VIE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C7	C6	doub	1.38Å	1.35Å	Aromatic
C7	C8	sing	1.38Å	1.36Å	Aromatic
C6	C5	sing	1.38Å	1.39Å	Aromatic
C8	C9	doub	1.38Å	1.35Å	Aromatic
C5	C4	doub	1.38Å	1.34Å	Aromatic
C9	C4	sing	1.38Å	1.35Å	Aromatic
C9	C10	sing	1.51Å	1.47Å
C4	C3	sing	1.51Å	1.47Å
C10	C2	sing	1.54Å	1.51Å
C3	C2	sing	1.54Å	1.53Å
C2	C11	sing	1.53Å	1.58Å
C2	N	sing	1.47Å	1.50Å
C11	N1	sing	1.47Å	1.45Å
N	C	sing	1.47Å	1.52Å
N	C1	sing	1.47Å	1.49Å
N1	H1	sing	1.01Å	1.00Å
N1	H2	sing	1.01Å	1.00Å
C7	H4	sing	1.08Å	1.08Å
C8	H5	sing	1.08Å	1.08Å
C1	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C5	H9	sing	1.08Å	1.08Å
C6	H10	sing	1.08Å	1.08Å
C3	H11	sing	1.09Å	1.10Å
C3	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C11	H14	sing	1.09Å	1.10Å
C	H16	sing	1.09Å	1.10Å
C	H17	sing	1.09Å	1.10Å
C	H18	sing	1.09Å	1.10Å
C10	H19	sing	1.09Å	1.10Å
C10	H20	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	C7	C8	118.5°	119.9°
C7	C6	C5	122.2°	120.0°
C6	C7	H4	120.8°	120.0°
C7	C6	H10	118.9°	120.0°
C7	C8	C9	119.3°	120.2°
C8	C7	H4	120.8°	120.1°
C7	C8	H5	120.4°	119.9°
C6	C5	C4	117.8°	120.2°
C6	C5	H9	121.1°	119.9°
C5	C6	H10	118.9°	120.0°
C8	C9	C4	122.4°	119.8°
C8	C9	C10	128.7°	130.4°
C9	C8	H5	120.3°	119.9°
C5	C4	C9	119.9°	119.9°
C5	C4	C3	131.0°	130.4°
C4	C5	H9	121.1°	119.9°
C4	C9	C10	108.9°	109.7°
C9	C4	C3	109.1°	109.7°
C9	C10	C2	97.6°	105.2°
C9	C10	H19	112.4°	110.3°
C9	C10	H20	112.4°	110.3°
C4	C3	C2	96.6°	105.2°
C4	C3	H11	112.6°	110.3°
C4	C3	H12	112.6°	110.3°
C10	C2	C3	99.2°	102.4°
C10	C2	C11	111.7°	110.8°
C10	C2	N	109.6°	111.0°
C2	C10	H19	112.3°	110.3°
C2	C10	H20	112.3°	110.3°
C3	C2	C11	112.3°	110.8°
C3	C2	N	114.0°	110.8°
C2	C3	H11	112.6°	110.3°
C2	C3	H12	112.6°	110.3°
C11	C2	N	109.6°	110.8°
C2	C11	N1	113.1°	109.5°
C2	C11	H13	108.6°	109.5°
C2	C11	H14	108.5°	109.4°
C2	N	C	106.4°	111.0°
C2	N	C1	107.0°	111.0°
C11	N1	H1	109.5°	111.0°
C11	N1	H2	109.5°	111.0°
N1	C11	H13	108.5°	109.5°
N1	C11	H14	108.6°	109.5°
C	N	C1	108.8°	111.1°
N	C	H16	109.5°	109.4°
N	C	H17	109.5°	109.5°
N	C	H18	109.5°	109.5°
N	C1	H6	109.5°	109.5°
N	C1	H7	109.5°	109.5°
N	C1	H8	109.5°	109.5°
H1	N1	H2	109.5°	110.9°
H6	C1	H7	109.5°	109.5°
H6	C1	H8	109.4°	109.5°
H7	C1	H8	109.5°	109.4°
H11	C3	H12	109.5°	110.3°
H13	C11	H14	109.5°	109.5°
H16	C	H17	109.5°	109.5°
H16	C	H18	109.4°	109.4°
H17	C	H18	109.5°	109.5°
H19	C10	H20	109.4°	110.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	C7	C8	H4	180.0°	179.8°
C7	C6	C5	H10	180.0°	179.9°
C6	C7	C8	C9	1.2°	0.0°
C7	C6	C5	C4	0.1°	0.1°
C6	C7	C8	H5	178.8°	180.0°
C7	C6	C5	H9	179.9°	179.9°
C8	C7	C6	C5	0.8°	0.1°
C7	C8	C9	H5	180.0°	180.0°
C7	C8	C9	C4	0.9°	0.0°
C7	C8	C9	C10	176.3°	180.0°
C8	C7	C6	H10	179.2°	179.9°
C6	C5	C4	H9	180.0°	180.0°
C6	C5	C4	C9	0.2°	0.1°
C6	C5	C4	C3	178.6°	179.9°
C5	C6	C7	H4	179.2°	179.7°
C8	C9	C4	C5	0.2°	0.0°
C8	C9	C4	C10	177.7°	180.0°
C8	C9	C4	C3	179.2°	180.0°
C8	C9	C10	C2	147.1°	162.8°
C9	C8	C7	H4	178.8°	179.7°
C8	C9	C10	H19	29.1°	78.3°
C8	C9	C10	H20	94.8°	43.8°
C5	C4	C9	C3	179.0°	180.0°
C5	C4	C9	C10	177.5°	180.0°
C5	C4	C3	C2	146.7°	162.8°
C4	C5	C6	H10	179.9°	179.9°
C5	C4	C3	H11	95.5°	43.8°
C5	C4	C3	H12	28.9°	78.2°
C4	C9	C10	C2	30.4°	17.2°
C9	C4	C3	C2	32.2°	17.2°
C4	C9	C8	H5	179.1°	180.0°
C9	C4	C5	H9	179.8°	180.0°
C9	C4	C3	H11	85.7°	136.1°
C9	C4	C3	H12	150.0°	101.8°
C4	C9	C10	H19	148.4°	101.7°
C4	C9	C10	H20	87.6°	136.2°
C10	C9	C4	C3	1.5°	0.0°
C9	C10	C2	H19	118.0°	118.9°
C9	C10	C2	H20	118.0°	119.0°
C9	C10	C2	C3	49.0°	26.3°
C9	C10	C2	C11	69.6°	144.6°
C9	C10	C2	N	168.7°	91.9°
C10	C9	C8	H5	3.7°	0.0°
C9	C10	H19	H20	125.5°	122.1°
C4	C3	C2	C10	49.5°	26.3°
C4	C3	C2	H11	117.8°	119.0°
C4	C3	C2	H12	117.9°	119.0°
C4	C3	C2	C11	68.6°	144.6°
C4	C3	C2	N	165.9°	92.1°
C3	C4	C5	H9	1.5°	0.0°
C4	C3	H11	H12	126.1°	122.1°
C10	C2	C3	C11	118.1°	118.2°
C10	C2	C3	N	116.4°	118.4°
C10	C2	C11	N	121.7°	123.7°
C10	C2	C11	N1	161.9°	72.3°
C10	C2	N	C	84.9°	57.1°
C10	C2	N	C1	158.9°	178.8°
C10	C2	C3	H11	68.3°	145.3°
C10	C2	C3	H12	167.4°	92.6°
C10	C2	C11	H13	77.6°	47.8°
C10	C2	C11	H14	41.4°	167.7°
C2	C10	H19	H20	125.5°	122.1°
C3	C2	C11	N	127.9°	123.4°
C3	C2	C11	N1	87.7°	174.8°
C3	C2	N	C	164.9°	55.9°
C3	C2	N	C1	48.7°	68.2°
C2	C3	H11	H12	126.0°	122.1°
C3	C2	C11	H13	32.9°	65.1°
C3	C2	C11	H14	151.8°	54.8°
C3	C2	C10	H19	167.0°	92.6°
C3	C2	C10	H20	69.1°	145.3°
C2	C11	N1	H13	120.5°	120.0°
C2	C11	N1	H14	120.5°	119.9°
C11	C2	N	C	38.0°	179.3°
C11	C2	N	C1	78.2°	55.3°
C2	C11	N1	H1	180.0°	180.0°
C2	C11	N1	H2	60.0°	56.1°
C11	C2	C3	H11	173.6°	96.5°
C11	C2	C3	H12	49.3°	25.6°
C2	C11	H13	H14	118.3°	119.9°
C11	C2	C10	H19	48.4°	25.6°
C11	C2	C10	H20	172.3°	96.5°
N	C2	C11	N1	40.2°	51.4°
C2	N	C	C1	115.0°	124.0°
C2	N	C1	H6	180.0°	60.0°
C2	N	C1	H7	60.0°	180.0°
C2	N	C1	H8	60.0°	60.1°
N	C2	C3	H11	48.1°	26.9°
N	C2	C3	H12	76.2°	149.0°
N	C2	C11	H13	160.8°	171.4°
N	C2	C11	H14	80.3°	68.6°
C2	N	C	H16	180.0°	60.9°
C2	N	C	H17	60.0°	179.2°
C2	N	C	H18	60.0°	59.1°
N	C2	C10	H19	73.3°	149.2°
N	C2	C10	H20	50.6°	27.1°
C11	N1	H1	H2	120.0°	123.9°
N1	C11	H13	H14	118.3°	120.0°
C	N	C1	H6	65.4°	176.0°
C	N	C1	H7	174.5°	56.0°
C	N	C1	H8	54.5°	64.0°
N	C	H16	H17	120.0°	119.9°
N	C	H16	H18	120.0°	120.0°
N	C	H17	H18	120.0°	120.1°
N	C1	H6	H7	120.1°	120.0°
N	C1	H6	H8	120.0°	120.0°
N	C1	H7	H8	120.0°	120.0°
C1	N	C	H16	65.0°	63.1°
C1	N	C	H17	55.0°	56.8°
C1	N	C	H18	175.0°	176.9°
H1	N1	C11	H13	59.4°	60.0°
H1	N1	C11	H14	59.5°	60.1°
H2	N1	C11	H13	179.5°	63.9°
H2	N1	C11	H14	60.5°	176.1°
H4	C7	C8	H5	1.1°	0.3°
H4	C7	C6	H10	0.8°	0.1°
H6	C1	H7	H8	119.9°	120.0°
H9	C5	C6	H10	0.1°	0.1°
H16	C	H17	H18	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:	7FLR