9TG

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O18	C17	doub	1.21Å	1.20Å
C19	C17	sing	1.51Å	1.52Å
C19	C20	sing	1.51Å	1.51Å
C17	N6	sing	1.35Å	1.35Å
S24	C20	sing	1.76Å	1.73Å	Aromatic
S24	C23	sing	1.76Å	1.74Å	Aromatic
C20	C21	doub	1.33Å	1.39Å	Aromatic
N6	C12	sing	1.46Å	1.49Å
C12	B13	sing	1.57Å	1.66Å
C12	C1	sing	1.53Å	1.56Å
C23	C22	doub	1.33Å	1.39Å	Aromatic
C21	C22	sing	1.38Å	1.41Å	Aromatic
B13	O15	sing	1.42Å	1.54Å
B13	O14	sing	1.42Å	1.53Å
C1	C3	sing	1.51Å	1.52Å
C8	C3	doub	1.38Å	1.40Å	Aromatic
C8	C7	sing	1.38Å	1.40Å	Aromatic
C3	C4	sing	1.38Å	1.40Å	Aromatic
C7	C6	doub	1.38Å	1.41Å	Aromatic
C4	C5	doub	1.40Å	1.40Å	Aromatic
C6	C5	sing	1.40Å	1.40Å	Aromatic
C5	C9	sing	1.48Å	1.53Å
C9	O11	doub	1.21Å	1.26Å
C9	O10	sing	1.35Å	1.24Å
C6	H1	sing	1.08Å	1.08Å
C4	H2	sing	1.08Å	1.08Å
C1	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.08Å	1.08Å
C8	H6	sing	1.08Å	1.08Å
O10	H7	sing	0.97Å	0.95Å
C12	H8	sing	1.09Å	1.10Å
O14	H9	sing	0.97Å	0.95Å
O15	H10	sing	0.97Å	0.95Å
C19	H11	sing	1.09Å	1.10Å
C19	H12	sing	1.09Å	1.10Å
C21	H13	sing	1.08Å	1.08Å
C22	H14	sing	1.08Å	1.08Å
C23	H15	sing	1.08Å	1.08Å
N6	H16	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O18	C17	C19	116.7°	120.0°
O18	C17	N6	122.8°	120.0°
C17	C19	C20	106.3°	109.4°
C19	C17	N6	120.4°	120.0°
C17	C19	H11	110.3°	109.5°
C17	C19	H12	110.3°	109.5°
C19	C20	S24	115.2°	125.2°
C19	C20	C21	133.5°	125.2°
C20	C19	H11	110.3°	109.4°
C20	C19	H12	110.3°	109.5°
C17	N6	C12	126.4°	120.0°
C17	N6	H16	116.8°	120.0°
C20	S24	C23	91.9°	91.0°
S24	C20	C21	111.2°	109.6°
S24	C23	C22	110.9°	109.6°
S24	C23	H15	124.6°	125.2°
C20	C21	C22	113.0°	114.9°
C20	C21	H13	123.6°	122.6°
N6	C12	B13	111.8°	109.4°
N6	C12	C1	110.4°	109.5°
N6	C12	H8	106.8°	109.5°
C12	N6	H16	116.8°	120.1°
B13	C12	C1	115.9°	109.5°
C12	B13	O15	111.6°	120.0°
C12	B13	O14	114.3°	120.0°
B13	C12	H8	105.1°	109.5°
C12	C1	C3	114.2°	109.5°
C12	C1	H3	108.3°	109.5°
C12	C1	H4	108.2°	109.5°
C1	C12	H8	106.1°	109.5°
C23	C22	C21	113.0°	114.9°
C23	C22	H14	123.5°	122.6°
C22	C23	H15	124.5°	125.2°
C22	C21	H13	123.5°	122.5°
C21	C22	H14	123.5°	122.5°
O15	B13	O14	104.9°	120.0°
B13	O15	H10	109.5°	114.0°
B13	O14	H9	109.5°	114.0°
C1	C3	C8	120.6°	119.9°
C1	C3	C4	120.2°	119.9°
C3	C1	H3	108.2°	109.5°
C3	C1	H4	108.3°	109.4°
C3	C8	C7	120.0°	120.3°
C8	C3	C4	119.1°	120.1°
C3	C8	H6	120.0°	119.8°
C8	C7	C6	120.1°	120.1°
C8	C7	H5	120.0°	120.0°
C7	C8	H6	120.0°	119.8°
C3	C4	C5	122.4°	119.8°
C3	C4	H2	118.8°	120.1°
C7	C6	C5	120.7°	119.8°
C7	C6	H1	119.7°	120.0°
C6	C7	H5	120.0°	119.9°
C4	C5	C6	117.7°	119.7°
C4	C5	C9	120.5°	120.1°
C5	C4	H2	118.8°	120.1°
C6	C5	C9	121.8°	120.2°
C5	C6	H1	119.6°	120.1°
C5	C9	O11	122.3°	120.1°
C5	C9	O10	119.7°	120.0°
O11	C9	O10	118.0°	120.0°
C9	O10	H7	109.5°	116.9°
H3	C1	H4	109.5°	109.4°
H11	C19	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O18	C17	C19	N6	178.4°	180.0°
O18	C17	C19	C20	101.3°	0.0°
O18	C17	N6	C12	4.6°	0.0°
O18	C17	C19	H11	18.2°	119.9°
O18	C17	C19	H12	139.2°	120.0°
O18	C17	N6	H16	175.4°	180.0°
C17	C19	C20	H11	119.5°	120.0°
C17	C19	C20	H12	119.5°	120.0°
C17	C19	C20	S24	90.7°	90.3°
C17	C19	C20	C21	86.3°	90.1°
C19	C17	N6	C12	177.1°	180.0°
C17	C19	H11	H12	121.5°	120.1°
C19	C17	N6	H16	2.9°	0.1°
C20	C19	C17	N6	77.1°	180.0°
C19	C20	S24	C21	177.6°	179.7°
C19	C20	S24	C23	178.1°	180.0°
C19	C20	C21	C22	177.4°	180.0°
C20	C19	H11	H12	121.5°	120.0°
C19	C20	C21	H13	2.6°	0.1°
C17	N6	C12	H16	180.0°	180.0°
C17	N6	C12	B13	148.3°	105.0°
C17	N6	C12	C1	81.0°	135.0°
C17	N6	C12	H8	33.9°	15.0°
N6	C17	C19	H11	163.4°	60.0°
N6	C17	C19	H12	42.4°	60.0°
C20	S24	C23	C22	0.5°	0.3°
S24	C20	C21	C22	0.3°	0.3°
S24	C20	C19	H11	28.8°	149.7°
S24	C20	C19	H12	149.8°	29.7°
S24	C20	C21	H13	179.7°	179.8°
C20	S24	C23	H15	179.5°	179.9°
C23	S24	C20	C21	0.5°	0.4°
S24	C23	C22	H15	180.0°	179.8°
S24	C23	C22	C21	0.4°	0.3°
S24	C23	C22	H14	179.6°	179.8°
C20	C21	C22	C23	0.1°	0.0°
C20	C21	C22	H13	180.0°	179.9°
C21	C20	C19	H11	154.2°	29.9°
C21	C20	C19	H12	33.2°	149.9°
C20	C21	C22	H14	180.0°	179.9°
N6	C12	B13	C1	127.8°	120.0°
N6	C12	B13	H8	115.5°	120.0°
N6	C12	C1	H8	115.4°	120.0°
N6	C12	B13	O15	32.5°	24.9°
N6	C12	B13	O14	151.4°	155.1°
N6	C12	C1	C3	62.8°	65.2°
N6	C12	C1	H3	176.6°	174.7°
N6	C12	C1	H4	57.9°	54.8°
B13	C12	C1	H8	116.2°	120.0°
C12	B13	O15	O14	124.3°	180.0°
B13	C12	C1	C3	65.7°	174.8°
B13	C12	C1	H3	55.0°	54.7°
B13	C12	C1	H4	173.6°	65.2°
C12	B13	O14	H9	180.0°	180.0°
C12	B13	O15	H10	180.0°	180.0°
B13	C12	N6	H16	31.7°	75.0°
C1	C12	B13	O15	95.3°	144.9°
C1	C12	B13	O14	23.6°	35.1°
C12	C1	C3	H3	120.7°	120.1°
C12	C1	C3	H4	120.7°	120.0°
C12	C1	C3	C8	81.1°	84.3°
C12	C1	C3	C4	99.0°	95.6°
C12	C1	H3	H4	117.8°	120.0°
C1	C12	N6	H16	99.0°	45.0°
C23	C22	C21	H14	180.0°	179.9°
C23	C22	C21	H13	179.9°	179.9°
C21	C22	C23	H15	179.6°	180.0°
O15	B13	C12	H8	148.0°	95.1°
O15	B13	O14	H9	57.4°	0.0°
O14	B13	C12	H8	93.1°	84.9°
O14	B13	O15	H10	55.7°	0.0°
C1	C3	C8	C4	179.8°	179.9°
C1	C3	C8	C7	179.0°	179.8°
C1	C3	C4	C5	178.4°	180.0°
C1	C3	C4	H2	1.6°	0.1°
C3	C1	H3	H4	117.8°	119.9°
C1	C3	C8	H6	1.0°	0.1°
C3	C1	C12	H8	178.1°	54.8°
C3	C8	C7	H6	180.0°	179.8°
C3	C8	C7	C6	0.9°	0.4°
C8	C3	C4	C5	1.8°	0.1°
C8	C3	C4	H2	178.2°	179.9°
C8	C3	C1	H3	158.2°	35.8°
C8	C3	C1	H4	39.5°	155.7°
C3	C8	C7	H5	179.2°	180.0°
C7	C8	C3	C4	1.1°	0.1°
C8	C7	C6	H5	180.0°	179.6°
C8	C7	C6	C5	1.2°	0.5°
C8	C7	C6	H1	178.8°	179.9°
C3	C4	C5	H2	180.0°	180.0°
C3	C4	C5	C6	2.1°	0.0°
C3	C4	C5	C9	179.7°	180.0°
C4	C3	C1	H3	21.7°	144.3°
C4	C3	C1	H4	140.3°	24.4°
C4	C3	C8	H6	178.8°	179.9°
C7	C6	C5	C4	1.7°	0.2°
C7	C6	C5	H1	180.0°	179.7°
C7	C6	C5	C9	179.3°	179.7°
C6	C7	C8	H6	179.1°	179.8°
C4	C5	C6	C9	177.6°	180.0°
C4	C5	C9	O11	23.9°	0.0°
C4	C5	C9	O10	153.0°	180.0°
C4	C5	C6	H1	178.3°	179.9°
C6	C5	C9	O11	158.6°	180.0°
C6	C5	C9	O10	24.5°	0.0°
C6	C5	C4	H2	177.9°	180.0°
C5	C6	C7	H5	178.9°	180.0°
C5	C9	O11	O10	176.9°	180.0°
C9	C5	C6	H1	0.7°	0.1°
C9	C5	C4	H2	0.3°	0.0°
C5	C9	O10	H7	177.0°	180.0°
O11	C9	O10	H7	0.0°	0.0°
H1	C6	C7	H5	1.1°	0.3°
H3	C1	C12	H8	61.2°	65.3°
H4	C1	C12	H8	57.4°	174.8°
H5	C7	C8	H6	0.8°	0.2°
H8	C12	N6	H16	146.2°	165.0°
H13	C21	C22	H14	0.0°	0.0°
H14	C22	C23	H15	0.4°	0.0°

Release date:	2017-11-29
Definition date:	2017-06-07
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	5W12