V8E

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	C9	doub	1.21Å	1.27Å
O1	C9	sing	1.34Å	1.21Å
C9	C8	sing	1.51Å	1.58Å
C6	N1	sing	1.47Å	1.51Å
C6	C7	sing	1.53Å	1.53Å
N1	C8	sing	1.47Å	1.51Å
N1	C5	sing	1.47Å	1.51Å
C4	N	sing	1.47Å	1.45Å
C4	C5	sing	1.53Å	1.53Å
N	C7	sing	1.47Å	1.46Å
N	C3	sing	1.35Å	1.40Å
C	C1	sing	1.53Å	1.51Å
C3	O	doub	1.21Å	1.20Å
C3	C2	sing	1.51Å	1.50Å
C1	C2	sing	1.53Å	1.53Å
C7	H2	sing	1.09Å	1.10Å
C7	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
O1	H6	sing	0.97Å	0.95Å
C1	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
C6	H12	sing	1.09Å	1.10Å
C4	H13	sing	1.09Å	1.10Å
C4	H14	sing	1.09Å	1.10Å
C2	H15	sing	1.09Å	1.10Å
C2	H16	sing	1.09Å	1.10Å
C	H17	sing	1.09Å	1.10Å
C	H18	sing	1.09Å	1.10Å
C	H19	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O2	C9	O1	131.1°	120.0°
O2	C9	C8	112.3°	120.0°
O1	C9	C8	116.6°	120.0°
C9	O1	H6	109.5°	117.0°
C9	C8	N1	104.7°	109.5°
C9	C8	H4	110.7°	109.4°
C9	C8	H5	110.6°	109.4°
N1	C6	C7	112.1°	109.3°
C6	N1	C8	110.6°	111.0°
C6	N1	C5	110.9°	111.3°
N1	C6	H11	108.8°	109.4°
N1	C6	H12	108.8°	109.5°
C6	C7	N	113.8°	108.6°
C6	C7	H2	108.4°	109.6°
C6	C7	H3	108.4°	109.6°
C7	C6	H11	108.8°	109.5°
C7	C6	H12	108.8°	109.5°
C8	N1	C5	110.3°	111.0°
N1	C8	H4	110.7°	109.5°
N1	C8	H5	110.7°	109.5°
N1	C5	C4	109.3°	109.3°
N1	C5	H9	109.5°	109.5°
N1	C5	H10	109.5°	109.5°
N	C4	C5	110.3°	108.5°
C4	N	C7	113.9°	118.2°
C4	N	C3	119.1°	120.9°
N	C4	H13	109.3°	109.6°
N	C4	H14	109.3°	109.6°
C4	C5	H9	109.5°	109.5°
C4	C5	H10	109.5°	109.5°
C5	C4	H13	109.3°	109.6°
C5	C4	H14	109.2°	109.7°
C7	N	C3	116.8°	120.9°
N	C7	H2	108.4°	109.6°
N	C7	H3	108.4°	109.8°
N	C3	O	119.5°	120.0°
N	C3	C2	118.9°	120.0°
C	C1	C2	108.8°	109.5°
C	C1	H7	109.7°	109.5°
C	C1	H8	109.6°	109.4°
C1	C	H17	109.5°	109.5°
C1	C	H18	109.5°	109.5°
C1	C	H19	109.5°	109.4°
O	C3	C2	121.6°	120.0°
C3	C2	C1	108.7°	109.5°
C3	C2	H15	109.6°	109.4°
C3	C2	H16	109.7°	109.5°
C2	C1	H7	109.6°	109.5°
C2	C1	H8	109.6°	109.4°
C1	C2	H15	109.7°	109.4°
C1	C2	H16	109.7°	109.5°
H2	C7	H3	109.5°	109.6°
H4	C8	H5	109.4°	109.5°
H7	C1	H8	109.5°	109.5°
H9	C5	H10	109.5°	109.5°
H11	C6	H12	109.4°	109.6°
H13	C4	H14	109.5°	109.7°
H15	C2	H16	109.5°	109.5°
H17	C	H18	109.5°	109.5°
H17	C	H19	109.5°	109.5°
H18	C	H19	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O2	C9	O1	C8	179.7°	179.9°
O2	C9	C8	N1	46.4°	0.1°
O2	C9	C8	H4	165.7°	120.0°
O2	C9	C8	H5	72.9°	120.0°
O2	C9	O1	H6	0.0°	0.1°
O1	C9	C8	N1	133.9°	180.0°
O1	C9	C8	H4	14.6°	59.9°
O1	C9	C8	H5	106.9°	60.0°
C9	C8	N1	C6	82.2°	65.7°
C9	C8	N1	H4	119.3°	120.0°
C9	C8	N1	H5	119.2°	119.9°
C9	C8	N1	C5	154.7°	170.0°
C9	C8	H4	H5	122.2°	119.9°
C8	C9	O1	H6	179.7°	180.0°
N1	C6	C7	H11	120.4°	119.9°
N1	C6	C7	H12	120.4°	119.9°
C6	N1	C8	C5	123.1°	124.3°
C6	N1	C5	C4	46.6°	63.1°
N1	C6	C7	N	55.2°	53.8°
N1	C6	C7	H2	65.4°	173.6°
N1	C6	C7	H3	175.9°	66.1°
C6	N1	C8	H4	158.5°	54.2°
C6	N1	C8	H5	37.0°	174.3°
C6	N1	C5	H9	166.6°	176.9°
C6	N1	C5	H10	73.3°	56.9°
N1	C6	H11	H12	118.8°	120.0°
C7	C6	N1	C8	112.1°	172.8°
C7	C6	N1	C5	10.6°	63.1°
C6	C7	N	C4	36.3°	51.2°
C6	C7	N	H2	120.6°	119.7°
C6	C7	N	H3	120.7°	119.8°
C6	C7	N	C3	178.7°	128.8°
C6	C7	H2	H3	118.1°	120.3°
C7	C6	H11	H12	118.8°	120.2°
C8	N1	C5	C4	169.5°	172.8°
N1	C8	H4	H5	122.2°	120.1°
C8	N1	C5	H9	70.5°	52.8°
C8	N1	C5	H10	49.6°	67.2°
C8	N1	C6	H11	8.3°	67.3°
C8	N1	C6	H12	127.5°	52.8°
N1	C5	C4	N	66.8°	53.8°
N1	C5	C4	H9	120.0°	120.0°
N1	C5	C4	H10	120.0°	120.0°
C5	N1	C8	H4	35.4°	70.0°
C5	N1	C8	H5	86.1°	50.1°
N1	C5	H9	H10	120.1°	120.1°
C5	N1	C6	H11	131.0°	56.8°
C5	N1	C6	H12	109.8°	176.9°
N1	C5	C4	H13	173.1°	65.9°
N1	C5	C4	H14	53.3°	173.6°
N	C4	C5	H13	120.1°	119.7°
N	C4	C5	H14	120.1°	119.8°
C4	N	C7	C3	145.0°	180.0°
C4	N	C3	O	179.6°	0.0°
C4	N	C3	C2	0.2°	180.0°
C4	N	C7	H2	84.3°	170.9°
C4	N	C7	H3	157.0°	68.6°
N	C4	C5	H9	173.2°	173.8°
N	C4	C5	H10	53.2°	66.2°
N	C4	H13	H14	119.6°	120.5°
C5	C4	N	C7	22.7°	51.2°
C5	C4	N	C3	121.4°	128.8°
C4	C5	H9	H10	120.0°	120.0°
C5	C4	H13	H14	119.6°	120.5°
C7	N	C3	O	37.3°	180.0°
C7	N	C3	C2	142.9°	0.0°
N	C7	H2	H3	118.0°	120.6°
N	C7	C6	H11	175.6°	66.1°
N	C7	C6	H12	65.2°	173.8°
C7	N	C4	H13	142.8°	68.5°
C7	N	C4	H14	97.4°	170.9°
N	C3	O	C2	179.8°	179.9°
N	C3	C2	C1	123.2°	180.0°
C3	N	C7	H2	60.7°	9.1°
C3	N	C7	H3	58.1°	111.4°
C3	N	C4	H13	1.3°	111.5°
C3	N	C4	H14	118.5°	9.1°
N	C3	C2	H15	3.3°	60.1°
N	C3	C2	H16	116.9°	59.9°
C	C1	C2	C3	129.3°	180.0°
C	C1	C2	H7	119.9°	120.0°
C	C1	C2	H8	119.9°	119.9°
C	C1	H7	H8	120.3°	120.0°
C	C1	C2	H15	9.4°	60.1°
C	C1	C2	H16	110.8°	60.0°
C1	C	H17	H18	120.0°	120.0°
C1	C	H17	H19	120.0°	120.0°
C1	C	H18	H19	120.0°	120.0°
O	C3	C2	C1	56.6°	0.1°
O	C3	C2	H15	176.5°	120.0°
O	C3	C2	H16	63.3°	120.0°
C3	C2	C1	H15	119.9°	119.9°
C3	C2	C1	H16	119.9°	120.0°
C3	C2	C1	H7	9.4°	60.0°
C3	C2	C1	H8	110.8°	60.1°
C3	C2	H15	H16	120.3°	120.0°
C2	C1	H7	H8	120.3°	120.0°
C1	C2	H15	H16	120.4°	120.0°
C2	C1	C	H17	180.0°	180.0°
C2	C1	C	H18	60.0°	60.0°
C2	C1	C	H19	60.0°	60.1°
H2	C7	C6	H11	55.0°	53.7°
H2	C7	C6	H12	174.2°	66.5°
H3	C7	C6	H11	63.7°	174.0°
H3	C7	C6	H12	55.4°	53.9°
H7	C1	C2	H15	110.5°	60.0°
H7	C1	C2	H16	129.3°	180.0°
H7	C1	C	H17	60.1°	60.0°
H7	C1	C	H18	59.9°	180.0°
H7	C1	C	H19	179.9°	60.0°
H8	C1	C2	H15	129.3°	180.0°
H8	C1	C2	H16	9.1°	60.0°
H8	C1	C	H17	60.1°	60.0°
H8	C1	C	H18	179.8°	60.0°
H8	C1	C	H19	59.9°	180.0°
H9	C5	C4	H13	53.1°	54.1°
H9	C5	C4	H14	66.7°	66.4°
H10	C5	C4	H13	67.0°	174.1°
H10	C5	C4	H14	173.3°	53.6°
H17	C	H18	H19	120.0°	120.0°

Release date:	2022-11-02
Definition date:	2022-08-29
Last modified:	2022-10-28
Release status:	REL
Processing site:	RCSB
Derived from:	5ST9