A1H0B

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N11	C10	sing	1.49Å	1.50Å
N11	C12	sing	1.48Å	1.48Å
C10	C9	sing	1.55Å	1.55Å
C12	C14	sing	1.51Å	1.51Å
C12	C7	sing	1.54Å	1.55Å
O15	C14	doub	1.21Å	1.21Å
C14	O16	sing	1.34Å	1.32Å
C9	C7	sing	1.55Å	1.55Å
C7	C6	sing	1.53Å	1.56Å
C6	C5	sing	1.53Å	1.54Å
C5	C4	sing	1.53Å	1.54Å
C4	B2	sing	1.57Å	1.57Å
B2	O3	sing	1.42Å	1.40Å
B2	O1	sing	1.42Å	1.41Å
C7	H8	sing	1.09Å	1.10Å
C9	H1	sing	1.09Å	1.10Å
C9	H2	sing	1.09Å	1.10Å
C10	H3	sing	1.09Å	1.10Å
C10	H4	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
O1	H5	sing	0.97Å	0.95Å
O3	H6	sing	0.97Å	0.95Å
C4	H7	sing	1.09Å	1.10Å
C4	H9	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C5	H11	sing	1.09Å	1.10Å
C6	H12	sing	1.09Å	1.10Å
C6	H14	sing	1.09Å	1.10Å
N11	H15	sing	1.01Å	1.00Å
O16	H17	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	N11	C12	105.4°	105.8°
N11	C10	C9	106.2°	103.2°
N11	C10	H3	110.3°	110.7°
N11	C10	H4	110.3°	110.8°
C10	N11	H15	110.5°	111.0°
N11	C12	C14	111.1°	110.0°
N11	C12	C7	105.6°	106.9°
N11	C12	H13	109.1°	110.2°
C12	N11	H15	110.5°	111.0°
C10	C9	C7	105.5°	102.9°
C10	C9	H1	110.5°	110.7°
C10	C9	H2	110.4°	110.9°
C9	C10	H3	110.3°	110.7°
C9	C10	H4	110.3°	110.6°
C14	C12	C7	114.0°	109.9°
C12	C14	O15	122.1°	119.9°
C12	C14	O16	117.8°	120.0°
C14	C12	H13	108.7°	109.9°
C12	C7	C9	98.7°	105.2°
C12	C7	C6	113.5°	110.3°
C12	C7	H8	110.4°	110.3°
C7	C12	H13	108.2°	109.9°
O15	C14	O16	120.1°	120.0°
C14	O16	H17	109.5°	117.0°
C9	C7	C6	113.0°	110.4°
C9	C7	H8	110.4°	110.3°
C7	C9	H1	110.4°	110.7°
C7	C9	H2	110.5°	110.7°
C7	C6	C5	114.8°	109.4°
C6	C7	H8	110.3°	110.3°
C7	C6	H12	108.1°	109.5°
C7	C6	H14	108.1°	109.5°
C6	C5	C4	112.2°	109.5°
C6	C5	H10	108.8°	109.5°
C6	C5	H11	108.8°	109.5°
C5	C6	H12	108.2°	109.4°
C5	C6	H14	108.1°	109.5°
C5	C4	B2	106.3°	109.5°
C5	C4	H7	110.2°	109.5°
C5	C4	H9	110.3°	109.5°
C4	C5	H10	108.8°	109.4°
C4	C5	H11	108.8°	109.4°
C4	B2	O3	119.9°	120.0°
C4	B2	O1	122.2°	120.0°
B2	C4	H7	110.3°	109.5°
B2	C4	H9	110.3°	109.5°
O3	B2	O1	117.4°	120.0°
B2	O3	H6	109.5°	114.0°
B2	O1	H5	109.5°	114.0°
H1	C9	H2	109.5°	110.6°
H3	C10	H4	109.4°	110.6°
H7	C4	H9	109.5°	109.5°
H10	C5	H11	109.5°	109.5°
H12	C6	H14	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	N11	C12	H15	119.4°	120.5°
N11	C10	C9	H3	119.5°	118.5°
N11	C10	C9	H4	119.5°	118.6°
C10	N11	C12	C14	159.4°	144.7°
C10	N11	C12	C7	35.3°	25.4°
N11	C10	C9	C7	15.3°	37.4°
N11	C10	C9	H1	104.0°	81.0°
N11	C10	C9	H2	134.7°	155.8°
N11	C10	H3	H4	121.5°	123.1°
C10	N11	C12	H13	80.8°	94.0°
C12	N11	C10	C9	12.0°	39.2°
N11	C12	C14	C7	119.2°	117.5°
N11	C12	C14	H13	120.0°	121.5°
N11	C12	C7	H13	116.7°	119.6°
N11	C12	C14	O15	5.3°	17.5°
N11	C12	C14	O16	175.0°	162.5°
N11	C12	C7	C9	43.3°	1.3°
N11	C12	C7	C6	76.6°	117.7°
N11	C12	C7	H8	158.9°	120.3°
C12	N11	C10	H3	107.5°	157.8°
C12	N11	C10	H4	131.5°	79.2°
C10	C9	C7	C12	34.7°	21.9°
C10	C9	C7	H1	119.4°	118.3°
C10	C9	C7	H2	119.4°	118.6°
C10	C9	C7	C6	85.5°	140.8°
C10	C9	C7	H8	150.4°	97.1°
C10	C9	H1	H2	121.8°	123.4°
C9	C10	H3	H4	121.5°	123.0°
C9	C10	N11	H15	107.4°	81.3°
C14	C12	C7	H13	121.0°	121.1°
C12	C14	O15	O16	179.7°	180.0°
C14	C12	C7	C9	165.5°	120.7°
C14	C12	C7	C6	45.6°	1.6°
C14	C12	C7	H8	78.8°	120.4°
C14	C12	N11	H15	40.0°	24.2°
C12	C14	O16	H17	179.8°	180.0°
C7	C12	C14	O15	124.5°	100.0°
C7	C12	C14	O16	55.8°	80.0°
C12	C7	C9	C6	120.3°	119.0°
C12	C7	C9	H8	115.7°	118.9°
C12	C7	C6	H8	124.5°	122.0°
C12	C7	C6	C5	171.1°	176.4°
C12	C7	C9	H1	84.6°	96.5°
C12	C7	C9	H2	154.1°	140.4°
C12	C7	C6	H12	50.3°	63.7°
C12	C7	C6	H14	68.2°	56.4°
C7	C12	N11	H15	84.1°	95.1°
O15	C14	C12	H13	114.8°	138.9°
O15	C14	O16	H17	0.0°	0.0°
O16	C14	C12	H13	65.0°	41.1°
C9	C7	C6	H8	124.1°	122.1°
C9	C7	C6	C5	59.7°	67.7°
C7	C9	H1	H2	121.9°	123.1°
C7	C9	C10	H3	134.9°	155.8°
C7	C9	C10	H4	104.1°	81.2°
C9	C7	C12	H13	73.4°	118.3°
C9	C7	C6	H12	61.1°	52.2°
C9	C7	C6	H14	179.5°	172.2°
C7	C6	C5	H12	120.8°	119.9°
C7	C6	C5	H14	120.8°	120.1°
C7	C6	C5	C4	174.4°	180.0°
C6	C7	C9	H1	155.1°	22.5°
C6	C7	C9	H2	33.9°	100.6°
C6	C7	C12	H13	166.7°	122.7°
C7	C6	C5	H10	54.0°	60.0°
C7	C6	C5	H11	65.2°	60.1°
C7	C6	H12	H14	117.6°	120.1°
C6	C5	C4	H10	120.4°	120.0°
C6	C5	C4	H11	120.4°	120.0°
C6	C5	C4	B2	155.4°	180.0°
C5	C6	C7	H8	64.4°	54.4°
C6	C5	C4	H7	35.9°	60.0°
C6	C5	C4	H9	85.0°	60.1°
C6	C5	H10	H11	118.7°	120.1°
C5	C6	H12	H14	117.6°	120.0°
C5	C4	B2	H7	119.5°	120.0°
C5	C4	B2	H9	119.5°	120.0°
C5	C4	B2	O3	97.5°	0.0°
C5	C4	B2	O1	74.5°	180.0°
C5	C4	H7	H9	121.5°	120.0°
C4	C5	H10	H11	118.8°	119.9°
C4	C5	C6	H12	64.8°	60.0°
C4	C5	C6	H14	53.7°	60.0°
C4	B2	O3	O1	172.4°	180.0°
C4	B2	O1	H5	180.0°	180.0°
C4	B2	O3	H6	180.0°	0.1°
B2	C4	H7	H9	121.4°	120.0°
B2	C4	C5	H10	84.2°	60.0°
B2	C4	C5	H11	35.0°	60.0°
O3	B2	O1	H5	7.8°	0.0°
O3	B2	C4	H7	22.0°	120.0°
O3	B2	C4	H9	143.0°	120.0°
O1	B2	O3	H6	7.6°	180.0°
O1	B2	C4	H7	166.0°	60.0°
O1	B2	C4	H9	45.0°	60.0°
H8	C7	C9	H1	31.0°	144.6°
H8	C7	C9	H2	90.2°	21.5°
H8	C7	C12	H13	42.2°	0.7°
H8	C7	C6	H12	174.8°	174.3°
H8	C7	C6	H14	56.4°	65.7°
H1	C9	C10	H3	15.5°	37.5°
H1	C9	C10	H4	136.5°	160.5°
H2	C9	C10	H3	105.7°	85.7°
H2	C9	C10	H4	15.3°	37.2°
H3	C10	N11	H15	133.1°	37.2°
H4	C10	N11	H15	12.1°	160.2°
H13	C12	N11	H15	159.8°	145.5°
H7	C4	C5	H10	156.3°	180.0°
H7	C4	C5	H11	84.5°	60.0°
H9	C4	C5	H10	35.4°	60.0°
H9	C4	C5	H11	154.6°	180.0°
H10	C5	C6	H12	174.8°	59.9°
H10	C5	C6	H14	66.7°	179.9°
H11	C5	C6	H12	55.6°	180.0°
H11	C5	C6	H14	174.1°	60.0°

Release date:	2024-12-04
Definition date:	2023-12-14
Last modified:	2024-11-29
Release status:	REL
Processing site:	PDBE
Derived from:	8RG6