	H16	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C6	C7	115.1°	123.6°
O2	C6	C5	113.1°	115.9°
O2	C6	H4	108.7°	101.2°
C6	O2	H16	109.5°	114.0°
C7	C6	C5	104.9°	108.3°
C6	C7	C11	124.5°	111.5°
C6	C7	C8	98.2°	103.2°
C7	C6	H4	107.3°	102.5°
C6	C7	H5	110.1°	113.9°
C6	C5	C4	104.1°	104.5°
C6	C5	H2	110.8°	108.8°
C6	C5	H3	110.8°	113.1°
C5	C6	H4	107.4°	101.4°
O1	C1	C11	113.6°	117.9°
O1	C1	C2	113.2°	118.4°
O1	C1	H8	109.1°	104.2°
C1	O1	H15	109.5°	114.0°
C11	C7	C8	102.5°	102.0°
C7	C11	C1	122.6°	114.3°
C7	C11	C10	102.9°	102.4°
C11	C7	H5	109.9°	114.1°
C7	C11	H9	110.0°	114.8°
C7	C8	C9	104.6°	106.2°
C7	C8	C4	97.9°	103.3°
C8	C7	H5	110.0°	110.9°
C7	C8	H6	115.4°	113.2°
C1	C11	C10	99.8°	96.8°
C11	C1	C2	105.2°	105.3°
C11	C1	H8	107.6°	105.3°
C1	C11	H9	110.2°	114.2°
C11	C10	C9	104.7°	102.7°
C11	C10	C3	97.6°	102.9°
C11	C10	H7	115.6°	114.0°
C10	C11	H9	110.2°	112.1°
C5	C4	C8	104.2°	100.6°
C5	C4	C3	115.7°	110.6°
C5	C4	H1	111.3°	114.4°
C4	C5	H2	110.8°	109.4°
C4	C5	H3	110.8°	113.1°
C1	C2	C3	104.0°	105.1°
C2	C1	H8	107.7°	104.1°
C1	C2	H10	110.8°	107.3°
C1	C2	H11	110.8°	114.2°
C9	C8	C4	105.1°	103.8°
C8	C9	C10	94.6°	91.3°
C9	C8	H6	116.0°	115.2°
C8	C9	H13	113.0°	113.2°
C8	C9	H14	113.0°	113.1°
C8	C4	C3	102.9°	100.9°
C8	C4	H1	111.2°	113.3°
C4	C8	H6	115.7°	114.0°
C9	C10	C3	105.0°	105.6°
C9	C10	H7	116.0°	116.0°
C10	C9	H13	113.0°	113.2°
C10	C9	H14	113.0°	113.2°
C4	C3	C10	103.1°	103.6°
C4	C3	C2	117.2°	109.4°
C3	C4	H1	111.0°	115.3°
C4	C3	H12	110.5°	114.5°
C10	C3	C2	104.1°	103.5°
C3	C10	H7	115.7°	114.2°
C10	C3	H12	110.6°	111.9°
C3	C2	H10	110.8°	107.2°
C3	C2	H11	110.8°	116.1°
C2	C3	H12	110.7°	112.9°
H2	C5	H3	109.5°	107.8°
H10	C2	H11	109.4°	106.5°
H13	C9	H14	109.5°	111.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C6	C7	C5	125.0°	140.6°
O2	C6	C7	H4	121.1°	112.8°
O2	C6	C5	H4	119.9°	108.6°
O2	C6	C7	C11	56.4°	43.9°
O2	C6	C7	C8	167.7°	152.6°
O2	C6	C5	C4	140.7°	128.1°
O2	C6	C5	H2	21.6°	115.1°
O2	C6	C5	H3	100.1°	4.7°
O2	C6	C7	H5	77.4°	87.0°
C7	C6	C5	H4	113.9°	107.4°
C6	C7	C11	C8	109.2°	109.5°
C6	C7	C11	H5	133.9°	130.8°
C6	C7	C8	H5	115.0°	122.4°
C6	C7	C11	C1	1.2°	1.9°
C6	C7	C11	C10	109.5°	101.5°
C7	C6	C5	C4	14.5°	15.9°
C6	C7	C8	C9	161.5°	144.3°
C6	C7	C8	C4	53.6°	35.4°
C7	C6	C5	H2	104.6°	100.9°
C7	C6	C5	H3	133.6°	139.3°
C6	C7	C8	H6	69.8°	88.4°
C6	C7	C11	H9	133.2°	136.7°
C7	C6	O2	H16	180.0°	180.0°
C5	C6	C7	C11	68.6°	96.6°
C5	C6	C7	C8	42.7°	12.1°
C6	C5	C4	H2	119.1°	116.4°
C6	C5	C4	H3	119.1°	123.5°
C6	C5	C4	C8	20.0°	37.0°
C6	C5	C4	C3	92.2°	69.1°
C6	C5	C4	H1	139.9°	158.7°
C6	C5	H2	H3	122.5°	123.0°
C5	C6	C7	H5	157.6°	132.5°
C5	C6	O2	H16	59.4°	42.1°
O1	C1	C11	C7	50.6°	73.8°
O1	C1	C11	C2	124.4°	134.7°
O1	C1	C11	H8	121.0°	115.6°
O1	C1	C11	C10	162.9°	179.3°
O1	C1	C2	H8	120.8°	115.0°
O1	C1	C2	C3	133.7°	160.1°
O1	C1	C11	H9	81.2°	61.3°
O1	C1	C2	H10	107.2°	86.0°
O1	C1	C2	H11	14.5°	31.8°
C11	C7	C8	H5	116.8°	121.9°
C7	C11	C1	C10	112.3°	106.9°
C7	C11	C1	H9	131.8°	135.1°
C7	C11	C10	H9	117.2°	123.6°
C7	C11	C1	C2	73.8°	60.9°
C11	C7	C8	C9	33.4°	28.6°
C11	C7	C8	C4	74.6°	80.3°
C7	C11	C10	C9	32.9°	42.4°
C7	C11	C10	C3	74.9°	67.1°
C11	C7	C6	H4	177.5°	156.7°
C11	C7	C8	H6	162.0°	155.9°
C7	C11	C10	H7	161.8°	168.7°
C7	C11	C1	H8	171.6°	170.7°
C8	C7	C11	C1	110.4°	111.5°
C8	C7	C11	C10	0.3°	8.0°
C7	C8	C4	C5	46.3°	44.9°
C7	C8	C9	C4	102.6°	108.5°
C7	C8	C9	H6	128.3°	126.1°
C7	C8	C4	H6	123.2°	123.2°
C7	C8	C9	C10	51.9°	52.1°
C7	C8	C4	C3	74.8°	68.7°
C7	C8	C4	H1	166.2°	167.5°
C8	C7	C6	H4	71.2°	94.6°
C8	C7	C11	H9	117.6°	113.7°
C7	C8	C9	H13	169.4°	168.0°
C7	C8	C9	H14	65.6°	64.0°
C1	C11	C10	H9	115.9°	119.6°
C11	C1	C2	H8	114.6°	110.5°
C1	C11	C10	C9	159.8°	159.2°
C1	C11	C10	C3	52.0°	49.6°
C11	C1	C2	C3	9.0°	25.7°
C1	C11	C7	H5	132.6°	128.9°
C1	C11	C10	H7	71.3°	74.5°
C11	C1	C2	H10	128.2°	139.6°
C11	C1	C2	H11	110.1°	102.7°
C11	C1	O1	H15	180.0°	169.8°
C10	C11	C1	C2	38.5°	46.0°
C11	C10	C9	C8	51.8°	56.4°
C11	C10	C9	C3	102.3°	107.5°
C11	C10	C9	H7	128.7°	125.0°
C11	C10	C3	C4	75.2°	78.9°
C11	C10	C3	H7	123.2°	124.1°
C11	C10	C3	C2	47.7°	35.2°
C10	C11	C7	H5	116.6°	127.7°
C10	C11	C1	H8	76.2°	63.8°
C11	C10	C3	H12	166.7°	157.2°
C11	C10	C9	H13	169.2°	172.4°
C11	C10	C9	H14	65.7°	59.6°
C5	C4	C8	C9	153.8°	155.6°
C5	C4	C8	C3	121.1°	113.6°
C5	C4	C8	H1	120.0°	122.5°
C5	C4	C3	H1	128.0°	131.8°
C5	C4	C3	C10	113.1°	113.6°
C5	C4	C3	C2	0.6°	3.8°
C4	C5	H2	H3	122.5°	123.3°
C4	C5	C6	H4	99.4°	123.3°
C5	C4	C8	H6	77.0°	78.3°
C5	C4	C3	H12	128.7°	124.2°
C1	C2	C3	C4	88.8°	103.5°
C1	C2	C3	C10	24.3°	6.3°
C1	C2	C3	H10	119.1°	114.0°
C1	C2	C3	H11	119.1°	127.2°
C2	C1	C11	H9	154.4°	164.0°
C1	C2	H10	H11	122.5°	122.7°
C1	C2	C3	H12	143.2°	127.6°
C2	C1	O1	H15	60.1°	61.4°
C9	C8	C4	H6	129.3°	126.1°
C8	C9	C10	H13	117.4°	116.0°
C8	C9	C10	H14	117.5°	116.0°
C9	C8	C4	C3	32.7°	42.0°
C8	C9	C10	C3	50.5°	51.1°
C9	C8	C4	H1	86.3°	81.8°
C9	C8	C7	H5	83.5°	93.3°
C8	C9	C10	H7	179.6°	178.6°
C8	C9	H13	H14	127.0°	128.9°
C4	C8	C9	C10	50.7°	56.5°
C8	C4	C3	H1	119.0°	122.4°
C8	C4	C3	C10	0.2°	7.8°
C8	C4	C3	C2	113.5°	102.0°
C8	C4	C5	H2	139.1°	79.4°
C8	C4	C5	H3	99.1°	160.4°
C4	C8	C7	H5	168.6°	157.8°
C8	C4	C3	H12	118.4°	130.0°
C4	C8	C9	H13	66.8°	59.5°
C4	C8	C9	H14	168.1°	172.5°
C9	C10	C3	C4	32.4°	28.4°
C9	C10	C3	H7	129.2°	128.6°
C9	C10	C3	C2	155.2°	142.6°
C10	C9	C8	H6	179.8°	178.2°
C9	C10	C11	H9	84.3°	81.2°
C9	C10	C3	H12	85.8°	95.5°
C10	C9	H13	H14	127.0°	129.0°
C4	C3	C10	C2	122.9°	114.2°
C4	C3	C10	H12	118.1°	123.9°
C4	C3	C2	H12	128.0°	128.9°
C3	C4	C5	H2	27.0°	174.5°
C3	C4	C5	H3	148.7°	54.4°
C3	C4	C8	H6	161.9°	168.1°
C4	C3	C10	H7	161.6°	157.0°
C4	C3	C2	H10	152.1°	142.5°
C4	C3	C2	H11	30.4°	23.7°
C10	C3	C2	H12	118.9°	121.2°
C10	C3	C4	H1	118.9°	114.6°
C3	C10	C11	H9	167.9°	169.3°
C10	C3	C2	H10	94.9°	107.6°
C10	C3	C2	H11	143.4°	133.6°
C3	C10	C9	H13	66.9°	64.9°
C3	C10	C9	H14	168.0°	167.0°
C2	C3	C4	H1	127.5°	135.5°
C2	C3	C10	H7	75.5°	88.8°
C3	C2	C1	H8	105.6°	84.8°
C3	C2	H10	H11	122.5°	124.8°
H1	C4	C5	H2	101.0°	42.3°
H1	C4	C5	H3	20.8°	77.8°
H1	C4	C8	H6	43.0°	44.3°
H1	C4	C3	H12	0.6°	7.5°
H2	C5	C6	H4	141.5°	6.5°
H3	C5	C6	H4	19.8°	113.3°
H4	C6	C7	H5	43.7°	25.8°
H4	C6	O2	H16	59.7°	66.6°
H5	C7	C8	H6	45.2°	34.0°
H5	C7	C11	H9	0.7°	5.9°
H6	C8	C9	H13	62.3°	65.8°
H6	C8	C9	H14	62.8°	62.1°
H7	C10	C11	H9	44.6°	45.1°
H7	C10	C3	H12	43.5°	33.1°
H7	C10	C9	H13	62.1°	62.7°
H7	C10	C9	H14	63.0°	65.4°
H8	C1	C11	H9	39.7°	54.2°
H8	C1	C2	H10	13.6°	29.0°
H8	C1	C2	H11	135.3°	146.8°
H8	C1	O1	H15	59.8°	53.6°
H10	C2	C3	H12	24.1°	13.6°
H11	C2	C3	H12	97.6°	105.2°

Release date:	2025-08-27
Definition date:	2025-08-13
Last modified:	2025-08-22
Release status:	REL
Processing site:	PDBC
Derived from:	9KXJ