I2Z

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C10	doub	1.22Å	1.21Å
N3	C10	sing	1.34Å	1.42Å
N3	C11	sing	1.35Å	1.42Å
C10	N2	sing	1.34Å	1.39Å
O	C11	doub	1.21Å	1.19Å
C11	C1	sing	1.51Å	1.30Å
N2	C3	sing	1.46Å	1.50Å
N2	C2	sing	1.46Å	1.31Å
C1	C2	sing	1.53Å	1.18Å
C1	N	sing	1.47Å	1.23Å
C3	C4	sing	1.51Å	1.48Å
C2	N1	sing	1.47Å	1.38Å
N	C	sing	1.47Å	1.47Å
C5	C4	doub	1.38Å	1.39Å	Aromatic
C5	C6	sing	1.38Å	1.38Å	Aromatic
C4	C9	sing	1.38Å	1.41Å	Aromatic
C6	C7	doub	1.38Å	1.43Å	Aromatic
C9	C8	doub	1.38Å	1.39Å	Aromatic
C8	C7	sing	1.38Å	1.38Å	Aromatic
N1	H1	sing	1.01Å	1.00Å
N1	H2	sing	1.01Å	1.00Å
N3	H4	sing	0.97Å	1.00Å
C5	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C1	H9	sing	1.09Å	1.10Å
N	H10	sing	1.01Å	1.00Å
C	H12	sing	1.09Å	1.10Å
C	H13	sing	1.09Å	1.10Å
C	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)
O1	C10	N3	124.0°	119.2°
O1	C10	N2	121.4°	119.2°
C10	N3	C11	117.6°	121.0°
N3	C10	N2	114.6°	121.6°
C10	N3	H4	121.2°	119.5°
N3	C11	O	125.6°	120.0°
N3	C11	C1	115.9°	120.0°
C11	N3	H4	121.2°	119.5°
C10	N2	C3	117.8°	119.5°
C10	N2	C2	122.6°	120.9°
O	C11	C1	118.5°	120.0°
C11	C1	C2	129.0°	109.2°
C11	C1	N	126.5°	109.5°
C11	C1	H9	94.9°	109.5°
C3	N2	C2	119.5°	119.6°
N2	C3	C4	111.4°	109.5°
N2	C3	H16	109.0°	109.5°
N2	C3	H17	109.0°	109.5°
N2	C2	C1	119.6°	109.5°
N2	C2	N1	126.5°	109.5°
N2	C2	H15	91.8°	109.4°
C2	C1	N	102.1°	109.5°
C1	C2	N1	113.6°	109.5°
C2	C1	H9	95.4°	109.5°
C1	C2	H15	92.0°	109.4°
C1	N	C	107.7°	111.0°
N	C1	H9	95.2°	109.5°
C1	N	H10	109.9°	111.0°
C3	C4	C5	119.1°	120.0°
C3	C4	C9	119.4°	120.0°
C4	C3	H16	109.0°	109.5°
C4	C3	H17	109.0°	109.4°
C2	N1	H1	109.5°	111.0°
C2	N1	H2	109.5°	111.0°
N1	C2	H15	91.7°	109.5°
C	N	H10	109.9°	111.0°
N	C	H12	109.5°	109.4°
N	C	H13	109.5°	109.5°
N	C	H14	109.5°	109.4°
C4	C5	C6	119.6°	120.0°
C5	C4	C9	121.5°	120.0°
C4	C5	H5	120.2°	120.0°
C5	C6	C7	119.2°	120.0°
C6	C5	H5	120.2°	120.0°
C5	C6	H6	120.4°	120.0°
C4	C9	C8	118.7°	120.0°
C4	C9	H18	120.7°	120.0°
C6	C7	C8	120.7°	120.0°
C7	C6	H6	120.4°	120.0°
C6	C7	H7	119.6°	120.0°
C9	C8	C7	120.2°	120.0°
C9	C8	H8	119.9°	120.0°
C8	C9	H18	120.6°	120.0°
C8	C7	H7	119.7°	120.0°
C7	C8	H8	119.9°	120.0°
H1	N1	H2	109.5°	111.0°
H12	C	H13	109.5°	109.5°
H12	C	H14	109.5°	109.4°
H13	C	H14	109.4°	109.5°
H16	C3	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C10	N3	N2	178.8°	179.9°
O1	C10	N3	C11	174.9°	167.9°
O1	C10	N2	C3	4.4°	5.6°
O1	C10	N2	C2	179.2°	174.3°
O1	C10	N3	H4	5.2°	11.8°
C10	N3	C11	H4	180.0°	179.7°
C10	N3	C11	O	176.2°	175.5°
C10	N3	C11	C1	3.5°	4.4°
N3	C10	N2	C3	174.4°	174.3°
N3	C10	N2	C2	1.9°	5.8°
C11	N3	C10	N2	4.0°	12.0°
N3	C11	O	C1	179.8°	179.9°
N3	C11	C1	C2	3.9°	34.2°
N3	C11	C1	N	154.9°	85.7°
N3	C11	C1	H9	104.9°	154.2°
C10	N2	C3	C2	176.4°	179.9°
C10	N2	C2	C1	8.9°	35.9°
C10	N2	C3	C4	136.0°	90.1°
C10	N2	C2	N1	164.2°	84.1°
N2	C10	N3	H4	176.0°	168.3°
C10	N2	C2	H15	102.3°	155.9°
C10	N2	C3	H16	103.8°	30.0°
C10	N2	C3	H17	15.7°	150.0°
O	C11	C1	C2	176.3°	145.7°
O	C11	C1	N	24.9°	94.4°
O	C11	N3	H4	3.8°	4.8°
O	C11	C1	H9	75.3°	25.7°
C11	C1	C2	N2	10.3°	46.7°
C11	C1	C2	N	162.7°	119.9°
C11	C1	C2	H9	100.8°	120.0°
C11	C1	N	H9	100.0°	120.2°
C11	C1	C2	N1	163.7°	73.3°
C11	C1	N	C	77.0°	85.0°
C1	C11	N3	H4	176.5°	175.3°
C11	C1	N	H10	42.8°	151.1°
C11	C1	C2	H15	103.5°	166.7°
C3	N2	C2	C1	167.3°	144.2°
N2	C3	C4	H16	120.3°	120.0°
N2	C3	C4	H17	120.3°	120.0°
C3	N2	C2	N1	19.5°	95.8°
N2	C3	C4	C5	47.0°	90.3°
N2	C3	C4	C9	132.9°	90.0°
C3	N2	C2	H15	74.0°	24.2°
N2	C3	H16	H17	119.1°	120.0°
N2	C2	C1	N1	174.0°	120.1°
N2	C2	C1	H15	93.2°	119.9°
N2	C2	C1	N	152.5°	73.2°
C2	N2	C3	C4	40.5°	90.0°
N2	C2	N1	H15	93.5°	120.0°
N2	C2	N1	H1	180.0°	59.9°
N2	C2	N1	H2	60.0°	176.1°
N2	C2	C1	H9	111.0°	166.7°
C2	N2	C3	H16	79.8°	149.9°
C2	N2	C3	H17	160.8°	29.9°
C2	C1	N	H9	96.7°	120.1°
C1	C2	N1	H15	93.0°	120.0°
C2	C1	N	C	86.4°	155.3°
C1	C2	N1	H1	6.5°	180.0°
C1	C2	N1	H2	113.5°	56.1°
C2	C1	N	H10	153.9°	31.3°
N	C1	C2	N1	33.6°	166.7°
C1	N	C	H10	119.7°	124.0°
C1	N	C	H12	180.0°	60.0°
C1	N	C	H13	60.0°	180.0°
C1	N	C	H14	60.0°	60.0°
N	C1	C2	H15	59.2°	46.7°
C3	C4	C5	C9	179.9°	179.8°
C3	C4	C5	C6	178.0°	179.7°
C3	C4	C9	C8	179.9°	179.8°
C3	C4	C5	H5	2.0°	0.2°
C4	C3	H16	H17	119.1°	120.0°
C3	C4	C9	H18	0.1°	0.2°
C2	N1	H1	H2	120.0°	124.0°
N1	C2	C1	H9	62.9°	46.6°
C	N	C1	H9	177.0°	35.2°
N	C	H12	H13	120.0°	120.0°
N	C	H12	H14	120.0°	119.9°
N	C	H13	H14	120.0°	120.0°
C4	C5	C6	H5	180.0°	179.9°
C4	C5	C6	C7	1.9°	0.1°
C5	C4	C9	C8	0.0°	0.0°
C4	C5	C6	H6	178.1°	180.0°
C5	C4	C3	H16	167.3°	29.7°
C5	C4	C3	H17	73.3°	149.7°
C5	C4	C9	H18	180.0°	180.0°
C6	C5	C4	C9	1.9°	0.0°
C5	C6	C7	H6	180.0°	179.9°
C5	C6	C7	C8	0.1°	0.1°
C5	C6	C7	H7	180.0°	180.0°
C4	C9	C8	H18	180.0°	180.0°
C4	C9	C8	C7	1.9°	0.0°
C9	C4	C5	H5	178.1°	180.0°
C4	C9	C8	H8	178.1°	179.9°
C9	C4	C3	H16	12.6°	150.0°
C9	C4	C3	H17	106.8°	30.0°
C6	C7	C8	C9	2.0°	0.0°
C6	C7	C8	H7	180.0°	179.9°
C7	C6	C5	H5	178.1°	180.0°
C6	C7	C8	H8	178.0°	179.9°
C9	C8	C7	H8	180.0°	179.9°
C9	C8	C7	H7	178.0°	179.9°
C8	C7	C6	H6	180.0°	180.0°
C7	C8	C9	H18	178.0°	180.0°
H1	N1	C2	H15	86.5°	60.1°
H2	N1	C2	H15	153.5°	63.9°
H5	C5	C6	H6	1.9°	0.0°
H6	C6	C7	H7	0.0°	0.1°
H7	C7	C8	H8	2.0°	0.0°
H8	C8	C9	H18	1.9°	0.1°
H9	C1	N	H10	57.2°	88.8°
H9	C1	C2	H15	155.7°	73.4°
H10	N	C	H12	60.3°	64.0°
H10	N	C	H13	179.7°	56.1°
H10	N	C	H14	59.7°	176.1°
H12	C	H13	H14	120.0°	120.0°

Release date:	2022-05-04
Definition date:	2022-02-09
Last modified:	2022-08-22
Release status:	REL
Processing site:	PDBE
Derived from:	7R4P