S7V

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	C7	doub	1.38Å	1.39Å	Aromatic
C8	C9	sing	1.38Å	1.42Å	Aromatic
C7	C6	sing	1.38Å	1.39Å	Aromatic
C9	C4	doub	1.38Å	1.40Å	Aromatic
C6	C5	doub	1.38Å	1.40Å	Aromatic
C11	O1	sing	1.43Å	1.41Å
C11	C10	sing	1.53Å	1.54Å
O1	C1	sing	1.43Å	1.40Å
C4	C5	sing	1.38Å	1.40Å	Aromatic
C4	C3	sing	1.51Å	1.52Å
N	C10	sing	1.47Å	1.50Å
N	C3	sing	1.47Å	1.52Å
N	C2	sing	1.47Å	1.51Å
C2	C1	sing	1.53Å	1.56Å
C1	C	sing	1.53Å	1.56Å
C	O	sing	1.43Å	1.40Å
C5	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.08Å	1.08Å
C10	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.09Å	1.10Å
C	H8	sing	1.09Å	1.10Å
C	H9	sing	1.09Å	1.10Å
O	H10	sing	0.97Å	0.95Å
C1	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C2	H14	sing	1.09Å	1.10Å
C2	H15	sing	1.09Å	1.10Å
C3	H16	sing	1.09Å	1.10Å
C3	H17	sing	1.09Å	1.10Å
C9	H18	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	C8	C9	120.7°	120.0°
C8	C7	C6	118.8°	120.0°
C8	C7	H3	120.6°	120.0°
C7	C8	H4	119.6°	120.1°
C8	C9	C4	120.3°	120.0°
C9	C8	H4	119.7°	119.9°
C8	C9	H18	119.8°	120.0°
C7	C6	C5	120.8°	120.0°
C7	C6	H2	119.6°	120.0°
C6	C7	H3	120.6°	119.9°
C9	C4	C5	118.5°	120.1°
C9	C4	C3	120.5°	120.0°
C4	C9	H18	119.8°	120.0°
C6	C5	C4	120.7°	120.0°
C6	C5	H1	119.6°	120.0°
C5	C6	H2	119.6°	120.0°
O1	C11	C10	111.7°	109.3°
C11	O1	C1	115.1°	113.7°
O1	C11	H12	108.9°	109.5°
O1	C11	H13	108.9°	109.6°
C11	C10	N	108.7°	109.2°
C11	C10	H5	109.7°	109.5°
C11	C10	H6	109.7°	109.5°
C10	C11	H12	108.9°	109.4°
C10	C11	H13	108.9°	109.5°
O1	C1	C2	109.0°	109.2°
O1	C1	C	102.9°	109.5°
O1	C1	H11	112.1°	109.6°
C5	C4	C3	120.9°	120.0°
C4	C5	H1	119.6°	120.1°
C4	C3	N	111.5°	109.5°
C4	C3	H16	109.0°	109.5°
C4	C3	H17	109.0°	109.4°
C10	N	C3	112.9°	111.0°
C10	N	C2	110.8°	110.8°
N	C10	H5	109.6°	109.5°
N	C10	H6	109.7°	109.5°
C3	N	C2	109.9°	111.0°
N	C3	H16	109.0°	109.5°
N	C3	H17	108.9°	109.5°
N	C2	C1	110.5°	109.3°
N	C2	H14	109.2°	109.5°
N	C2	H15	109.2°	109.5°
C2	C1	C	113.3°	109.5°
C2	C1	H11	109.7°	109.6°
C1	C2	H14	109.2°	109.5°
C1	C2	H15	109.2°	109.5°
C1	C	O	115.0°	109.5°
C1	C	H8	108.1°	109.5°
C1	C	H9	108.1°	109.5°
C	C1	H11	109.7°	109.5°
O	C	H8	108.1°	109.5°
O	C	H9	108.1°	109.4°
C	O	H10	109.5°	114.0°
H5	C10	H6	109.5°	109.6°
H8	C	H9	109.5°	109.5°
H12	C11	H13	109.5°	109.5°
H14	C2	H15	109.5°	109.5°
H16	C3	H17	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	C8	C9	H4	180.0°	179.7°
C8	C7	C6	H3	180.0°	180.0°
C7	C8	C9	C4	0.3°	0.5°
C8	C7	C6	C5	0.6°	0.1°
C8	C7	C6	H2	179.4°	180.0°
C7	C8	C9	H18	179.8°	180.0°
C9	C8	C7	C6	0.9°	0.3°
C8	C9	C4	H18	180.0°	179.5°
C8	C9	C4	C5	0.8°	0.5°
C8	C9	C4	C3	177.1°	179.8°
C9	C8	C7	H3	179.1°	179.7°
C7	C6	C5	H2	180.0°	179.9°
C7	C6	C5	C4	0.4°	0.1°
C7	C6	C5	H1	179.6°	180.0°
C6	C7	C8	H4	179.1°	180.0°
C9	C4	C5	C6	1.1°	0.3°
C9	C4	C5	C3	177.9°	179.7°
C9	C4	C3	N	90.9°	89.7°
C9	C4	C5	H1	178.9°	179.7°
C4	C9	C8	H4	179.7°	179.8°
C9	C4	C3	H16	29.4°	30.3°
C9	C4	C3	H17	148.8°	150.2°
C6	C5	C4	H1	180.0°	180.0°
C6	C5	C4	C3	176.8°	180.0°
C5	C6	C7	H3	179.4°	179.9°
O1	C11	C10	H12	120.4°	119.9°
O1	C11	C10	H13	120.3°	120.0°
O1	C11	C10	N	40.6°	56.9°
C11	O1	C1	C2	66.1°	58.6°
C11	O1	C1	C	173.4°	61.3°
O1	C11	C10	H5	160.4°	63.0°
O1	C11	C10	H6	79.3°	176.8°
C11	O1	C1	H11	55.5°	178.6°
O1	C11	H12	H13	119.0°	120.1°
C10	C11	O1	C1	23.5°	58.7°
C11	C10	N	H5	119.9°	119.9°
C11	C10	N	H6	119.9°	119.9°
C11	C10	N	C3	174.2°	177.6°
C11	C10	N	C2	62.0°	58.7°
C11	C10	H5	H6	120.4°	120.1°
C10	C11	H12	H13	118.9°	120.1°
O1	C1	C2	N	40.4°	56.8°
O1	C1	C2	C	113.9°	119.9°
O1	C1	C2	H11	123.1°	120.0°
O1	C1	C	H11	119.5°	120.1°
O1	C1	C	O	128.7°	65.1°
O1	C1	C	H8	110.5°	174.9°
O1	C1	C	H9	7.9°	54.8°
C1	O1	C11	H12	143.8°	178.5°
C1	O1	C11	H13	96.9°	61.3°
O1	C1	C2	H14	79.8°	176.7°
O1	C1	C2	H15	160.5°	63.2°
C5	C4	C3	N	91.3°	90.0°
C4	C5	C6	H2	179.6°	180.0°
C5	C4	C3	H16	148.4°	150.0°
C5	C4	C3	H17	29.0°	30.0°
C5	C4	C9	H18	179.2°	180.0°
C4	C3	N	C10	69.1°	66.0°
C4	C3	N	H16	120.3°	120.0°
C4	C3	N	H17	120.3°	120.0°
C4	C3	N	C2	166.7°	170.3°
C3	C4	C5	H1	3.2°	0.0°
C4	C3	H16	H17	119.1°	119.9°
C3	C4	C9	H18	2.9°	0.3°
C10	N	C3	C2	124.2°	123.6°
C10	N	C2	C1	21.0°	58.7°
N	C10	H5	H6	120.3°	120.2°
N	C10	C11	H12	79.8°	176.8°
N	C10	C11	H13	160.9°	63.1°
C10	N	C2	H14	141.1°	178.6°
C10	N	C2	H15	99.2°	61.3°
C10	N	C3	H16	170.6°	173.9°
C10	N	C3	H17	51.2°	53.9°
C3	N	C2	C1	146.4°	177.6°
C3	N	C10	H5	54.4°	62.5°
C3	N	C10	H6	65.8°	57.7°
C3	N	C2	H14	93.4°	57.7°
C3	N	C2	H15	26.3°	62.5°
N	C3	H16	H17	119.0°	120.0°
N	C2	C1	H14	120.2°	119.9°
N	C2	C1	H15	120.1°	120.0°
N	C2	C1	C	154.3°	63.1°
C2	N	C10	H5	178.1°	61.3°
C2	N	C10	H6	57.9°	178.5°
N	C2	C1	H11	82.7°	176.9°
N	C2	H14	H15	119.5°	120.1°
C2	N	C3	H16	46.3°	50.3°
C2	N	C3	H17	73.0°	69.7°
C2	C1	C	H11	123.0°	120.1°
C2	C1	C	O	11.2°	175.1°
C2	C1	C	H8	132.0°	55.1°
C2	C1	C	H9	109.6°	64.9°
C1	C2	H14	H15	119.5°	120.1°
C1	C	O	H8	120.8°	120.0°
C1	C	O	H9	120.8°	120.0°
C1	C	H8	H9	117.5°	120.0°
C1	C	O	H10	180.0°	180.0°
C	C1	C2	H14	34.1°	56.9°
C	C1	C2	H15	85.6°	176.9°
O	C	H8	H9	117.5°	120.0°
O	C	C1	H11	111.9°	55.0°
H1	C5	C6	H2	0.4°	0.0°
H2	C6	C7	H3	0.6°	0.0°
H3	C7	C8	H4	0.9°	0.0°
H4	C8	C9	H18	0.2°	0.3°
H5	C10	C11	H12	40.0°	56.9°
H5	C10	C11	H13	79.3°	177.0°
H6	C10	C11	H12	160.3°	63.3°
H6	C10	C11	H13	41.0°	56.8°
H8	C	O	H10	59.2°	60.0°
H8	C	C1	H11	9.0°	65.0°
H9	C	O	H10	59.2°	60.0°
H9	C	C1	H11	127.4°	174.9°
H11	C1	C2	H14	157.1°	63.2°
H11	C1	C2	H15	37.4°	56.9°

Release date:	2020-04-15
Definition date:	2020-03-05
Last modified:	2020-10-09
Release status:	REL
Processing site:	RCSB