JM1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F29	C20	sing	1.35Å	1.45Å
C20	C19	doub	1.40Å	1.38Å	Aromatic
C20	C21	sing	1.36Å	1.40Å	Aromatic
C21	C29	doub	1.41Å	1.39Å	Aromatic
C21	H21	sing	0.93Å	1.08Å
C29	C12	sing	1.40Å	1.38Å	Aromatic
C29	C4	sing	1.43Å	1.41Å	Aromatic
C4	C3	doub	1.41Å	1.40Å	Aromatic
C4	C8	sing	1.49Å	1.41Å
C8	O9	doub	1.22Å	1.23Å
C8	N7	sing	1.39Å	1.38Å
N7	C5	sing	1.38Å	1.38Å
N7	HN7	sing	0.88Å	1.00Å
C5	C3	sing	1.49Å	1.40Å
C5	O6	doub	1.22Å	1.18Å
C19	N18	sing	1.32Å	1.35Å	Aromatic
C19	H19	sing	0.94Å	1.08Å
N18	RU12	sing	2.31Å	2.05Å
N18	C12	doub	1.36Å	1.39Å	Aromatic
RU12	C15	sing	2.18Å	2.15Å
RU12	C14	sing	2.18Å	2.13Å
RU12	C16	sing	2.19Å	2.15Å
RU12	C13	sing	2.17Å	2.12Å
RU12	C17	sing	2.18Å	2.15Å
RU12	C11	sing	1.85Å	1.99Å
RU12	N22	sing	2.17Å	2.07Å
C11	O10	trip	1.22Å	1.08Å
C17	C16	sing	1.41Å	1.39Å	Aromatic
C17	C13	sing	1.41Å	1.40Å	Aromatic
C17	H17	sing	0.94Å	1.10Å
C16	C15	doub	1.41Å	1.40Å	Aromatic
C16	H16	sing	0.94Å	1.10Å
C15	C14	sing	1.41Å	1.38Å	Aromatic
C15	H15	sing	0.94Å	1.10Å
C14	C13	doub	1.41Å	1.40Å	Aromatic
C14	H14	sing	0.94Å	1.10Å
C13	H13	sing	0.94Å	1.10Å
N22	C31	sing	1.37Å	1.37Å	Aromatic
N22	C23	sing	1.40Å	1.43Å	Aromatic
C31	C12	sing	1.41Å	1.37Å	Aromatic
C31	C30	doub	1.38Å	1.39Å	Aromatic
C30	C24	sing	1.45Å	1.41Å	Aromatic
C30	C3	sing	1.40Å	1.42Å	Aromatic
C24	C23	sing	1.42Å	1.42Å	Aromatic
C24	C25	doub	1.40Å	1.41Å	Aromatic
C23	C28	doub	1.39Å	1.39Å	Aromatic
C28	C27	sing	1.38Å	1.38Å	Aromatic
C28	H28	sing	0.94Å	1.08Å
C27	C26	doub	1.41Å	1.39Å	Aromatic
C27	H27	sing	0.94Å	1.08Å
C26	C25	sing	1.39Å	1.40Å	Aromatic
C26	H26	sing	0.94Å	1.08Å
C25	H25	sing	0.93Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F29	C20	C19	116.3°	119.2°
F29	C20	C21	117.7°	121.2°
C19	C20	C21	125.9°	119.5°
C20	C19	N18	117.9°	122.5°
C20	C19	H19	121.0°	119.0°
C20	C21	C29	116.0°	119.5°
C20	C21	H21	122.0°	120.6°
C29	C21	H21	122.0°	119.9°
C21	C29	C12	116.9°	117.4°
C21	C29	C4	125.5°	125.0°
C12	C29	C4	117.6°	117.6°
C29	C12	N18	126.1°	122.5°
C29	C12	C31	118.9°	119.8°
C29	C4	C3	122.0°	120.8°
C29	C4	C8	130.1°	131.8°
C3	C4	C8	107.9°	107.4°
C4	C3	C5	103.9°	107.0°
C4	C3	C30	120.7°	120.8°
C4	C8	O9	126.1°	129.0°
C4	C8	N7	110.5°	106.8°
O9	C8	N7	123.0°	124.2°
C8	N7	C5	104.3°	111.8°
C8	N7	HN7	127.9°	123.7°
C5	N7	HN7	127.9°	124.5°
N7	C5	C3	113.3°	107.0°
N7	C5	O6	121.9°	124.0°
C3	C5	O6	124.8°	129.0°
C5	C3	C30	135.2°	132.2°
N18	C19	H19	121.0°	118.5°
C19	N18	RU12	127.7°	131.6°
C19	N18	C12	117.1°	118.5°
RU12	N18	C12	115.1°	109.5°
N18	RU12	C15	106.2°	134.8°
N18	RU12	C14	142.0°	155.7°
N18	RU12	C16	95.6°	99.9°
N18	RU12	C13	156.9°	120.3°
N18	RU12	C17	118.9°	92.7°
N18	RU12	C11	98.2°	93.0°
N18	RU12	N22	78.3°	77.8°
N18	C12	C31	114.9°	117.7°
C15	RU12	C14	37.6°	37.8°
C15	RU12	C16	38.0°	37.7°
C15	RU12	C13	63.9°	63.1°
C15	RU12	C17	63.9°	63.0°
C15	RU12	C11	104.1°	95.0°
C15	RU12	N22	159.1°	146.1°
RU12	C15	C16	71.1°	71.4°
RU12	C15	C14	70.3°	70.9°
RU12	C15	H15	112.1°	123.6°
C14	RU12	C16	63.0°	63.1°
C14	RU12	C13	38.4°	37.8°
C14	RU12	C17	63.8°	63.1°
C14	RU12	C11	85.1°	109.7°
C14	RU12	N22	139.4°	109.1°
RU12	C14	C15	72.1°	71.3°
RU12	C14	C13	70.3°	70.9°
RU12	C14	H14	111.8°	123.0°
C16	RU12	C13	63.4°	63.1°
C16	RU12	C17	37.8°	37.6°
C16	RU12	C11	142.1°	115.4°
C16	RU12	N22	122.2°	152.8°
RU12	C16	C17	71.2°	71.0°
RU12	C16	C15	70.9°	70.9°
RU12	C16	H16	111.5°	123.6°
C13	RU12	C17	38.3°	37.8°
C13	RU12	C11	104.5°	146.7°
C13	RU12	N22	103.9°	94.3°
RU12	C13	C17	72.4°	71.5°
RU12	C13	C14	71.3°	71.3°
RU12	C13	H13	112.5°	123.2°
C17	RU12	C11	142.7°	153.1°
C17	RU12	N22	95.8°	115.2°
RU12	C17	C16	71.0°	71.4°
RU12	C17	C13	69.4°	70.7°
RU12	C17	H17	112.2°	123.4°
C11	RU12	N22	95.2°	91.8°
RU12	C11	O10	173.9°	179.9°
RU12	N22	C31	113.6°	110.3°
RU12	N22	C23	144.1°	142.9°
C16	C17	C13	106.7°	108.0°
C16	C17	H17	125.8°	126.0°
C17	C16	C15	109.3°	108.0°
C17	C16	H16	124.5°	126.1°
C13	C17	H17	125.6°	126.0°
C17	C13	C14	108.1°	108.1°
C17	C13	H13	125.3°	125.9°
C15	C16	H16	124.3°	126.0°
C16	C15	C14	107.0°	108.0°
C16	C15	H15	125.3°	125.9°
C14	C15	H15	125.9°	126.0°
C15	C14	C13	108.9°	107.9°
C15	C14	H14	124.9°	126.0°
C13	C14	H14	124.5°	126.0°
C14	C13	H13	125.5°	126.0°
C31	N22	C23	102.0°	106.2°
N22	C31	C12	117.8°	124.0°
N22	C31	C30	115.3°	112.9°
N22	C23	C24	111.0°	108.9°
N22	C23	C28	127.8°	129.5°
C12	C31	C30	126.7°	123.2°
C31	C30	C24	105.1°	105.4°
C31	C30	C3	113.9°	117.8°
C24	C30	C3	141.0°	136.8°
C30	C24	C23	106.5°	106.6°
C30	C24	C25	133.1°	133.9°
C23	C24	C25	120.4°	119.5°
C24	C23	C28	121.2°	121.5°
C24	C25	C26	118.3°	118.8°
C24	C25	H25	120.8°	120.8°
C23	C28	C27	116.7°	117.9°
C23	C28	H28	121.6°	120.8°
C27	C28	H28	121.6°	121.3°
C28	C27	C26	124.4°	121.5°
C28	C27	H27	117.8°	119.1°
C26	C27	H27	117.8°	119.4°
C27	C26	C25	118.9°	120.7°
C27	C26	H26	120.6°	119.6°
C25	C26	H26	120.6°	119.8°
C26	C25	H25	120.9°	120.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F29	C20	C19	C21	178.5°	180.0°
F29	C20	C21	C29	178.9°	180.0°
F29	C20	C21	H21	1.1°	0.1°
F29	C20	C19	N18	178.0°	179.8°
F29	C20	C19	H19	2.0°	0.1°
C19	C20	C21	C29	0.4°	0.0°
C19	C20	C21	H21	179.5°	179.9°
C20	C19	N18	H19	180.0°	179.7°
C20	C19	N18	RU12	177.2°	172.0°
C20	C19	N18	C12	0.4°	0.3°
C20	C21	C29	H21	180.0°	179.9°
C20	C21	C29	C12	1.3°	0.0°
C20	C21	C29	C4	179.8°	179.9°
C21	C20	C19	N18	0.4°	0.2°
C21	C20	C19	H19	179.6°	179.9°
C21	C29	C12	C4	178.6°	179.9°
C21	C29	C4	C3	178.7°	180.0°
C21	C29	C4	C8	0.1°	0.1°
C21	C29	C12	N18	1.5°	0.2°
C21	C29	C12	C31	178.4°	180.0°
H21	C21	C29	C12	178.7°	179.9°
H21	C21	C29	C4	0.2°	0.0°
C12	C29	C4	C3	0.2°	0.1°
C12	C29	C4	C8	178.5°	180.0°
C29	C12	N18	C19	0.6°	0.3°
C29	C12	N18	RU12	178.4°	173.6°
C29	C12	N18	C31	179.8°	179.9°
C29	C12	C31	N22	177.9°	179.8°
C29	C12	C31	C30	2.0°	0.0°
C29	C4	C3	C8	179.0°	179.9°
C29	C4	C8	O9	4.4°	0.2°
C29	C4	C8	N7	176.9°	179.8°
C29	C4	C3	C5	175.9°	179.9°
C4	C29	C12	N18	179.9°	179.9°
C4	C29	C12	C31	0.2°	0.1°
C29	C4	C3	C30	0.8°	0.0°
C3	C4	C8	O9	174.5°	179.9°
C3	C4	C8	N7	2.0°	0.1°
C4	C3	C5	N7	3.3°	0.1°
C4	C3	C5	C30	176.0°	179.9°
C4	C3	C5	O6	178.1°	180.0°
C4	C3	C30	C31	2.2°	0.1°
C4	C3	C30	C24	179.4°	179.9°
C4	C8	O9	N7	171.6°	180.0°
C4	C8	N7	C5	0.0°	0.2°
C4	C8	N7	HN7	180.0°	179.7°
C8	C4	C3	C5	3.1°	0.0°
C8	C4	C3	C30	179.8°	179.9°
O9	C8	N7	C5	172.7°	179.8°
O9	C8	N7	HN7	7.3°	0.3°
C8	N7	C5	HN7	180.0°	179.9°
C8	N7	C5	C3	2.1°	0.2°
C8	N7	C5	O6	179.3°	179.9°
N7	C5	C3	O6	178.6°	179.9°
N7	C5	C3	C30	179.3°	179.8°
HN7	N7	C5	C3	177.9°	179.7°
HN7	N7	C5	O6	0.7°	0.2°
C5	C3	C30	C31	173.3°	180.0°
C5	C3	C30	C24	3.8°	0.2°
O6	C5	C3	C30	2.1°	0.2°
C19	N18	RU12	C12	177.6°	172.8°
C19	N18	RU12	C15	21.6°	11.2°
C19	N18	RU12	C14	6.7°	70.7°
C19	N18	RU12	C16	58.8°	27.7°
C19	N18	RU12	C13	82.5°	92.2°
C19	N18	RU12	C17	90.3°	64.9°
C19	N18	RU12	C11	85.8°	88.8°
C19	N18	RU12	N22	179.5°	180.0°
C19	N18	C12	C31	179.3°	179.8°
H19	C19	N18	RU12	2.8°	7.8°
H19	C19	N18	C12	179.6°	180.0°
N18	RU12	C15	C14	165.0°	144.6°
N18	RU12	C15	C16	78.1°	27.1°
N18	RU12	C15	C13	157.5°	107.1°
N18	RU12	C15	C17	114.7°	64.5°
N18	RU12	C15	C11	103.0°	99.2°
N18	RU12	C15	N22	99.9°	160.1°
N18	RU12	C14	C16	61.8°	48.9°
N18	RU12	C14	C13	142.2°	31.1°
N18	RU12	C14	C17	104.2°	6.5°
N18	RU12	C14	C11	97.0°	158.1°
N18	RU12	C14	N22	170.6°	102.7°
N18	RU12	C16	C13	169.8°	119.0°
N18	RU12	C16	C17	131.7°	81.5°
N18	RU12	C16	C11	111.0°	98.2°
N18	RU12	C16	N22	79.8°	82.4°
N18	RU12	C13	C17	11.0°	48.4°
N18	RU12	C13	C11	168.1°	178.3°
N18	RU12	C13	N22	92.7°	78.4°
N18	RU12	C17	C11	173.6°	102.1°
N18	RU12	C17	N22	79.9°	77.7°
N18	RU12	C11	N22	78.9°	77.8°
N18	RU12	C11	O10	5.1°	151.1°
N18	RU12	C17	H17	63.7°	18.7°
N18	RU12	C16	H16	11.1°	39.7°
N18	RU12	C15	H15	43.2°	94.2°
N18	RU12	C14	H14	97.5°	152.3°
N18	RU12	C13	H13	132.6°	73.0°
N18	RU12	N22	C31	4.0°	7.0°
N18	RU12	N22	C23	176.0°	176.5°
RU12	N18	C12	C31	1.4°	6.3°
C12	N18	RU12	C15	156.0°	161.6°
C12	N18	RU12	C14	170.9°	102.2°
C12	N18	RU12	C16	118.8°	145.1°
C12	N18	RU12	C13	95.0°	80.6°
C12	N18	RU12	C17	87.3°	107.9°
C12	N18	RU12	C11	96.6°	98.4°
C12	N18	RU12	N22	2.9°	7.2°
N18	C12	C31	N22	2.2°	0.1°
N18	C12	C31	C30	178.2°	179.8°
C15	RU12	C14	C16	38.1°	37.4°
C15	RU12	C14	C13	118.5°	117.4°
C15	RU12	C14	C17	80.5°	79.8°
C15	RU12	C14	C11	120.7°	71.8°
C15	RU12	C14	N22	146.9°	170.9°
C15	RU12	C16	C13	81.0°	80.2°
C15	RU12	C16	C17	119.1°	117.7°
C15	RU12	C16	C11	1.8°	62.6°
C15	RU12	C16	N22	171.0°	116.8°
C15	RU12	C13	C17	80.2°	79.8°
C15	RU12	C13	C11	98.8°	53.5°
C15	RU12	C13	N22	161.9°	153.4°
C15	RU12	C17	C11	78.7°	38.0°
C15	RU12	C17	N22	174.7°	142.2°
C15	RU12	C11	N22	172.0°	146.7°
C15	RU12	C11	O10	104.0°	15.7°
C15	RU12	C17	H17	158.6°	158.8°
RU12	C15	C16	H15	104.1°	118.5°
C15	RU12	C16	H16	120.3°	121.1°
RU12	C15	C14	H15	103.5°	118.2°
C15	RU12	C14	H14	121.2°	121.4°
C15	RU12	C13	H13	158.2°	158.8°
C15	RU12	N22	C31	100.9°	158.7°
C15	RU12	N22	C23	71.1°	10.8°
C14	RU12	C16	C13	43.3°	42.6°
C14	RU12	C16	C17	81.4°	80.1°
C14	RU12	C16	C11	35.9°	100.2°
C14	RU12	C16	N22	133.3°	79.3°
C14	RU12	C13	C17	116.9°	117.3°
C14	RU12	C13	C11	62.2°	16.0°
C14	RU12	C13	N22	161.4°	115.9°
C14	RU12	C17	C11	36.6°	80.6°
C14	RU12	C17	N22	143.2°	99.6°
C14	RU12	C11	N22	139.2°	111.0°
C14	RU12	C11	O10	136.8°	20.1°
C14	RU12	C17	H17	159.3°	158.6°
C14	RU12	C16	H16	158.0°	158.7°
RU12	C14	C13	H14	103.5°	117.5°
C14	RU12	C13	H13	121.5°	121.3°
C14	RU12	N22	C31	170.1°	148.8°
C14	RU12	N22	C23	1.9°	20.8°
C16	RU12	C13	C17	37.6°	37.4°
C16	RU12	C13	C11	141.4°	96.0°
C16	RU12	C13	N22	119.3°	164.1°
C16	RU12	C17	C11	115.5°	0.6°
C16	RU12	C17	N22	137.9°	179.6°
C16	RU12	C11	N22	170.8°	179.7°
C16	RU12	C11	O10	105.2°	48.7°
RU12	C16	C17	H16	103.6°	118.3°
C16	RU12	C17	H17	121.8°	121.4°
C16	RU12	C14	H14	159.3°	158.8°
C16	RU12	C13	H13	159.2°	158.7°
C16	RU12	N22	C31	85.3°	80.8°
C16	RU12	N22	C23	86.7°	88.7°
C13	RU12	C17	C11	1.5°	118.2°
C13	RU12	C17	N22	105.1°	62.0°
C13	RU12	C11	N22	105.8°	100.7°
C13	RU12	C11	O10	170.2°	30.4°
RU12	C13	C17	H13	105.5°	118.0°
C13	RU12	C17	H17	121.2°	121.0°
C13	RU12	C16	H16	158.7°	158.7°
C13	RU12	C15	H15	159.2°	158.7°
C13	RU12	N22	C31	152.4°	113.1°
C13	RU12	N22	C23	19.6°	56.5°
C17	RU12	C11	N22	106.7°	179.9°
C17	RU12	C11	O10	169.3°	49.1°
C17	RU12	C15	H15	157.9°	158.7°
C17	RU12	C14	H14	158.3°	158.8°
C17	RU12	N22	C31	114.3°	80.2°
C17	RU12	N22	C23	57.7°	89.3°
C11	RU12	C17	H17	122.7°	120.8°
C11	RU12	C16	H16	122.2°	58.5°
C11	RU12	C15	H15	59.8°	5.1°
C11	RU12	C14	H14	0.5°	49.6°
C11	RU12	C13	H13	59.3°	105.3°
C11	RU12	N22	C31	101.3°	99.7°
C11	RU12	N22	C23	86.7°	90.8°
N22	RU12	C11	O10	84.0°	131.1°
N22	RU12	C17	H17	16.1°	59.0°
N22	RU12	C16	H16	68.6°	122.1°
N22	RU12	C15	H15	143.1°	105.7°
N22	RU12	C14	H14	91.9°	49.6°
N22	RU12	C13	H13	39.9°	5.4°
RU12	N22	C31	C23	175.2°	173.4°
RU12	N22	C31	C12	4.7°	6.6°
RU12	N22	C31	C30	178.9°	173.2°
RU12	N22	C23	C24	175.6°	169.6°
RU12	N22	C23	C28	7.4°	10.4°
C16	C17	C13	H17	164.8°	179.9°
C17	C16	C15	H16	164.7°	179.9°
C17	C16	C15	C14	0.3°	0.2°
C17	C16	C15	H15	165.3°	179.9°
C16	C17	C13	C14	1.1°	0.2°
C16	C17	C13	H13	167.0°	179.9°
C13	C17	C16	C15	0.5°	0.0°
C13	C17	C16	H16	164.1°	179.9°
C17	C13	C14	C15	1.3°	0.3°
C17	C13	C14	H13	168.1°	179.7°
C17	C13	C14	H14	166.9°	179.9°
H17	C17	C16	C15	165.2°	179.9°
H17	C17	C16	H16	0.6°	0.0°
H17	C17	C13	C14	165.9°	180.0°
H17	C17	C13	H13	2.3°	0.2°
C16	C15	C14	H15	165.5°	179.7°
C16	C15	C14	C13	0.9°	0.3°
C16	C15	C14	H14	166.5°	179.9°
H16	C16	C15	C14	164.9°	179.9°
H16	C16	C15	H15	0.6°	0.3°
C15	C14	C13	H14	165.6°	179.6°
C15	C14	C13	H13	166.8°	180.0°
H15	C15	C14	C13	164.5°	180.0°
H15	C15	C14	H14	1.0°	0.4°
H14	C14	C13	H13	1.2°	0.4°
N22	C31	C12	C30	176.0°	179.7°
N22	C31	C30	C24	2.9°	0.2°
N22	C31	C30	C3	178.9°	179.9°
C31	N22	C23	C24	3.0°	0.2°
C31	N22	C23	C28	179.9°	179.9°
C23	N22	C31	C12	179.9°	180.0°
C23	N22	C31	C30	3.7°	0.3°
N22	C23	C24	C30	1.5°	0.0°
N22	C23	C24	C28	177.3°	179.9°
N22	C23	C24	C25	177.4°	179.9°
N22	C23	C28	C27	178.2°	180.0°
N22	C23	C28	H28	1.8°	0.1°
C12	C31	C30	C24	179.0°	180.0°
C12	C31	C30	C3	2.9°	0.1°
C31	C30	C24	C3	177.3°	179.8°
C31	C30	C24	C23	0.7°	0.1°
C31	C30	C24	C25	179.4°	179.9°
C30	C24	C23	C25	178.9°	180.0°
C30	C24	C23	C28	178.7°	180.0°
C30	C24	C25	C26	177.9°	180.0°
C30	C24	C25	H25	2.1°	0.0°
C3	C30	C24	C23	178.0°	179.9°
C3	C30	C24	C25	3.3°	0.1°
C24	C23	C28	C27	1.4°	0.0°
C24	C23	C28	H28	178.6°	180.0°
C23	C24	C25	C26	0.6°	0.0°
C23	C24	C25	H25	179.4°	180.0°
C25	C24	C23	C28	0.1°	0.0°
C24	C25	C26	C27	2.4°	0.0°
C24	C25	C26	H25	180.0°	179.9°
C24	C25	C26	H26	177.6°	180.0°
C23	C28	C27	H28	180.0°	180.0°
C23	C28	C27	C26	3.4°	0.0°
C23	C28	C27	H27	176.5°	180.0°
C28	C27	C26	H27	180.0°	180.0°
C28	C27	C26	C25	4.0°	0.0°
C28	C27	C26	H26	176.0°	180.0°
H28	C28	C27	C26	176.6°	180.0°
H28	C28	C27	H27	3.4°	0.1°
C27	C26	C25	H26	180.0°	180.0°
C27	C26	C25	H25	177.6°	180.0°
H27	C27	C26	C25	176.0°	180.0°
H27	C27	C26	H26	4.0°	0.0°
H26	C26	C25	H25	2.4°	0.0°

Definition date:	2007-01-17
Last modified:	2026-09-01
Release status:	REL
Processing site:	RCSB