RGY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N1	sing	1.47Å	1.24Å
N1	C2	sing	1.50Å	1.37Å
N1	C7	sing	1.48Å	1.40Å
C2	C10	sing	1.52Å	1.47Å
C2	C3	sing	1.55Å	1.48Å
C10	O2	sing	1.32Å	1.32Å	Aromatic
C10	C9	doub	1.36Å	1.53Å	Aromatic
O2	N3	sing	1.22Å	1.46Å	Aromatic
C6	C7	sing	1.52Å	1.56Å
C6	N2	sing	1.47Å	1.49Å
N3	C11	doub	1.31Å	1.42Å	Aromatic
C7	C8	sing	1.53Å	1.46Å
C7	C4	sing	1.55Å	1.49Å
C9	C8	sing	1.50Å	1.91Å
C9	C11	sing	1.39Å	1.35Å	Aromatic
C8	O1	sing	1.43Å	1.28Å
C11	C12	sing	1.51Å	1.52Å
N2	C5	sing	1.47Å	1.51Å
C3	C4	sing	1.54Å	1.41Å
C4	C5	sing	1.54Å	1.60Å
C4	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.09Å	1.10Å
C12	H11	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C2	H14	sing	1.09Å	1.10Å
C3	H15	sing	1.09Å	1.10Å
C3	H16	sing	1.09Å	1.10Å
N2	H17	sing	1.01Å	1.00Å
O1	H19	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	C2	118.1°	111.0°
C1	N1	C7	122.5°	111.0°
N1	C1	H8	109.5°	109.4°
N1	C1	H9	109.5°	109.5°
N1	C1	H10	109.4°	109.5°
C2	N1	C7	109.7°	103.3°
N1	C2	C10	112.4°	104.9°
N1	C2	C3	99.7°	102.8°
N1	C2	H14	113.0°	114.1°
N1	C7	C6	112.9°	112.0°
N1	C7	C8	112.0°	110.2°
N1	C7	C4	99.5°	105.1°
C10	C2	C3	108.2°	105.6°
C2	C10	O2	130.8°	131.6°
C2	C10	C9	120.8°	121.7°
C10	C2	H14	111.4°	113.9°
C2	C3	C4	105.7°	104.5°
C3	C2	H14	111.4°	114.4°
C2	C3	H15	110.4°	110.4°
C2	C3	H16	110.4°	110.4°
O2	C10	C9	108.4°	106.7°
C10	O2	N3	106.8°	111.1°
C10	C9	C8	109.5°	123.3°
C10	C9	C11	108.0°	104.5°
O2	N3	C11	109.7°	111.7°
C7	C6	N2	107.6°	107.7°
C6	C7	C8	111.4°	112.6°
C6	C7	C4	106.7°	105.6°
C7	C6	H5	110.0°	109.8°
C7	C6	H6	109.9°	109.8°
C6	N2	C5	108.5°	109.2°
N2	C6	H5	109.9°	109.8°
N2	C6	H6	109.9°	109.8°
C6	N2	H17	109.7°	111.0°
N3	C11	C9	107.1°	105.9°
N3	C11	C12	126.5°	127.0°
C8	C7	C4	113.7°	111.0°
C7	C8	C9	107.5°	107.5°
C7	C8	O1	118.2°	109.8°
C7	C8	H7	109.0°	109.9°
C7	C4	C3	107.6°	104.7°
C7	C4	C5	107.0°	103.2°
C7	C4	H2	110.4°	113.0°
C8	C9	C11	142.5°	132.2°
C9	C8	O1	104.9°	109.8°
C9	C8	H7	104.4°	109.9°
C9	C11	C12	126.3°	127.0°
O1	C8	H7	111.7°	109.8°
C8	O1	H19	109.5°	114.0°
C11	C12	H11	109.5°	109.4°
C11	C12	H12	109.5°	109.5°
C11	C12	H13	109.5°	109.5°
N2	C5	C4	106.2°	106.8°
N2	C5	H3	110.3°	110.0°
N2	C5	H4	110.3°	110.0°
C5	N2	H17	109.7°	110.9°
C3	C4	C5	111.0°	108.9°
C3	C4	H2	111.7°	113.4°
C4	C3	H15	110.4°	110.4°
C4	C3	H16	110.4°	110.4°
C5	C4	H2	109.0°	112.8°
C4	C5	H3	110.3°	110.0°
C4	C5	H4	110.3°	109.9°
H3	C5	H4	109.5°	110.0°
H5	C6	H6	109.5°	109.8°
H8	C1	H9	109.4°	109.5°
H8	C1	H10	109.5°	109.5°
H9	C1	H10	109.5°	109.5°
H11	C12	H12	109.5°	109.5°
H11	C12	H13	109.5°	109.5°
H12	C12	H13	109.5°	109.5°
H15	C3	H16	109.5°	110.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	C2	C7	146.8°	119.0°
C1	N1	C2	C10	75.9°	52.9°
C1	N1	C2	C3	169.7°	163.1°
C1	N1	C7	C6	63.7°	86.0°
C1	N1	C7	C8	63.1°	40.2°
C1	N1	C7	C4	176.5°	159.8°
N1	C1	H8	H9	120.0°	120.0°
N1	C1	H8	H10	120.0°	119.9°
N1	C1	H9	H10	120.0°	120.0°
C1	N1	C2	H14	51.3°	72.5°
N1	C2	C10	C3	109.2°	108.2°
N1	C2	C10	H14	128.1°	125.5°
N1	C2	C3	H14	119.6°	124.2°
N1	C2	C10	O2	152.1°	149.7°
N1	C2	C10	C9	29.6°	30.6°
C2	N1	C7	C6	151.2°	154.9°
C2	N1	C7	C8	82.0°	78.9°
C2	N1	C7	C4	38.5°	40.7°
N1	C2	C3	C4	29.6°	30.2°
C2	N1	C1	H8	180.0°	60.1°
C2	N1	C1	H9	60.0°	179.9°
C2	N1	C1	H10	60.0°	59.9°
N1	C2	C3	H15	149.0°	88.6°
N1	C2	C3	H16	89.8°	149.0°
C7	N1	C2	C10	70.9°	66.2°
C7	N1	C2	C3	43.5°	44.0°
N1	C7	C6	C8	127.1°	124.9°
N1	C7	C6	C4	108.3°	113.9°
N1	C7	C6	N2	87.4°	98.3°
N1	C7	C8	C4	111.8°	116.0°
N1	C7	C8	C9	44.5°	45.5°
N1	C7	C8	O1	162.9°	164.9°
N1	C7	C4	C3	16.8°	21.0°
N1	C7	C4	C5	102.5°	92.9°
N1	C7	C4	H2	139.0°	144.9°
N1	C7	C6	H5	32.3°	21.3°
N1	C7	C6	H6	152.9°	142.2°
N1	C7	C8	H7	68.1°	74.2°
C7	N1	C1	H8	37.7°	54.2°
C7	N1	C1	H9	157.7°	65.8°
C7	N1	C1	H10	82.3°	174.2°
C7	N1	C2	H14	161.9°	168.5°
C10	C2	C3	H14	122.8°	126.1°
C2	C10	O2	C9	178.5°	179.7°
C2	C10	O2	N3	179.5°	179.6°
C2	C10	C9	C8	0.8°	0.5°
C2	C10	C9	C11	179.9°	179.6°
C10	C2	C3	C4	88.1°	79.5°
C10	C2	C3	H15	31.3°	161.7°
C10	C2	C3	H16	152.6°	39.2°
C3	C2	C10	O2	98.8°	102.1°
C3	C2	C10	C9	79.6°	77.6°
C2	C3	C4	C7	7.7°	5.9°
C2	C3	C4	H15	119.4°	118.8°
C2	C3	C4	H16	119.4°	118.7°
C2	C3	C4	C5	124.5°	115.7°
C2	C3	C4	H2	113.7°	117.8°
C2	C3	H15	H16	121.7°	122.4°
C10	O2	N3	C11	0.6°	0.1°
O2	C10	C9	C8	179.5°	179.7°
O2	C10	C9	C11	1.2°	0.2°
O2	C10	C2	H14	23.9°	24.2°
C9	C10	O2	N3	1.0°	0.2°
C10	C9	C11	N3	0.8°	0.1°
C10	C9	C8	C7	8.0°	6.8°
C10	C9	C8	C11	179.0°	179.9°
C10	C9	C8	O1	134.7°	126.2°
C10	C9	C11	C12	179.9°	179.9°
C10	C9	C8	H7	107.7°	112.8°
C9	C10	C2	H14	157.7°	156.1°
O2	N3	C11	C9	0.2°	0.0°
O2	N3	C11	C12	179.5°	180.0°
C7	C6	N2	H5	119.7°	119.6°
C7	C6	N2	H6	119.7°	119.5°
C6	C7	C8	C4	120.5°	118.2°
C6	C7	C8	C9	172.2°	171.3°
C6	C7	C8	O1	69.4°	69.2°
C7	C6	N2	C5	18.3°	1.5°
C6	C7	C4	C3	134.4°	139.6°
C6	C7	C4	C5	15.0°	25.7°
C6	C7	C4	H2	103.4°	96.5°
C7	C6	H5	H6	120.9°	120.9°
C6	C7	C8	H7	59.6°	51.7°
C7	C6	N2	H17	101.6°	124.1°
N2	C6	C7	C8	145.4°	136.8°
N2	C6	C7	C4	20.9°	15.6°
C6	N2	C5	H17	119.8°	122.6°
C6	N2	C5	C4	8.8°	18.2°
C6	N2	C5	H3	128.3°	137.5°
C6	N2	C5	H4	110.7°	101.1°
N2	C6	H5	H6	120.9°	120.9°
N3	C11	C9	C8	179.8°	179.8°
N3	C11	C9	C12	179.3°	180.0°
N3	C11	C12	H11	0.0°	90.0°
N3	C11	C12	H12	120.0°	150.0°
N3	C11	C12	H13	120.0°	30.0°
C7	C8	C9	O1	126.7°	119.4°
C7	C8	C9	H7	115.7°	119.6°
C7	C8	C9	C11	173.0°	173.4°
C7	C8	O1	H7	127.7°	121.0°
C8	C7	C4	C3	102.4°	98.1°
C8	C7	C4	C5	138.2°	147.9°
C8	C7	C4	H2	19.8°	25.8°
C8	C7	C6	H5	94.9°	103.6°
C8	C7	C6	H6	25.7°	17.3°
C7	C8	O1	H19	180.0°	180.0°
C4	C7	C8	C9	67.3°	70.5°
C4	C7	C8	O1	51.1°	48.9°
C7	C4	C5	N2	4.3°	27.0°
C7	C4	C3	C5	116.8°	109.8°
C7	C4	C3	H2	121.4°	123.7°
C7	C4	C5	H2	119.4°	122.3°
C7	C4	C5	H3	115.3°	146.3°
C7	C4	C5	H4	123.7°	92.4°
C4	C7	C6	H5	140.6°	135.2°
C4	C7	C6	H6	98.8°	104.0°
C4	C7	C8	H7	179.9°	169.9°
C7	C4	C3	H15	127.1°	112.9°
C7	C4	C3	H16	111.7°	124.6°
C9	C8	O1	H7	112.5°	121.0°
C8	C9	C11	C12	0.9°	0.3°
C9	C8	O1	H19	60.3°	62.0°
C11	C9	C8	O1	46.3°	53.9°
C11	C9	C8	H7	71.3°	67.1°
C9	C11	C12	H11	179.1°	90.0°
C9	C11	C12	H12	59.1°	30.0°
C9	C11	C12	H13	60.9°	150.0°
C11	C12	H11	H12	120.0°	120.0°
C11	C12	H11	H13	120.0°	120.0°
C11	C12	H12	H13	120.0°	120.0°
N2	C5	C4	C3	121.4°	137.8°
N2	C5	C4	H3	119.5°	119.4°
N2	C5	C4	H4	119.5°	119.4°
N2	C5	C4	H2	115.1°	95.3°
N2	C5	H3	H4	121.5°	121.4°
C5	N2	C6	H5	138.0°	118.0°
C5	N2	C6	H6	101.4°	121.1°
C3	C4	C5	H2	123.4°	126.8°
C3	C4	C5	H3	1.9°	102.8°
C3	C4	C5	H4	119.1°	18.5°
C4	C3	C2	H14	149.2°	154.4°
C4	C3	H15	H16	121.7°	122.5°
C4	C5	H3	H4	121.5°	121.2°
C5	C4	C3	H15	116.1°	3.1°
C5	C4	C3	H16	5.1°	125.6°
C4	C5	N2	H17	111.0°	140.8°
H2	C4	C5	H3	125.3°	24.0°
H2	C4	C5	H4	4.4°	145.3°
H2	C4	C3	H15	5.7°	123.5°
H2	C4	C3	H16	126.9°	0.9°
H3	C5	N2	H17	8.4°	99.8°
H4	C5	N2	H17	129.5°	21.6°
H5	C6	N2	H17	18.2°	4.5°
H6	C6	N2	H17	138.7°	116.3°
H7	C8	O1	H19	52.3°	59.1°
H8	C1	H9	H10	120.0°	120.0°
H11	C12	H12	H13	120.0°	120.0°
H14	C2	C3	H15	91.4°	35.7°
H14	C2	C3	H16	29.8°	86.8°

Release date:	2020-04-08
Definition date:	2020-02-12
Last modified:	2020-04-03
Release status:	REL
Processing site:	RCSB
Derived from:	5QXI