0IG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	N2	sing	1.47Å	1.46Å
N2	C3	sing	1.39Å	1.33Å
N2	C4	sing	1.35Å	1.41Å
O1	C4	doub	1.22Å	1.24Å
N1	C3	sing	1.34Å	1.35Å	Aromatic
N1	C2	doub	1.31Å	1.47Å	Aromatic
C3	C7	doub	1.39Å	1.48Å	Aromatic
C4	N3	sing	1.34Å	1.41Å
C2	N	sing	1.35Å	1.44Å	Aromatic
N3	C5	sing	1.46Å	1.46Å
N3	C8	sing	1.35Å	1.40Å
C7	N	sing	1.38Å	1.32Å	Aromatic
C7	C8	sing	1.41Å	1.48Å
N	C1	sing	1.46Å	1.46Å
C8	O2	doub	1.22Å	1.24Å
C1	C	sing	1.51Å	1.50Å
C	N4	sing	1.35Å	1.32Å
C	O	doub	1.21Å	1.21Å
N4	C9	sing	1.39Å	1.35Å
C9	S	sing	1.76Å	1.71Å	Aromatic
C9	N5	doub	1.30Å	1.35Å	Aromatic
S	C17	sing	1.76Å	1.72Å	Aromatic
N5	C10	sing	1.33Å	1.37Å	Aromatic
C17	C10	doub	1.37Å	1.40Å	Aromatic
C10	C11	sing	1.47Å	1.48Å
C11	C12	doub	1.41Å	1.39Å	Aromatic
C11	C16	sing	1.41Å	1.39Å	Aromatic
C12	C13	sing	1.36Å	1.39Å	Aromatic
C16	C15	doub	1.36Å	1.38Å	Aromatic
C13	C14	doub	1.42Å	1.39Å	Aromatic
C15	C14	sing	1.42Å	1.38Å	Aromatic
C14	N6	sing	1.33Å	1.39Å
N6	N7	doub	1.12Å	1.29Å
N7	N8	doub	1.12Å	1.16Å
C5	H1	sing	1.09Å	1.10Å
C5	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.08Å	1.08Å
C1	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C12	H7	sing	1.08Å	1.08Å
C13	H8	sing	1.08Å	1.08Å
C15	H9	sing	1.08Å	1.08Å
C16	H10	sing	1.08Å	1.08Å
C17	H11	sing	1.08Å	1.08Å
C6	H12	sing	1.09Å	1.10Å
C6	H13	sing	1.09Å	1.10Å
C6	H14	sing	1.09Å	1.10Å
N4	H15	sing	0.97Å	1.00Å
N8	H16	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	N2	C3	119.6°	119.9°
C6	N2	C4	119.0°	120.0°
N2	C6	H12	109.5°	109.4°
N2	C6	H13	109.5°	109.5°
N2	C6	H14	109.5°	109.5°
C3	N2	C4	121.4°	120.1°
N2	C3	N1	132.7°	133.9°
N2	C3	C7	118.3°	118.8°
N2	C4	O1	118.6°	119.1°
N2	C4	N3	122.8°	121.7°
O1	C4	N3	118.6°	119.2°
C3	N1	C2	109.7°	109.8°
N1	C3	C7	109.0°	107.3°
N1	C2	N	102.0°	109.7°
N1	C2	H4	129.0°	125.2°
C3	C7	N	105.0°	106.2°
C3	C7	C8	121.1°	119.2°
C4	N3	C5	119.1°	119.5°
C4	N3	C8	120.2°	121.0°
C2	N	C7	114.4°	107.0°
C2	N	C1	109.4°	126.5°
N	C2	H4	129.0°	125.1°
C5	N3	C8	120.7°	119.5°
N3	C5	H1	109.5°	109.5°
N3	C5	H2	109.5°	109.5°
N3	C5	H3	109.5°	109.4°
N3	C8	C7	116.2°	119.2°
N3	C8	O2	120.7°	120.4°
N	C7	C8	133.9°	134.6°
C7	N	C1	136.1°	126.5°
C7	C8	O2	123.1°	120.4°
N	C1	C	115.2°	109.5°
N	C1	H5	108.0°	109.5°
N	C1	H6	108.0°	109.5°
C1	C	N4	116.2°	120.0°
C1	C	O	119.7°	120.0°
C	C1	H5	108.0°	109.5°
C	C1	H6	108.0°	109.5°
N4	C	O	124.1°	120.0°
C	N4	C9	123.0°	120.0°
C	N4	H15	118.5°	119.9°
N4	C9	S	121.2°	125.1°
N4	C9	N5	126.3°	125.0°
C9	N4	H15	118.5°	120.1°
S	C9	N5	112.5°	109.8°
C9	S	C17	92.3°	90.2°
C9	N5	C10	111.8°	117.2°
S	C17	C10	107.8°	108.0°
S	C17	H11	126.1°	126.0°
N5	C10	C17	115.5°	114.8°
N5	C10	C11	124.0°	122.6°
C17	C10	C11	120.5°	122.6°
C10	C17	H11	126.1°	126.0°
C10	C11	C12	121.4°	119.9°
C10	C11	C16	118.3°	119.8°
C12	C11	C16	120.3°	120.3°
C11	C12	C13	119.8°	120.2°
C11	C12	H7	120.1°	119.9°
C11	C16	C15	119.9°	120.1°
C11	C16	H10	120.1°	120.0°
C12	C13	C14	119.5°	119.8°
C13	C12	H7	120.1°	120.0°
C12	C13	H8	120.2°	120.0°
C16	C15	C14	119.8°	119.8°
C16	C15	H9	120.1°	120.1°
C15	C16	H10	120.0°	119.9°
C13	C14	C15	120.6°	119.7°
C13	C14	N6	120.9°	120.1°
C14	C13	H8	120.2°	120.2°
C15	C14	N6	118.5°	120.2°
C14	C15	H9	120.1°	120.1°
C14	N6	N7	117.7°	120.0°
N6	N7	N8	179.3°	180.0°
N7	N8	H16	112.0°	120.0°
H1	C5	H2	109.5°	109.5°
H1	C5	H3	109.4°	109.4°
H2	C5	H3	109.5°	109.5°
H5	C1	H6	109.5°	109.5°
H12	C6	H13	109.4°	109.5°
H12	C6	H14	109.5°	109.4°
H13	C6	H14	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	N2	C3	C4	179.9°	179.9°
C6	N2	C4	O1	0.1°	0.0°
C6	N2	C3	N1	0.0°	0.1°
C6	N2	C3	C7	179.9°	180.0°
C6	N2	C4	N3	179.9°	180.0°
N2	C6	H12	H13	120.0°	120.0°
N2	C6	H12	H14	120.0°	120.0°
N2	C6	H13	H14	120.0°	120.1°
C3	N2	C4	O1	180.0°	179.9°
N2	C3	N1	C7	179.9°	179.9°
N2	C3	N1	C2	179.9°	179.7°
C3	N2	C4	N3	0.0°	0.1°
N2	C3	C7	N	179.7°	179.6°
N2	C3	C7	C8	0.1°	0.1°
C3	N2	C6	H12	180.0°	90.0°
C3	N2	C6	H13	60.0°	150.0°
C3	N2	C6	H14	60.0°	30.0°
N2	C4	O1	N3	180.0°	180.0°
C4	N2	C3	N1	179.9°	180.0°
C4	N2	C3	C7	0.1°	0.1°
N2	C4	N3	C5	180.0°	180.0°
N2	C4	N3	C8	0.0°	0.1°
C4	N2	C6	H12	0.1°	90.1°
C4	N2	C6	H13	120.0°	29.9°
C4	N2	C6	H14	120.0°	150.0°
O1	C4	N3	C5	0.0°	0.0°
O1	C4	N3	C8	180.0°	179.9°
C3	N1	C2	N	0.3°	0.0°
N1	C3	C7	N	0.4°	0.4°
N1	C3	C7	C8	180.0°	180.0°
C3	N1	C2	H4	179.7°	179.9°
C2	N1	C3	C7	0.0°	0.2°
N1	C2	N	H4	180.0°	179.9°
N1	C2	N	C7	0.6°	0.2°
N1	C2	N	C1	179.4°	180.0°
C3	C7	N	C2	0.6°	0.4°
C3	C7	C8	N3	0.1°	0.1°
C3	C7	N	C8	179.5°	179.6°
C3	C7	N	C1	178.9°	179.9°
C3	C7	C8	O2	180.0°	180.0°
C4	N3	C5	C8	180.0°	179.9°
C4	N3	C8	C7	0.1°	0.1°
C4	N3	C8	O2	179.9°	180.0°
C4	N3	C5	H1	180.0°	0.0°
C4	N3	C5	H2	60.0°	120.0°
C4	N3	C5	H3	60.0°	119.9°
C2	N	C7	C1	178.3°	179.8°
C2	N	C7	C8	179.8°	179.9°
C2	N	C1	C	153.4°	95.0°
C2	N	C1	H5	85.8°	145.0°
C2	N	C1	H6	32.6°	25.0°
C5	N3	C8	C7	180.0°	180.0°
C5	N3	C8	O2	0.1°	0.1°
N3	C5	H1	H2	120.0°	120.0°
N3	C5	H1	H3	120.0°	119.9°
N3	C5	H2	H3	120.0°	120.0°
N3	C8	C7	N	179.5°	179.5°
N3	C8	C7	O2	179.9°	179.9°
C8	N3	C5	H1	0.0°	179.9°
C8	N3	C5	H2	120.0°	60.0°
C8	N3	C5	H3	120.0°	60.0°
N	C7	C8	O2	0.6°	0.4°
C7	N	C1	C	28.2°	85.3°
C7	N	C2	H4	179.4°	179.7°
C7	N	C1	H5	92.6°	34.8°
C7	N	C1	H6	149.1°	154.7°
C8	C7	N	C1	1.6°	0.3°
N	C1	C	H5	120.8°	120.0°
N	C1	C	H6	120.8°	120.0°
N	C1	C	N4	69.4°	180.0°
N	C1	C	O	110.7°	0.3°
C1	N	C2	H4	0.7°	0.1°
N	C1	H5	H6	117.4°	120.0°
C1	C	N4	O	179.9°	179.7°
C1	C	N4	C9	167.2°	179.7°
C	C1	H5	H6	117.4°	120.0°
C1	C	N4	H15	12.8°	0.3°
C	N4	C9	H15	180.0°	180.0°
C	N4	C9	S	175.9°	0.0°
C	N4	C9	N5	4.4°	180.0°
N4	C	C1	H5	169.8°	60.0°
N4	C	C1	H6	51.4°	60.0°
O	C	N4	C9	12.7°	0.0°
O	C	C1	H5	10.2°	119.7°
O	C	C1	H6	128.5°	120.3°
O	C	N4	H15	167.3°	180.0°
N4	C9	S	N5	179.7°	180.0°
N4	C9	S	C17	179.9°	180.0°
N4	C9	N5	C10	180.0°	179.9°
S	C9	N5	C10	0.3°	0.1°
C9	S	C17	C10	0.0°	0.1°
C9	S	C17	H11	180.0°	179.9°
S	C9	N4	H15	4.1°	180.0°
N5	C9	S	C17	0.2°	0.0°
C9	N5	C10	C17	0.3°	0.2°
C9	N5	C10	C11	179.9°	180.0°
N5	C9	N4	H15	175.6°	0.0°
S	C17	C10	N5	0.1°	0.2°
S	C17	C10	H11	180.0°	180.0°
S	C17	C10	C11	180.0°	180.0°
N5	C10	C17	C11	179.9°	179.8°
N5	C10	C11	C12	22.4°	0.2°
N5	C10	C11	C16	157.5°	179.4°
N5	C10	C17	H11	179.9°	179.8°
C17	C10	C11	C12	157.4°	180.0°
C17	C10	C11	C16	22.7°	0.3°
C10	C11	C12	C16	179.9°	179.7°
C10	C11	C12	C13	180.0°	180.0°
C10	C11	C16	C15	180.0°	179.7°
C10	C11	C12	H7	0.0°	0.0°
C10	C11	C16	H10	0.0°	0.0°
C11	C10	C17	H11	0.0°	0.0°
C11	C12	C13	H7	180.0°	180.0°
C12	C11	C16	C15	0.1°	0.6°
C11	C12	C13	C14	0.0°	0.1°
C11	C12	C13	H8	180.0°	179.9°
C12	C11	C16	H10	179.8°	179.7°
C16	C11	C12	C13	0.1°	0.3°
C11	C16	C15	H10	180.0°	179.8°
C11	C16	C15	C14	0.1°	0.5°
C16	C11	C12	H7	179.9°	179.7°
C11	C16	C15	H9	179.9°	179.7°
C12	C13	C14	H8	180.0°	180.0°
C12	C13	C14	C15	0.1°	0.0°
C12	C13	C14	N6	179.9°	180.0°
C16	C15	C14	C13	0.1°	0.3°
C16	C15	C14	H9	180.0°	179.8°
C16	C15	C14	N6	180.0°	179.8°
C13	C14	C15	N6	179.9°	180.0°
C13	C14	N6	N7	141.8°	180.0°
C14	C13	C12	H7	180.0°	180.0°
C13	C14	C15	H9	179.9°	180.0°
C15	C14	N6	N7	38.0°	0.0°
C15	C14	C13	H8	180.0°	180.0°
C14	C15	C16	H10	179.8°	179.7°
C14	N6	N7	N8	5.2°	169.4°
N6	C14	C13	H8	0.1°	0.0°
N6	C14	C15	H9	0.0°	0.0°
N6	N7	N8	H16	0.1°	100.6°
H1	C5	H2	H3	120.0°	120.0°
H7	C12	C13	H8	0.0°	0.0°
H9	C15	C16	H10	0.2°	0.0°
H12	C6	H13	H14	120.0°	120.0°

Release date:	2022-06-22
Definition date:	2021-06-07
Last modified:	2022-06-17
Release status:	REL
Processing site:	PDBE
Derived from:	7OR0