DC7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C6	doub	1.32Å	1.34Å	Aromatic
N1	C5	sing	1.32Å	1.34Å	Aromatic
C6	C2	sing	1.38Å	1.38Å	Aromatic
C5	C4	doub	1.38Å	1.38Å	Aromatic
C2	C1	sing	1.51Å	1.50Å
C2	C3	doub	1.39Å	1.39Å	Aromatic
C1	N	sing	1.47Å	1.55Å
C4	C3	sing	1.39Å	1.38Å	Aromatic
C	N	sing	1.47Å	1.49Å
N	C7	sing	1.47Å	1.54Å
C7	C8	sing	1.51Å	1.50Å
S	C8	sing	1.71Å	1.73Å	Aromatic
S	C10	sing	1.76Å	1.72Å	Aromatic
C8	N2	doub	1.29Å	1.30Å	Aromatic
N2	C9	sing	1.32Å	1.37Å	Aromatic
C10	C9	doub	1.34Å	1.35Å	Aromatic
C9	C11	sing	1.51Å	1.52Å
C12	C11	sing	1.53Å	1.53Å
C12	C13	sing	1.53Å	1.52Å
C11	O	sing	1.43Å	1.43Å
C11	C15	sing	1.53Å	1.53Å
C13	N3	sing	1.47Å	1.49Å
C15	C14	sing	1.53Å	1.52Å
N3	C14	sing	1.47Å	1.49Å
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C6	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.09Å	1.10Å
C12	H8	sing	1.09Å	1.10Å
N3	H9	sing	1.01Å	1.00Å
C13	H11	sing	1.09Å	1.10Å
C13	H12	sing	1.09Å	1.10Å
C14	H13	sing	1.09Å	1.10Å
C14	H14	sing	1.09Å	1.10Å
C15	H15	sing	1.09Å	1.10Å
C15	H16	sing	1.09Å	1.10Å
O	H17	sing	0.97Å	0.95Å
C	H19	sing	1.09Å	1.10Å
C	H20	sing	1.09Å	1.10Å
C	H21	sing	1.09Å	1.10Å
C1	H22	sing	1.09Å	1.10Å
C1	H23	sing	1.09Å	1.10Å
C3	H24	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	N1	C5	117.2°	121.7°
N1	C6	C2	124.4°	120.8°
N1	C6	H3	117.8°	119.6°
N1	C5	C4	123.2°	120.8°
N1	C5	H2	118.4°	119.6°
C6	C2	C1	122.7°	120.4°
C6	C2	C3	116.7°	119.2°
C2	C6	H3	117.8°	119.6°
C5	C4	C3	118.4°	119.2°
C5	C4	H1	120.8°	120.4°
C4	C5	H2	118.4°	119.6°
C1	C2	C3	120.6°	120.4°
C2	C1	N	110.6°	109.4°
C2	C1	H22	109.2°	109.5°
C2	C1	H23	109.2°	109.5°
C2	C3	C4	120.1°	118.4°
C2	C3	H24	119.9°	120.8°
C1	N	C	111.2°	111.0°
C1	N	C7	111.6°	111.0°
N	C1	H22	109.2°	109.5°
N	C1	H23	109.2°	109.5°
C3	C4	H1	120.8°	120.4°
C4	C3	H24	119.9°	120.8°
C	N	C7	111.5°	110.9°
N	C	H19	109.5°	109.5°
N	C	H20	109.5°	109.4°
N	C	H21	109.5°	109.5°
N	C7	C8	111.6°	109.5°
N	C7	H4	108.9°	109.4°
N	C7	H5	109.0°	109.5°
C7	C8	S	121.5°	124.9°
C7	C8	N2	122.7°	124.9°
C8	C7	H4	108.9°	109.5°
C8	C7	H5	108.9°	109.5°
C8	S	C10	88.1°	90.3°
S	C8	N2	115.8°	110.2°
S	C10	C9	110.9°	107.9°
S	C10	H6	124.6°	126.0°
C8	N2	C9	110.0°	117.1°
N2	C9	C10	115.3°	114.5°
N2	C9	C11	121.3°	122.7°
C10	C9	C11	123.4°	122.7°
C9	C10	H6	124.6°	126.0°
C9	C11	C12	109.9°	109.5°
C9	C11	O	105.4°	109.5°
C9	C11	C15	113.6°	109.5°
C11	C12	C13	112.0°	109.3°
C12	C11	O	108.6°	109.5°
C12	C11	C15	110.6°	109.2°
C11	C12	H7	108.9°	109.5°
C11	C12	H8	108.9°	109.5°
C12	C13	N3	110.3°	109.5°
C13	C12	H7	108.9°	109.5°
C13	C12	H8	108.8°	109.5°
C12	C13	H11	109.3°	109.5°
C12	C13	H12	109.2°	109.5°
O	C11	C15	108.6°	109.6°
C11	O	H17	109.5°	114.1°
C11	C15	C14	111.5°	109.3°
C11	C15	H15	109.0°	109.5°
C11	C15	H16	108.9°	109.5°
C13	N3	C14	111.7°	111.2°
C13	N3	H9	108.9°	111.0°
N3	C13	H11	109.2°	109.5°
N3	C13	H12	109.3°	109.4°
C15	C14	N3	110.0°	109.5°
C15	C14	H13	109.4°	109.4°
C15	C14	H14	109.3°	109.5°
C14	C15	H15	108.9°	109.5°
C14	C15	H16	109.0°	109.6°
C14	N3	H9	108.9°	111.0°
N3	C14	H13	109.3°	109.5°
N3	C14	H14	109.4°	109.5°
H4	C7	H5	109.5°	109.5°
H7	C12	H8	109.4°	109.6°
H11	C13	H12	109.5°	109.4°
H13	C14	H14	109.5°	109.5°
H15	C15	H16	109.5°	109.5°
H19	C	H20	109.5°	109.4°
H19	C	H21	109.5°	109.5°
H20	C	H21	109.4°	109.5°
H22	C1	H23	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C6	C2	H3	180.0°	179.6°
C6	N1	C5	C4	0.2°	0.0°
N1	C6	C2	C1	177.5°	179.5°
N1	C6	C2	C3	0.6°	0.5°
C6	N1	C5	H2	179.8°	180.0°
C5	N1	C6	C2	0.3°	0.2°
N1	C5	C4	H2	180.0°	180.0°
N1	C5	C4	C3	0.3°	0.0°
N1	C5	C4	H1	179.7°	179.7°
C5	N1	C6	H3	179.8°	179.7°
C6	C2	C1	C3	178.0°	180.0°
C6	C2	C1	N	76.7°	90.0°
C6	C2	C3	C4	0.5°	0.5°
C6	C2	C1	H22	43.5°	30.0°
C6	C2	C1	H23	163.1°	150.0°
C6	C2	C3	H24	179.5°	179.5°
C5	C4	C3	C2	0.1°	0.3°
C5	C4	C3	H1	180.0°	179.6°
C5	C4	C3	H24	179.9°	179.8°
C2	C1	N	H22	120.1°	120.0°
C2	C1	N	H23	120.2°	120.0°
C1	C2	C3	C4	177.7°	179.5°
C2	C1	N	C	171.2°	66.1°
C2	C1	N	C7	63.7°	170.0°
C1	C2	C6	H3	2.5°	0.0°
C2	C1	H22	H23	119.5°	120.0°
C1	C2	C3	H24	2.4°	0.5°
C3	C2	C1	N	105.3°	90.0°
C2	C3	C4	H24	180.0°	179.9°
C2	C3	C4	H1	179.9°	180.0°
C3	C2	C6	H3	179.4°	180.0°
C3	C2	C1	H22	134.5°	150.0°
C3	C2	C1	H23	14.9°	30.0°
C1	N	C	C7	125.2°	123.9°
C1	N	C7	C8	178.2°	170.0°
C1	N	C7	H4	57.9°	50.0°
C1	N	C7	H5	61.5°	70.0°
C1	N	C	H19	180.0°	176.1°
C1	N	C	H20	60.0°	56.1°
C1	N	C	H21	60.0°	63.9°
N	C1	H22	H23	119.5°	120.0°
C3	C4	C5	H2	179.7°	180.0°
C	N	C7	C8	53.1°	66.1°
C	N	C7	H4	67.1°	173.9°
C	N	C7	H5	173.5°	54.0°
N	C	H19	H20	120.0°	119.9°
N	C	H19	H21	120.0°	120.1°
N	C	H20	H21	120.0°	120.0°
C	N	C1	H22	51.0°	173.9°
C	N	C1	H23	68.6°	53.9°
N	C7	C8	H4	120.3°	119.9°
N	C7	C8	H5	120.4°	120.1°
N	C7	C8	S	75.0°	90.2°
N	C7	C8	N2	104.7°	90.0°
N	C7	H4	H5	119.0°	120.0°
C7	N	C	H19	54.8°	60.0°
C7	N	C	H20	174.8°	180.0°
C7	N	C	H21	65.2°	60.0°
C7	N	C1	H22	176.2°	50.1°
C7	N	C1	H23	56.5°	70.0°
C7	C8	S	N2	179.7°	179.8°
C7	C8	S	C10	179.6°	180.0°
C7	C8	N2	C9	179.7°	180.0°
C8	C7	H4	H5	119.0°	120.0°
S	C8	N2	C9	0.0°	0.2°
C8	S	C10	C9	0.1°	0.3°
S	C8	C7	H4	164.7°	29.7°
S	C8	C7	H5	45.3°	149.7°
C8	S	C10	H6	179.8°	179.9°
C10	S	C8	N2	0.1°	0.3°
S	C10	C9	N2	0.2°	0.2°
S	C10	C9	H6	180.0°	179.8°
S	C10	C9	C11	179.0°	179.8°
C8	N2	C9	C10	0.1°	0.0°
C8	N2	C9	C11	179.1°	180.0°
N2	C8	C7	H4	15.6°	150.0°
N2	C8	C7	H5	135.0°	30.1°
N2	C9	C10	C11	179.2°	180.0°
N2	C9	C11	C12	99.7°	119.9°
N2	C9	C11	O	17.1°	120.0°
N2	C9	C11	C15	135.8°	0.2°
N2	C9	C10	H6	179.8°	180.0°
C10	C9	C11	C12	81.1°	60.2°
C10	C9	C11	O	162.1°	60.0°
C10	C9	C11	C15	43.3°	179.9°
C9	C11	C12	O	114.8°	120.1°
C9	C11	C12	C15	126.2°	119.9°
C9	C11	C12	C13	172.7°	177.6°
C9	C11	O	C15	122.1°	120.2°
C9	C11	C15	C14	160.9°	177.6°
C11	C9	C10	H6	1.0°	0.0°
C9	C11	C12	H7	66.9°	57.6°
C9	C11	C12	H8	52.3°	62.5°
C9	C11	C15	H15	78.7°	62.5°
C9	C11	C15	H16	40.6°	57.5°
C9	C11	O	H17	180.0°	60.0°
C11	C12	C13	H7	120.4°	119.9°
C11	C12	C13	H8	120.4°	119.9°
C12	C11	O	C15	120.3°	119.7°
C11	C12	C13	N3	19.2°	59.2°
C12	C11	C15	C14	36.9°	57.7°
C11	C12	H7	H8	118.9°	120.1°
C11	C12	C13	H11	139.4°	179.3°
C11	C12	C13	H12	100.9°	60.8°
C12	C11	C15	H15	157.2°	177.6°
C12	C11	C15	H16	83.4°	62.3°
C12	C11	O	H17	62.4°	60.1°
C13	C12	C11	O	57.9°	62.3°
C13	C12	C11	C15	61.1°	57.6°
C12	C13	N3	H11	120.1°	120.0°
C12	C13	N3	H12	120.1°	120.0°
C12	C13	N3	C14	43.7°	61.8°
C13	C12	H7	H8	118.8°	120.1°
C12	C13	N3	H9	164.0°	62.3°
C12	C13	H11	H12	119.6°	120.0°
O	C11	C15	C14	82.2°	62.3°
O	C11	C12	H7	178.3°	177.7°
O	C11	C12	H8	62.5°	57.6°
O	C11	C15	H15	38.2°	57.6°
O	C11	C15	H16	157.5°	177.7°
C11	C15	C14	H15	120.3°	119.9°
C11	C15	C14	H16	120.3°	120.0°
C11	C15	C14	N3	23.7°	59.2°
C15	C11	C12	H7	59.3°	62.3°
C15	C11	C12	H8	178.5°	177.5°
C11	C15	C14	H13	143.7°	179.2°
C11	C15	C14	H14	96.4°	60.9°
C11	C15	H15	H16	119.1°	120.1°
C15	C11	O	H17	57.9°	179.9°
C13	N3	C14	C15	68.2°	61.8°
C13	N3	C14	H9	120.3°	124.1°
N3	C13	C12	H7	101.1°	60.7°
N3	C13	C12	H8	139.6°	179.1°
N3	C13	H11	H12	119.6°	119.9°
C13	N3	C14	H13	171.8°	178.3°
C13	N3	C14	H14	51.9°	58.2°
C15	C14	N3	H13	120.1°	120.0°
C15	C14	N3	H14	120.0°	120.0°
C15	C14	N3	H9	171.5°	62.3°
C15	C14	H13	H14	119.8°	119.9°
C14	C15	H15	H16	119.0°	120.1°
C14	N3	C13	H11	76.5°	178.2°
C14	N3	C13	H12	163.8°	58.2°
N3	C14	H13	H14	119.8°	120.1°
N3	C14	C15	H15	96.7°	179.1°
N3	C14	C15	H16	144.0°	60.8°
H1	C4	C5	H2	0.2°	0.3°
H1	C4	C3	H24	0.1°	0.1°
H7	C12	C13	H11	19.0°	59.3°
H7	C12	C13	H12	138.7°	179.3°
H8	C12	C13	H11	100.2°	60.9°
H8	C12	C13	H12	19.5°	59.1°
H9	N3	C13	H11	43.8°	57.7°
H9	N3	C13	H12	75.9°	177.7°
H9	N3	C14	H13	51.4°	57.6°
H9	N3	C14	H14	68.5°	177.7°
H13	C14	C15	H15	23.4°	60.9°
H13	C14	C15	H16	96.0°	59.2°
H14	C14	C15	H15	143.2°	59.1°
H14	C14	C15	H16	23.9°	179.1°
H19	C	H20	H21	120.0°	120.0°

Release date:	2020-04-22
Definition date:	2017-10-23
Last modified:	2020-04-17
Release status:	REL
Processing site:	RCSB
Derived from:	5QBQ