V9I

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	O3	sing	1.43Å	1.43Å
O3	N1	sing	1.42Å	1.40Å
N1	C8	sing	1.35Å	1.33Å
C5	C6	sing	1.53Å	1.53Å
C5	C4	sing	1.53Å	1.52Å
C8	C6	sing	1.51Å	1.52Å
C8	O2	doub	1.21Å	1.23Å
C6	C7	sing	1.53Å	1.53Å
C4	C3	sing	1.53Å	1.52Å
C7	N	sing	1.47Å	1.46Å
C3	N	sing	1.47Å	1.47Å
N	C2	sing	1.35Å	1.35Å
C2	O1	doub	1.21Å	1.19Å
C2	O	sing	1.35Å	1.33Å
O	C1	sing	1.45Å	1.45Å
C1	C	sing	1.53Å	1.40Å
N1	H14	sing	0.97Å	1.00Å
C7	H13	sing	1.09Å	1.10Å
C7	H12	sing	1.09Å	1.10Å
C9	H17	sing	1.09Å	1.10Å
C9	H16	sing	1.09Å	1.10Å
C9	H15	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C1	H5	sing	1.09Å	1.10Å
C5	H11	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C6	H	sing	1.09Å	1.10Å
C4	H9	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C	H2	sing	1.09Å	1.10Å
C	H3	sing	1.09Å	1.10Å
C	H1	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	O3	N1	114.6°	114.0°
O3	C9	H17	109.5°	109.5°
O3	C9	H16	109.5°	109.5°
O3	C9	H15	109.5°	109.5°
O3	N1	C8	122.5°	120.0°
O3	N1	H14	118.7°	120.0°
N1	C8	C6	115.2°	120.0°
N1	C8	O2	123.1°	120.0°
C8	N1	H14	118.7°	120.0°
C6	C5	C4	111.9°	109.5°
C5	C6	C8	110.8°	109.5°
C5	C6	C7	110.9°	109.3°
C6	C5	H11	108.8°	109.5°
C6	C5	H10	108.8°	109.5°
C5	C6	H	108.7°	109.6°
C5	C4	C3	111.4°	109.3°
C4	C5	H11	108.8°	109.5°
C4	C5	H10	108.9°	109.5°
C5	C4	H9	109.0°	109.5°
C5	C4	H8	109.0°	109.4°
C6	C8	O2	121.6°	120.0°
C8	C6	C7	108.6°	109.5°
C8	C6	H	108.9°	109.5°
C6	C7	N	109.9°	108.7°
C6	C7	H13	109.4°	109.6°
C6	C7	H12	109.3°	109.8°
C7	C6	H	108.8°	109.5°
C4	C3	N	110.9°	108.8°
C3	C4	H9	109.0°	109.5°
C3	C4	H8	109.0°	109.5°
C4	C3	H6	109.1°	109.5°
C4	C3	H7	109.1°	109.6°
C7	N	C3	111.9°	118.7°
C7	N	C2	121.6°	120.6°
N	C7	H13	109.3°	109.6°
N	C7	H12	109.4°	109.6°
C3	N	C2	124.5°	120.6°
N	C3	H6	109.1°	109.6°
N	C3	H7	109.1°	109.6°
N	C2	O1	124.0°	120.0°
N	C2	O	111.7°	120.0°
O1	C2	O	124.2°	120.0°
C2	O	C1	115.8°	117.0°
O	C1	C	108.6°	109.5°
O	C1	H4	109.7°	109.4°
O	C1	H5	109.7°	109.5°
C	C1	H4	109.7°	109.5°
C	C1	H5	109.6°	109.4°
C1	C	H2	109.5°	109.4°
C1	C	H3	109.5°	109.4°
C1	C	H1	109.5°	109.5°
H13	C7	H12	109.5°	109.5°
H17	C9	H16	109.5°	109.4°
H17	C9	H15	109.5°	109.4°
H16	C9	H15	109.4°	109.5°
H4	C1	H5	109.5°	109.5°
H11	C5	H10	109.5°	109.4°
H9	C4	H8	109.5°	109.6°
H6	C3	H7	109.4°	109.7°
H2	C	H3	109.5°	109.5°
H2	C	H1	109.5°	109.5°
H3	C	H1	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	O3	N1	C8	46.8°	180.0°
C9	O3	N1	H14	133.2°	0.4°
O3	C9	H17	H16	120.0°	120.0°
O3	C9	H17	H15	120.0°	120.0°
O3	C9	H16	H15	120.0°	120.1°
O3	N1	C8	H14	180.0°	179.6°
O3	N1	C8	C6	161.0°	179.7°
O3	N1	C8	O2	20.2°	0.4°
N1	O3	C9	H17	180.0°	60.1°
N1	O3	C9	H16	60.0°	59.9°
N1	O3	C9	H15	60.0°	180.0°
N1	C8	C6	C5	109.0°	179.9°
N1	C8	C6	O2	178.8°	179.9°
N1	C8	C6	C7	128.9°	60.1°
N1	C8	C6	H	10.6°	59.9°
C6	C5	C4	H11	120.3°	120.0°
C6	C5	C4	H10	120.4°	120.0°
C5	C6	C8	C7	122.1°	119.8°
C5	C6	C8	H	119.5°	120.1°
C5	C6	C8	O2	69.9°	0.0°
C5	C6	C7	H	119.5°	120.0°
C6	C5	C4	C3	49.6°	61.4°
C5	C6	C7	N	55.7°	54.7°
C5	C6	C7	H13	64.4°	65.1°
C5	C6	C7	H12	175.8°	174.5°
C6	C5	H11	H10	118.9°	119.9°
C6	C5	C4	H9	70.7°	58.6°
C6	C5	C4	H8	169.9°	178.7°
C4	C5	C6	C8	171.2°	178.7°
C4	C5	C6	C7	50.5°	61.4°
C5	C4	C3	H9	120.3°	120.0°
C5	C4	C3	H8	120.3°	119.9°
C5	C4	C3	N	54.0°	54.7°
C4	C5	H11	H10	118.9°	120.0°
C4	C5	C6	H	69.1°	58.6°
C5	C4	H9	H8	119.1°	120.1°
C5	C4	C3	H6	174.2°	174.5°
C5	C4	C3	H7	66.3°	65.2°
C8	C6	C7	H	118.5°	120.0°
C8	C6	C7	N	177.7°	174.6°
C6	C8	N1	H14	19.0°	0.1°
C8	C6	C7	H13	57.6°	54.8°
C8	C6	C7	H12	62.2°	65.6°
C8	C6	C5	H11	68.4°	58.6°
C8	C6	C5	H10	50.9°	61.3°
O2	C8	C6	C7	52.2°	119.8°
O2	C8	N1	H14	159.8°	180.0°
O2	C8	C6	H	170.6°	120.1°
C6	C7	N	H13	120.1°	119.8°
C6	C7	N	H12	120.1°	120.0°
C6	C7	N	C3	61.5°	53.6°
C6	C7	N	C2	103.1°	126.5°
C6	C7	H13	H12	119.8°	120.5°
C7	C6	C5	H11	170.8°	178.5°
C7	C6	C5	H10	69.9°	58.7°
C4	C3	N	C7	60.8°	53.7°
C4	C3	N	H6	120.2°	119.7°
C4	C3	N	H7	120.2°	119.8°
C4	C3	N	C2	103.2°	126.4°
C3	C4	C5	H11	169.9°	178.6°
C3	C4	C5	H10	70.8°	58.6°
C3	C4	H9	H8	119.1°	120.1°
C4	C3	H6	H7	119.3°	120.3°
C7	N	C3	C2	164.0°	179.9°
C7	N	C2	O1	163.7°	0.1°
C7	N	C2	O	16.9°	180.0°
N	C7	H13	H12	119.8°	120.2°
N	C7	C6	H	63.8°	65.4°
C7	N	C3	H6	178.9°	173.4°
C7	N	C3	H7	59.4°	66.2°
C3	N	C2	O1	1.1°	180.0°
C3	N	C2	O	179.4°	0.1°
C3	N	C7	H13	58.6°	66.2°
C3	N	C7	H12	178.5°	173.6°
N	C3	C4	H9	66.3°	65.3°
N	C3	C4	H8	174.2°	174.6°
N	C3	H6	H7	119.3°	120.4°
N	C2	O1	O	179.4°	179.9°
N	C2	O	C1	174.3°	179.9°
C2	N	C7	H13	136.8°	113.7°
C2	N	C7	H12	17.0°	6.5°
C2	N	C3	H6	17.1°	6.7°
C2	N	C3	H7	136.6°	113.7°
O1	C2	O	C1	6.2°	0.0°
C2	O	C1	C	102.0°	180.0°
C2	O	C1	H4	138.1°	60.0°
C2	O	C1	H5	17.8°	60.0°
O	C1	C	H4	119.9°	120.0°
O	C1	C	H5	119.9°	120.0°
O	C1	H4	H5	120.4°	120.0°
O	C1	C	H2	180.0°	180.0°
O	C1	C	H3	60.0°	60.0°
O	C1	C	H1	60.0°	60.0°
C	C1	H4	H5	120.4°	120.0°
C1	C	H2	H3	120.0°	120.0°
C1	C	H2	H1	120.0°	120.0°
C1	C	H3	H1	120.0°	120.0°
H13	C7	C6	H	176.1°	174.8°
H12	C7	C6	H	56.2°	54.5°
H17	C9	H16	H15	120.0°	120.0°
H4	C1	C	H2	60.1°	60.0°
H4	C1	C	H3	179.8°	180.0°
H4	C1	C	H1	59.9°	60.0°
H5	C1	C	H2	60.1°	60.0°
H5	C1	C	H3	59.9°	60.0°
H5	C1	C	H1	179.9°	180.0°
H11	C5	C6	H	51.3°	61.4°
H11	C5	C4	H9	49.7°	61.5°
H11	C5	C4	H8	69.7°	58.7°
H10	C5	C6	H	170.5°	178.7°
H10	C5	C4	H9	168.9°	178.6°
H10	C5	C4	H8	49.5°	61.3°
H9	C4	C3	H6	53.9°	54.5°
H9	C4	C3	H7	173.4°	174.9°
H8	C4	C3	H6	65.5°	65.7°
H8	C4	C3	H7	54.0°	54.7°
H2	C	H3	H1	120.0°	120.1°

Release date:	2022-11-02
Definition date:	2022-08-29
Last modified:	2022-10-28
Release status:	REL
Processing site:	RCSB
Derived from:	5STY