RWV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.51Å	1.44Å
S	C1	sing	1.71Å	1.73Å	Aromatic
S	C10	sing	1.76Å	1.69Å	Aromatic
C1	N	doub	1.29Å	1.32Å	Aromatic
N	C2	sing	1.32Å	1.45Å	Aromatic
C10	C2	doub	1.34Å	1.38Å	Aromatic
C2	C3	sing	1.51Å	1.51Å
C3	N1	sing	1.47Å	1.49Å
C5	C4	sing	1.53Å	1.47Å
C5	C6	sing	1.53Å	1.55Å
C4	N1	sing	1.47Å	1.49Å
N1	C9	sing	1.47Å	1.57Å
C9	C8	sing	1.53Å	1.54Å
C6	C7	sing	1.53Å	1.56Å
C6	C8	sing	1.53Å	1.55Å
N2	C7	sing	1.47Å	1.48Å
C4	H2	sing	1.09Å	1.10Å
C4	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C7	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
C8	H10	sing	1.09Å	1.10Å
C10	H11	sing	1.08Å	1.08Å
C	H12	sing	1.09Å	1.10Å
C	H13	sing	1.09Å	1.10Å
C	H14	sing	1.09Å	1.10Å
C3	H15	sing	1.09Å	1.10Å
C3	H16	sing	1.09Å	1.10Å
C9	H17	sing	1.09Å	1.10Å
C9	H18	sing	1.09Å	1.10Å
N2	H19	sing	1.01Å	1.00Å
N2	H20	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	S	120.0°	124.9°
C	C1	N	125.9°	125.0°
C1	C	H12	109.5°	109.5°
C1	C	H13	109.5°	109.5°
C1	C	H14	109.4°	109.4°
C1	S	C10	91.7°	90.3°
S	C1	N	114.1°	110.1°
S	C10	C2	111.0°	107.9°
S	C10	H11	124.5°	126.0°
C1	N	C2	110.1°	117.2°
N	C2	C10	113.1°	114.5°
N	C2	C3	118.4°	122.7°
C10	C2	C3	128.5°	122.8°
C2	C10	H11	124.5°	126.0°
C2	C3	N1	123.7°	109.5°
C2	C3	H15	105.8°	109.4°
C2	C3	H16	105.8°	109.4°
C3	N1	C4	113.7°	111.0°
C3	N1	C9	114.3°	111.0°
N1	C3	H15	105.8°	109.5°
N1	C3	H16	105.8°	109.5°
C4	C5	C6	105.3°	109.3°
C5	C4	N1	102.5°	109.5°
C5	C4	H2	111.2°	109.5°
C5	C4	H3	111.2°	109.5°
C4	C5	H4	110.5°	109.5°
C4	C5	H5	110.5°	109.5°
C5	C6	C7	104.4°	109.5°
C5	C6	C8	113.8°	109.2°
C6	C5	H4	110.5°	109.6°
C6	C5	H5	110.5°	109.5°
C5	C6	H6	107.8°	109.6°
C4	N1	C9	117.3°	111.2°
N1	C4	H2	111.1°	109.5°
N1	C4	H3	111.2°	109.4°
N1	C9	C8	108.5°	109.5°
N1	C9	H17	109.7°	109.5°
N1	C9	H18	109.7°	109.5°
C9	C8	C6	105.8°	109.3°
C9	C8	H9	110.4°	109.5°
C9	C8	H10	110.4°	109.5°
C8	C9	H17	109.7°	109.4°
C8	C9	H18	109.7°	109.5°
C7	C6	C8	114.9°	109.5°
C6	C7	N2	112.3°	109.5°
C7	C6	H6	107.7°	109.5°
C6	C7	H7	108.7°	109.5°
C6	C7	H8	108.7°	109.5°
C8	C6	H6	107.9°	109.6°
C6	C8	H9	110.4°	109.5°
C6	C8	H10	110.4°	109.5°
N2	C7	H7	108.8°	109.5°
N2	C7	H8	108.8°	109.5°
C7	N2	H19	109.5°	111.0°
C7	N2	H20	109.5°	111.1°
H2	C4	H3	109.5°	109.5°
H4	C5	H5	109.5°	109.5°
H7	C7	H8	109.5°	109.4°
H9	C8	H10	109.5°	109.5°
H12	C	H13	109.5°	109.5°
H12	C	H14	109.5°	109.4°
H13	C	H14	109.5°	109.5°
H15	C3	H16	109.5°	109.5°
H17	C9	H18	109.5°	109.5°
H19	N2	H20	109.5°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	S	N	178.0°	179.6°
C	C1	S	C10	177.7°	179.8°
C	C1	N	C2	177.4°	179.9°
C1	C	H12	H13	120.0°	120.1°
C1	C	H12	H14	120.0°	120.0°
C1	C	H13	H14	120.0°	120.0°
S	C1	N	C2	0.4°	0.5°
C1	S	C10	C2	0.0°	0.0°
C1	S	C10	H11	180.0°	179.7°
S	C1	C	H12	0.0°	90.5°
S	C1	C	H13	120.0°	29.6°
S	C1	C	H14	120.0°	149.5°
C10	S	C1	N	0.2°	0.2°
S	C10	C2	N	0.2°	0.3°
S	C10	C2	H11	180.0°	179.7°
S	C10	C2	C3	177.9°	179.8°
C1	N	C2	C10	0.4°	0.5°
C1	N	C2	C3	178.3°	179.6°
N	C1	C	H12	177.7°	90.0°
N	C1	C	H13	62.3°	150.0°
N	C1	C	H14	57.7°	30.0°
N	C2	C10	C3	177.7°	179.9°
N	C2	C3	N1	157.8°	85.0°
N	C2	C10	H11	179.8°	180.0°
N	C2	C3	H15	35.9°	154.9°
N	C2	C3	H16	80.3°	35.0°
C10	C2	C3	N1	24.6°	95.0°
C10	C2	C3	H15	146.6°	25.0°
C10	C2	C3	H16	97.3°	145.0°
C2	C3	N1	H15	121.9°	120.0°
C2	C3	N1	H16	121.9°	120.0°
C2	C3	N1	C4	28.3°	65.8°
C2	C3	N1	C9	110.1°	170.0°
C3	C2	C10	H11	2.1°	0.1°
C2	C3	H15	H16	113.6°	119.9°
C3	N1	C4	C5	111.6°	174.2°
C3	N1	C4	C9	137.1°	124.1°
C3	N1	C9	C8	178.3°	174.2°
C3	N1	C4	H2	7.3°	54.2°
C3	N1	C4	H3	129.5°	65.8°
N1	C3	H15	H16	113.6°	120.1°
C3	N1	C9	H17	58.5°	65.9°
C3	N1	C9	H18	61.8°	54.2°
C4	C5	C6	H4	119.3°	120.0°
C4	C5	C6	H5	119.3°	119.9°
C5	C4	N1	H2	118.9°	120.0°
C5	C4	N1	H3	118.9°	120.0°
C5	C4	N1	C9	25.5°	61.7°
C4	C5	C6	C7	67.8°	177.6°
C4	C5	C6	C8	58.2°	57.7°
C5	C4	H2	H3	123.3°	120.0°
C4	C5	H4	H5	121.9°	120.1°
C4	C5	C6	H6	177.9°	62.3°
C6	C5	C4	N1	73.9°	59.2°
C5	C6	C8	C9	10.4°	57.7°
C5	C6	C7	C8	125.3°	119.7°
C5	C6	C7	H6	114.4°	120.1°
C5	C6	C8	H6	119.6°	120.0°
C5	C6	C7	N2	59.5°	175.0°
C6	C5	C4	H2	167.3°	179.2°
C6	C5	C4	H3	45.0°	60.8°
C6	C5	H4	H5	121.9°	120.1°
C5	C6	C7	H7	179.9°	65.0°
C5	C6	C7	H8	60.9°	55.0°
C5	C6	C8	H9	129.8°	62.3°
C5	C6	C8	H10	109.0°	177.6°
C4	N1	C9	C8	41.4°	61.8°
N1	C4	H2	H3	123.2°	120.0°
N1	C4	C5	H4	166.8°	60.8°
N1	C4	C5	H5	45.4°	179.1°
C4	N1	C3	H15	150.3°	174.2°
C4	N1	C3	H16	93.6°	54.2°
C4	N1	C9	H17	78.4°	58.2°
C4	N1	C9	H18	161.3°	178.3°
N1	C9	C8	H17	119.9°	120.0°
N1	C9	C8	H18	119.8°	120.0°
N1	C9	C8	C6	56.6°	59.2°
C9	N1	C4	H2	144.4°	178.2°
C9	N1	C4	H3	93.4°	58.2°
N1	C9	C8	H9	176.0°	60.8°
N1	C9	C8	H10	62.8°	179.1°
C9	N1	C3	H15	11.8°	50.0°
C9	N1	C3	H16	127.9°	70.0°
N1	C9	H17	H18	120.4°	120.0°
C9	C8	C6	C7	130.7°	177.6°
C9	C8	C6	H9	119.4°	120.0°
C9	C8	C6	H10	119.4°	119.9°
C9	C8	C6	H6	109.2°	62.3°
C9	C8	H9	H10	121.7°	120.1°
C8	C9	H17	H18	120.5°	120.0°
C7	C6	C8	H6	120.1°	120.1°
C6	C7	N2	H7	120.4°	120.0°
C6	C7	N2	H8	120.4°	120.0°
C7	C6	C5	H4	51.6°	57.6°
C7	C6	C5	H5	172.9°	62.5°
C6	C7	H7	H8	118.7°	120.0°
C7	C6	C8	H9	109.9°	57.6°
C7	C6	C8	H10	11.2°	62.5°
C6	C7	N2	H19	180.0°	180.0°
C6	C7	N2	H20	60.0°	56.0°
C8	C6	C7	N2	175.2°	65.3°
C8	C6	C5	H4	177.6°	62.3°
C8	C6	C5	H5	61.1°	177.6°
C8	C6	C7	H7	54.7°	54.7°
C8	C6	C7	H8	64.4°	174.7°
C6	C8	H9	H10	121.7°	120.1°
C6	C8	C9	H17	63.2°	60.8°
C6	C8	C9	H18	176.5°	179.2°
N2	C7	C6	H6	54.9°	54.8°
N2	C7	H7	H8	118.7°	120.0°
C7	N2	H19	H20	120.0°	124.0°
H2	C4	C5	H4	47.9°	59.2°
H2	C4	C5	H5	73.4°	60.9°
H3	C4	C5	H4	74.4°	179.2°
H3	C4	C5	H5	164.3°	59.1°
H4	C5	C6	H6	62.8°	177.7°
H5	C5	C6	H6	58.6°	57.6°
H6	C6	C7	H7	65.5°	174.9°
H6	C6	C7	H8	175.4°	65.2°
H6	C6	C8	H9	10.3°	177.7°
H6	C6	C8	H10	131.4°	57.6°
H7	C7	N2	H19	59.6°	59.9°
H7	C7	N2	H20	179.6°	176.1°
H8	C7	N2	H19	59.6°	60.0°
H8	C7	N2	H20	60.4°	64.0°
H9	C8	C9	H17	56.2°	179.2°
H9	C8	C9	H18	64.1°	59.2°
H10	C8	C9	H17	177.3°	59.2°
H10	C8	C9	H18	57.0°	60.9°
H12	C	H13	H14	120.0°	119.9°

Release date:	2020-10-28
Definition date:	2020-02-28
Last modified:	2020-10-23
Release status:	REL
Processing site:	RCSB
Derived from:	5R5X