D74

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C3	C4	doub	1.38Å	1.38Å	Aromatic
C3	C2	sing	1.38Å	1.39Å	Aromatic
C4	C5	sing	1.38Å	1.39Å	Aromatic
C2	C1	doub	1.38Å	1.39Å	Aromatic
C5	C7	sing	1.51Å	1.51Å
C5	C6	doub	1.38Å	1.39Å	Aromatic
C1	C6	sing	1.38Å	1.39Å	Aromatic
C1	C	sing	1.51Å	1.51Å
C8	C7	sing	1.55Å	1.55Å
C8	C9	sing	1.55Å	1.52Å
C7	C11	sing	1.54Å	1.52Å
C9	C10	sing	1.54Å	1.53Å
C9	O1	sing	1.43Å	1.43Å
C11	C10	sing	1.54Å	1.50Å
C11	N	sing	1.47Å	1.50Å
C10	O	sing	1.43Å	1.42Å
C4	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C9	H6	sing	1.09Å	1.10Å
C10	H7	sing	1.09Å	1.10Å
C11	H8	sing	1.09Å	1.10Å
O1	H9	sing	0.97Å	0.95Å
O	H10	sing	0.97Å	0.95Å
N	H11	sing	1.01Å	1.00Å
N	H12	sing	1.01Å	1.00Å
C3	H14	sing	1.08Å	1.08Å
C2	H15	sing	1.08Å	1.08Å
C	H16	sing	1.09Å	1.10Å
C	H17	sing	1.09Å	1.10Å
C	H18	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	C3	C2	120.0°	120.0°
C3	C4	C5	120.4°	120.0°
C3	C4	H1	119.8°	119.9°
C4	C3	H14	120.0°	120.0°
C3	C2	C1	120.9°	120.0°
C2	C3	H14	120.0°	120.0°
C3	C2	H15	119.6°	120.0°
C4	C5	C7	121.6°	120.0°
C4	C5	C6	118.7°	120.0°
C5	C4	H1	119.8°	120.1°
C2	C1	C6	118.2°	120.0°
C2	C1	C	120.9°	120.0°
C1	C2	H15	119.6°	120.0°
C7	C5	C6	119.7°	120.0°
C5	C7	C8	113.7°	110.5°
C5	C7	C11	112.0°	110.5°
C5	C7	H3	109.8°	110.4°
C5	C6	C1	121.8°	120.0°
C5	C6	H2	119.1°	120.0°
C6	C1	C	120.8°	120.0°
C1	C6	H2	119.1°	120.0°
C1	C	H16	109.5°	109.4°
C1	C	H17	109.5°	109.4°
C1	C	H18	109.4°	109.5°
C7	C8	C9	107.3°	102.7°
C8	C7	C11	102.2°	104.2°
C8	C7	H3	109.3°	110.6°
C7	C8	H4	110.0°	110.7°
C7	C8	H5	110.0°	110.7°
C8	C9	C10	104.2°	104.2°
C8	C9	O1	110.2°	110.5°
C9	C8	H4	110.1°	110.7°
C9	C8	H5	110.0°	110.8°
C8	C9	H6	109.9°	110.5°
C7	C11	C10	102.8°	106.6°
C7	C11	N	110.8°	110.0°
C11	C7	H3	109.6°	110.5°
C7	C11	H8	110.2°	110.1°
C10	C9	O1	110.9°	110.4°
C9	C10	C11	103.5°	106.6°
C9	C10	O	112.2°	110.0°
C10	C9	H6	109.9°	110.5°
C9	C10	H7	109.9°	110.0°
O1	C9	H6	111.4°	110.6°
C9	O1	H9	109.5°	114.0°
C10	C11	N	111.8°	110.0°
C11	C10	O	109.3°	110.0°
C11	C10	H7	110.2°	110.1°
C10	C11	H8	110.5°	110.1°
N	C11	H8	110.6°	110.0°
C11	N	H11	109.5°	110.9°
C11	N	H12	109.4°	110.9°
O	C10	H7	111.4°	110.0°
C10	O	H10	109.5°	114.0°
H4	C8	H5	109.5°	110.8°
H11	N	H12	109.4°	111.0°
H16	C	H17	109.4°	109.5°
H16	C	H18	109.5°	109.4°
H17	C	H18	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	C3	C2	H14	180.0°	179.9°
C3	C4	C5	H1	180.0°	179.7°
C4	C3	C2	C1	0.1°	0.6°
C3	C4	C5	C7	179.7°	179.7°
C3	C4	C5	C6	0.3°	0.3°
C4	C3	C2	H15	179.9°	180.0°
C2	C3	C4	C5	0.2°	NaN°
C3	C2	C1	H15	180.0°	179.4°
C3	C2	C1	C6	0.5°	0.9°
C3	C2	C1	C	178.7°	180.0°
C2	C3	C4	H1	179.8°	179.7°
C4	C5	C7	C6	180.0°	180.0°
C4	C5	C6	C1	0.1°	0.0°
C4	C5	C7	C8	126.3°	54.8°
C4	C5	C7	C11	118.4°	60.0°
C4	C5	C6	H2	179.9°	179.9°
C4	C5	C7	H3	3.5°	177.4°
C5	C4	C3	H14	179.8°	179.9°
C2	C1	C6	C5	0.4°	0.6°
C2	C1	C6	C	179.2°	179.1°
C2	C1	C6	H2	179.6°	179.5°
C1	C2	C3	H14	179.9°	179.5°
C2	C1	C	H16	90.5°	90.0°
C2	C1	C	H17	149.6°	150.0°
C2	C1	C	H18	29.6°	30.0°
C7	C5	C6	C1	179.9°	180.0°
C5	C7	C8	C11	120.9°	118.7°
C5	C7	C8	H3	123.0°	122.6°
C5	C7	C8	C9	140.9°	156.7°
C5	C7	C11	H3	122.1°	122.5°
C5	C7	C11	C10	161.8°	142.3°
C5	C7	C11	N	78.6°	98.5°
C7	C5	C4	H1	0.3°	0.0°
C7	C5	C6	H2	0.1°	0.0°
C5	C7	C8	H4	99.4°	85.1°
C5	C7	C8	H5	21.3°	38.3°
C5	C7	C11	H8	44.0°	23.0°
C5	C6	C1	H2	180.0°	179.9°
C5	C6	C1	C	178.7°	179.7°
C6	C5	C7	C8	53.7°	125.2°
C6	C5	C7	C11	61.6°	120.0°
C6	C5	C4	H1	179.7°	180.0°
C6	C5	C7	H3	176.5°	2.5°
C6	C1	C2	H15	179.6°	179.7°
C6	C1	C	H16	90.4°	90.9°
C6	C1	C	H17	29.6°	29.1°
C6	C1	C	H18	149.6°	149.1°
C	C1	C6	H2	1.3°	0.4°
C	C1	C2	H15	1.3°	0.6°
C1	C	H16	H17	120.0°	120.0°
C1	C	H16	H18	120.0°	120.0°
C1	C	H17	H18	120.0°	120.0°
C7	C8	C9	H4	119.7°	118.3°
C7	C8	C9	H5	119.7°	118.3°
C8	C7	C11	H3	115.9°	118.8°
C7	C8	C9	C10	6.9°	38.0°
C7	C8	C9	O1	112.2°	156.6°
C8	C7	C11	C10	39.7°	23.6°
C8	C7	C11	N	159.3°	142.9°
C7	C8	H4	H5	121.0°	123.3°
C7	C8	C9	H6	124.6°	80.7°
C8	C7	C11	H8	78.0°	95.7°
C9	C8	C7	C11	20.0°	38.0°
C8	C9	C10	O1	118.6°	118.6°
C8	C9	C10	H6	117.8°	118.7°
C8	C9	O1	H6	122.3°	122.7°
C8	C9	C10	C11	31.8°	23.6°
C8	C9	C10	O	149.5°	95.7°
C9	C8	C7	H3	96.0°	80.7°
C9	C8	H4	H5	121.0°	123.4°
C8	C9	C10	H7	85.9°	143.0°
C8	C9	O1	H9	180.0°	61.5°
C7	C11	C10	C9	45.0°	0.0°
C7	C11	C10	N	118.9°	119.2°
C7	C11	C10	H8	117.5°	119.3°
C7	C11	N	H8	122.4°	121.4°
C7	C11	C10	O	164.8°	119.3°
C11	C7	C8	H4	139.7°	156.3°
C11	C7	C8	H5	99.7°	80.4°
C7	C11	C10	H7	72.4°	119.3°
C7	C11	N	H11	180.0°	180.0°
C7	C11	N	H12	60.0°	56.1°
C10	C9	O1	H6	122.8°	122.6°
C9	C10	C11	O	119.7°	119.3°
C9	C10	C11	H7	117.5°	119.3°
C9	C10	C11	N	163.9°	119.3°
C9	C10	O	H7	123.7°	121.4°
C10	C9	C8	H4	112.8°	156.3°
C10	C9	C8	H5	126.5°	80.4°
C9	C10	C11	H8	72.5°	119.3°
C10	C9	O1	H9	65.0°	176.2°
C9	C10	O	H10	180.0°	61.4°
O1	C9	C10	C11	86.9°	142.3°
O1	C9	C10	O	30.9°	23.0°
O1	C9	C8	H4	128.1°	85.1°
O1	C9	C8	H5	7.4°	38.3°
O1	C9	C10	H7	155.4°	98.4°
C10	C11	N	H8	123.6°	121.4°
C11	C10	O	H7	122.1°	121.4°
C10	C11	C7	H3	76.2°	95.2°
C11	C10	C9	H6	149.5°	95.1°
C11	C10	O	H10	65.8°	178.6°
C10	C11	N	H11	66.0°	62.9°
C10	C11	N	H12	174.0°	173.2°
N	C11	C10	O	76.3°	121.4°
N	C11	C7	H3	43.5°	24.1°
N	C11	C10	H7	46.4°	0.1°
C11	N	H11	H12	120.0°	123.8°
O	C10	C9	H6	92.7°	145.6°
O	C10	C11	H8	47.3°	0.0°
H1	C4	C3	H14	0.2°	0.2°
H3	C7	C8	H4	23.6°	37.5°
H3	C7	C8	H5	144.3°	160.9°
H3	C7	C11	H8	166.1°	145.5°
H4	C8	C9	H6	5.0°	37.6°
H5	C8	C9	H6	115.7°	160.9°
H6	C9	C10	H7	31.8°	24.2°
H6	C9	O1	H9	57.7°	61.2°
H7	C10	C11	H8	170.1°	121.4°
H7	C10	O	H10	56.3°	60.0°
H8	C11	N	H11	57.6°	58.5°
H8	C11	N	H12	62.4°	65.3°
H14	C3	C2	H15	0.1°	0.1°
H16	C	H17	H18	120.0°	120.0°

Release date:	2020-04-22
Definition date:	2017-10-20
Last modified:	2020-04-17
Release status:	REL
Processing site:	RCSB
Derived from:	5QBC