IMY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N2	sing	1.41Å	1.37Å
C1	N5	doub	1.30Å	1.37Å
C1	C34	sing	1.47Å	1.41Å
N2	C3	sing	1.45Å	1.35Å
N2	C2	sing	1.41Å	11.27Å
C3	C4	sing	1.54Å	1.55Å
C3	C13	sing	1.52Å	1.53Å
C3	H3	sing	1.10Å	1.10Å
C4	N5	sing	1.49Å	1.35Å
C4	C19	sing	1.51Å	1.53Å
C4	H4	sing	1.10Å	1.10Å
C13	C14	sing	1.39Å	1.39Å	Aromatic
C13	C18	doub	1.39Å	1.39Å	Aromatic
C14	C15	doub	1.39Å	1.39Å	Aromatic
C14	H14	sing	1.09Å	1.08Å
C15	C16	sing	1.40Å	1.39Å	Aromatic
C15	H15	sing	1.09Å	1.08Å
C16	C17	doub	1.39Å	1.39Å	Aromatic
C16	CL16	sing	1.72Å	1.75Å
C17	C18	sing	1.40Å	1.39Å	Aromatic
C17	H17	sing	1.09Å	1.08Å
C18	H18	sing	1.09Å	1.08Å
C20	C21	sing	1.40Å	1.39Å	Aromatic
C20	C19	doub	1.40Å	1.39Å	Aromatic
C20	H20	sing	1.09Å	1.08Å
C21	C22	doub	1.39Å	1.39Å	Aromatic
C21	H21	sing	1.09Å	1.08Å
C22	C23	sing	1.39Å	1.39Å	Aromatic
C22	CL22	sing	1.72Å	1.75Å
C23	C24	doub	1.39Å	1.39Å	Aromatic
C23	H23	sing	1.09Å	1.08Å
C24	C19	sing	1.40Å	1.39Å	Aromatic
C24	H24	sing	1.09Å	1.08Å
C28	C29	doub	1.40Å	1.41Å	Aromatic
C28	C27	sing	1.40Å	1.42Å	Aromatic
C28	H28	sing	1.09Å	1.08Å
C29	C34	sing	1.40Å	1.42Å	Aromatic
C29	O3	sing	1.36Å	1.36Å
C34	C25	doub	1.40Å	1.40Å	Aromatic
C25	C26	sing	1.40Å	1.39Å	Aromatic
C25	H25	sing	1.09Å	1.08Å
C26	C27	doub	1.40Å	1.42Å	Aromatic
C26	H26	sing	1.09Å	1.08Å
C27	O2	sing	1.36Å	1.36Å
O3	C31	sing	1.43Å	1.42Å
C31	C32	sing	1.52Å	1.52Å
C31	C33	sing	1.52Å	1.52Å
C31	H31	sing	1.09Å	1.10Å
C32	H321	sing	1.09Å	1.10Å
C32	H322	sing	1.10Å	1.10Å
C32	H323	sing	1.10Å	1.10Å
C33	H331	sing	1.09Å	1.10Å
C33	H332	sing	1.10Å	1.10Å
C33	H333	sing	1.10Å	1.10Å
O2	C30	sing	1.43Å	1.42Å
C30	H30	sing	1.09Å	1.10Å
C30	H301	sing	1.09Å	1.10Å
C30	H302	sing	1.09Å	1.10Å
C2	O1	doub	1.24Å	0.00Å
C2	N1	sing	1.40Å	0.00Å
N1	C5	sing	1.46Å	0.00Å
N1	C8	sing	1.47Å	0.00Å
C5	C6	sing	1.53Å	0.00Å
C5	H51	sing	1.10Å	0.00Å
C5	H52	sing	1.09Å	0.00Å
C6	N3	sing	1.47Å	0.00Å
C6	H61	sing	1.10Å	0.00Å
C6	H62	sing	1.09Å	0.00Å
N3	C7	sing	1.47Å	0.00Å
N3	HN3	sing	1.02Å	0.00Å
C7	C8	sing	1.53Å	0.00Å
C7	H71	sing	1.10Å	0.00Å
C7	H72	sing	1.10Å	0.00Å
C8	H81	sing	1.09Å	0.00Å
C8	H82	sing	1.10Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	C1	N5	110.6°	115.9°
N2	C1	C34	124.8°	122.0°
C1	N2	C3	109.8°	105.6°
C1	N2	C2	136.5°	132.8°
N5	C1	C34	124.6°	122.1°
C1	N5	C4	109.7°	105.1°
C1	C34	C29	120.1°	121.1°
C1	C34	C25	120.0°	119.3°
C3	N2	C2	27.0°	121.1°
N2	C3	C4	104.9°	101.1°
N2	C3	C13	110.7°	113.2°
N2	C3	H3	114.3°	109.2°
N2	C2	O1	90.0°	121.5°
N2	C2	N1	90.0°	115.9°
C4	C3	C13	116.2°	115.7°
C4	C3	H3	108.5°	111.1°
C3	C4	N5	105.0°	104.9°
C3	C4	C19	116.3°	116.2°
C3	C4	H4	108.4°	108.5°
C13	C3	H3	102.5°	106.5°
C3	C13	C14	120.4°	119.7°
C3	C13	C18	120.8°	119.7°
N5	C4	C19	110.7°	115.2°
N5	C4	H4	114.3°	105.9°
C19	C4	H4	102.5°	105.6°
C4	C19	C20	120.4°	120.1°
C4	C19	C24	120.6°	120.0°
C14	C13	C18	118.9°	120.6°
C13	C14	C15	120.7°	119.7°
C13	C14	H14	119.7°	120.8°
C13	C18	C17	120.7°	119.7°
C13	C18	H18	119.7°	120.8°
C15	C14	H14	119.6°	119.5°
C14	C15	C16	119.9°	120.0°
C14	C15	H15	120.0°	119.2°
C16	C15	H15	120.1°	120.8°
C15	C16	C17	120.0°	120.0°
C15	C16	CL16	120.0°	120.0°
C17	C16	CL16	120.0°	120.0°
C16	C17	C18	119.9°	120.0°
C16	C17	H17	120.1°	120.8°
C18	C17	H17	120.0°	119.2°
C17	C18	H18	119.7°	119.5°
C21	C20	C19	120.6°	120.0°
C21	C20	H20	119.7°	119.5°
C20	C21	C22	119.9°	120.0°
C20	C21	H21	120.0°	119.2°
C19	C20	H20	119.7°	120.5°
C20	C19	C24	119.1°	119.9°
C22	C21	H21	120.0°	120.8°
C21	C22	C23	119.9°	120.0°
C21	C22	CL22	120.1°	120.0°
C23	C22	CL22	120.1°	120.0°
C22	C23	C24	119.9°	120.0°
C22	C23	H23	120.0°	120.8°
C24	C23	H23	120.0°	119.1°
C23	C24	C19	120.6°	120.0°
C23	C24	H24	119.7°	119.5°
C19	C24	H24	119.7°	120.5°
C29	C28	C27	119.7°	120.0°
C29	C28	H28	120.2°	120.1°
C28	C29	C34	119.7°	120.2°
C28	C29	O3	120.1°	119.1°
C27	C28	H28	120.1°	120.0°
C28	C27	C26	119.7°	120.0°
C28	C27	O2	120.0°	120.0°
C34	C29	O3	120.3°	120.7°
C29	C34	C25	119.8°	119.6°
C29	O3	C31	110.1°	117.0°
C34	C25	C26	121.1°	120.2°
C34	C25	H25	119.5°	120.5°
C26	C25	H25	119.5°	119.4°
C25	C26	C27	120.0°	120.0°
C25	C26	H26	120.0°	119.6°
C27	C26	H26	120.0°	120.4°
C26	C27	O2	120.2°	120.0°
C27	O2	C30	109.7°	117.1°
O3	C31	C32	110.0°	109.3°
O3	C31	C33	109.6°	109.2°
O3	C31	H31	109.4°	107.4°
C32	C31	C33	110.8°	111.9°
C32	C31	H31	108.2°	109.5°
C31	C32	H321	109.5°	111.3°
C31	C32	H322	109.5°	110.3°
C31	C32	H323	109.4°	111.1°
C33	C31	H31	108.7°	109.4°
C31	C33	H331	109.5°	111.3°
C31	C33	H332	109.5°	110.4°
C31	C33	H333	109.5°	111.1°
H321	C32	H322	109.5°	108.7°
H321	C32	H323	109.5°	108.6°
H322	C32	H323	109.5°	106.7°
H331	C33	H332	109.5°	108.6°
H331	C33	H333	109.4°	108.7°
H332	C33	H333	109.5°	106.6°
O2	C30	H30	109.5°	109.5°
O2	C30	H301	109.4°	109.5°
O2	C30	H302	109.5°	109.0°
H30	C30	H301	109.4°	110.0°
H30	C30	H302	109.5°	109.4°
H301	C30	H302	109.5°	109.4°
O1	C2	N1	90.0°	122.6°
C2	N1	C5	90.0°	120.1°
C2	N1	C8	90.0°	125.0°
C5	N1	C8	90.0°	114.1°
N1	C5	C6	90.0°	110.6°
N1	C5	H51	90.0°	107.2°
N1	C5	H52	90.0°	110.9°
N1	C8	C7	90.0°	110.3°
N1	C8	H81	90.0°	111.5°
N1	C8	H82	90.0°	107.7°
C6	C5	H51	90.0°	110.5°
C6	C5	H52	90.0°	110.2°
C5	C6	N3	90.0°	110.8°
C5	C6	H61	90.0°	110.2°
C5	C6	H62	90.0°	109.4°
H51	C5	H52	90.0°	107.4°
N3	C6	H61	90.0°	109.8°
N3	C6	H62	90.0°	109.1°
C6	N3	C7	90.0°	111.0°
C6	N3	HN3	90.0°	109.3°
H61	C6	H62	90.0°	107.4°
C7	N3	HN3	90.0°	109.4°
N3	C7	C8	90.0°	111.5°
N3	C7	H71	90.0°	109.1°
N3	C7	H72	90.0°	109.6°
C8	C7	H71	90.0°	109.3°
C8	C7	H72	90.0°	110.1°
C7	C8	H81	90.0°	108.3°
C7	C8	H82	90.0°	110.6°
H71	C7	H72	90.0°	107.2°
H81	C8	H82	90.0°	108.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	C1	N5	C34	179.9°	177.2°
C1	N2	C3	C2	172.7°	172.2°
C1	N2	C3	C4	0.1°	24.4°
C1	N2	C3	C13	126.0°	100.0°
C1	N2	C3	H3	118.9°	141.5°
N2	C1	N5	C4	0.1°	3.3°
N2	C1	C34	C29	18.9°	87.1°
N2	C1	C34	C25	161.5°	93.0°
C1	N2	C2	O1	90.0°	150.0°
C1	N2	C2	N1	90.0°	28.6°
N5	C1	N2	C3	0.0°	14.8°
N5	C1	N2	C2	4.8°	174.4°
C1	N5	C4	C3	0.2°	18.9°
C1	N5	C4	C19	126.4°	147.9°
C1	N5	C4	H4	118.5°	95.8°
N5	C1	C34	C29	161.0°	89.9°
N5	C1	C34	C25	18.6°	90.1°
C34	C1	N2	C3	179.9°	162.4°
C34	C1	N2	C2	175.3°	8.5°
C34	C1	N5	C4	179.8°	179.6°
C1	C34	C29	C28	179.5°	180.0°
C1	C34	C29	C25	179.6°	180.0°
C1	C34	C29	O3	0.6°	0.0°
C1	C34	C25	C26	179.6°	180.0°
C1	C34	C25	H25	0.4°	0.0°
N2	C3	C4	C13	122.7°	122.7°
N2	C3	C4	H3	122.5°	115.7°
N2	C3	C13	H3	122.3°	120.0°
N2	C3	C4	N5	0.2°	26.5°
N2	C3	C4	C19	122.8°	154.9°
N2	C3	C4	H4	122.4°	86.3°
N2	C3	C13	C14	163.3°	153.9°
N2	C3	C13	C18	16.8°	26.1°
C3	N2	C2	O1	90.0°	19.7°
C3	N2	C2	N1	90.0°	161.7°
C2	N2	C3	C4	172.8°	163.4°
C2	N2	C3	C13	46.7°	72.2°
C2	N2	C3	H3	68.4°	46.3°
N2	C2	O1	N1	90.0°	178.5°
N2	C2	N1	C5	90.0°	178.5°
N2	C2	N1	C8	90.0°	12.2°
C4	C3	C13	H3	118.2°	124.0°
C3	C4	N5	C19	126.2°	129.0°
C3	C4	N5	H4	118.7°	114.7°
C3	C4	C19	H4	118.0°	120.3°
C4	C3	C13	C14	77.1°	90.0°
C4	C3	C13	C18	102.8°	90.0°
C3	C4	C19	C20	122.3°	89.9°
C3	C4	C19	C24	57.4°	90.0°
C13	C3	C4	N5	122.5°	96.2°
C13	C3	C4	C19	0.2°	32.2°
C13	C3	C4	H4	114.9°	150.9°
C3	C13	C14	C18	179.9°	180.0°
C3	C13	C14	C15	180.0°	179.9°
C3	C13	C14	H14	0.0°	0.0°
C3	C13	C18	C17	179.9°	180.0°
C3	C13	C18	H18	0.0°	0.0°
H3	C3	C4	N5	122.7°	142.2°
H3	C3	C4	C19	114.6°	89.3°
H3	C3	C4	H4	0.1°	29.4°
H3	C3	C13	C14	41.0°	34.0°
H3	C3	C13	C18	139.0°	146.0°
N5	C4	C19	H4	122.3°	116.5°
N5	C4	C19	C20	118.0°	33.2°
N5	C4	C19	C24	62.3°	146.8°
C4	C19	C20	C21	179.8°	180.0°
C4	C19	C20	C24	179.7°	180.0°
C4	C19	C20	H20	0.2°	0.1°
C4	C19	C24	C23	179.7°	180.0°
C4	C19	C24	H24	0.2°	0.0°
H4	C4	C19	C20	4.3°	149.7°
H4	C4	C19	C24	175.5°	30.3°
C13	C14	C15	H14	180.0°	180.0°
C13	C14	C15	C16	0.1°	0.0°
C13	C14	C15	H15	179.9°	180.0°
C14	C13	C18	C17	0.0°	0.0°
C14	C13	C18	H18	180.0°	180.0°
C18	C13	C14	C15	0.1°	0.1°
C18	C13	C14	H14	179.9°	180.0°
C13	C18	C17	C16	0.0°	0.0°
C13	C18	C17	H18	180.0°	180.0°
C13	C18	C17	H17	180.0°	180.0°
C14	C15	C16	H15	180.0°	180.0°
C14	C15	C16	C17	0.1°	0.0°
C14	C15	C16	CL16	179.9°	179.9°
H14	C14	C15	C16	179.9°	180.0°
H14	C14	C15	H15	0.1°	0.0°
C15	C16	C17	CL16	180.0°	179.9°
C15	C16	C17	C18	0.0°	0.0°
C15	C16	C17	H17	180.0°	180.0°
H15	C15	C16	C17	179.9°	180.0°
H15	C15	C16	CL16	0.1°	0.1°
C16	C17	C18	H17	180.0°	180.0°
C16	C17	C18	H18	180.0°	180.0°
CL16	C16	C17	C18	180.0°	179.9°
CL16	C16	C17	H17	0.0°	0.1°
H17	C17	C18	H18	0.0°	0.0°
C21	C20	C19	H20	180.0°	179.9°
C20	C21	C22	H21	180.0°	180.0°
C20	C21	C22	C23	0.1°	0.0°
C20	C21	C22	CL22	179.8°	180.0°
C21	C20	C19	C24	0.0°	0.0°
C19	C20	C21	C22	0.1°	0.0°
C19	C20	C21	H21	179.9°	180.0°
C20	C19	C24	C23	0.0°	0.0°
C20	C19	C24	H24	180.0°	180.0°
H20	C20	C21	C22	179.9°	180.0°
H20	C20	C21	H21	0.1°	0.0°
H20	C20	C19	C24	179.9°	180.0°
C21	C22	C23	CL22	179.8°	179.9°
C21	C22	C23	C24	0.0°	0.0°
C21	C22	C23	H23	180.0°	180.0°
H21	C21	C22	C23	179.9°	180.0°
H21	C21	C22	CL22	0.2°	0.1°
C22	C23	C24	H23	180.0°	180.0°
C22	C23	C24	C19	0.0°	0.0°
C22	C23	C24	H24	180.0°	180.0°
CL22	C22	C23	C24	179.8°	179.9°
CL22	C22	C23	H23	0.1°	0.1°
C23	C24	C19	H24	180.0°	180.0°
H23	C23	C24	C19	180.0°	180.0°
H23	C23	C24	H24	0.0°	0.0°
C29	C28	C27	H28	180.0°	180.0°
C28	C29	C34	O3	180.0°	180.0°
C28	C29	C34	C25	0.1°	0.0°
C29	C28	C27	C26	0.0°	0.1°
C29	C28	C27	O2	179.7°	180.0°
C28	C29	O3	C31	91.0°	30.0°
C27	C28	C29	C34	0.1°	0.0°
C27	C28	C29	O3	179.8°	179.9°
C28	C27	C26	C25	0.1°	0.1°
C28	C27	C26	O2	179.7°	179.9°
C28	C27	C26	H26	179.9°	180.0°
C28	C27	O2	C30	108.5°	0.0°
H28	C28	C29	C34	179.9°	180.0°
H28	C28	C29	O3	0.2°	0.0°
H28	C28	C27	C26	179.9°	180.0°
H28	C28	C27	O2	0.3°	0.0°
C29	C34	C25	C26	0.0°	0.0°
C29	C34	C25	H25	180.0°	180.0°
C34	C29	O3	C31	89.0°	150.0°
O3	C29	C34	C25	179.9°	180.0°
C29	O3	C31	C32	77.1°	118.7°
C29	O3	C31	C33	160.8°	118.7°
C29	O3	C31	H31	41.7°	0.1°
C34	C25	C26	H25	180.0°	180.0°
C34	C25	C26	C27	0.1°	0.0°
C34	C25	C26	H26	179.9°	180.0°
C25	C26	C27	H26	180.0°	179.9°
C25	C26	C27	O2	179.6°	180.0°
H25	C25	C26	C27	179.9°	179.9°
H25	C25	C26	H26	0.1°	0.0°
C26	C27	O2	C30	71.8°	180.0°
H26	C26	C27	O2	0.4°	0.1°
C27	O2	C30	H30	79.5°	55.7°
C27	O2	C30	H301	40.5°	65.0°
C27	O2	C30	H302	160.5°	175.4°
O3	C31	C32	C33	121.4°	121.1°
O3	C31	C32	H31	119.5°	117.4°
O3	C31	C33	H31	119.6°	117.3°
O3	C31	C32	H321	45.5°	178.4°
O3	C31	C32	H322	74.5°	57.6°
O3	C31	C32	H323	165.5°	60.5°
O3	C31	C33	H331	118.2°	178.4°
O3	C31	C33	H332	1.8°	57.7°
O3	C31	C33	H333	121.8°	60.4°
C32	C31	C33	H31	118.8°	121.6°
C31	C32	H321	H322	120.0°	121.7°
C31	C32	H321	H323	120.0°	122.6°
C31	C32	H322	H323	120.0°	120.8°
C32	C31	C33	H331	3.4°	60.5°
C32	C31	C33	H332	123.5°	178.8°
C32	C31	C33	H333	116.5°	60.7°
C33	C31	C32	H321	166.9°	60.6°
C33	C31	C32	H322	46.9°	178.7°
C33	C31	C32	H323	73.1°	60.6°
C31	C33	H331	H332	120.0°	121.7°
C31	C33	H331	H333	120.0°	122.6°
C31	C33	H332	H333	120.0°	120.7°
H31	C31	C32	H321	74.0°	61.0°
H31	C31	C32	H322	166.0°	59.8°
H31	C31	C32	H323	46.0°	177.9°
H31	C31	C33	H331	122.2°	61.0°
H31	C31	C33	H332	117.8°	59.7°
H31	C31	C33	H333	2.3°	177.7°
H321	C32	H322	H323	120.0°	116.9°
H331	C33	H332	H333	119.9°	117.0°
O2	C30	H30	H301	120.0°	120.4°
O2	C30	H30	H302	120.0°	119.4°
O2	C30	H301	H302	120.0°	119.4°
H30	C30	H301	H302	120.0°	120.2°
O1	C2	N1	C5	90.0°	0.1°
O1	C2	N1	C8	90.0°	169.2°
C2	N1	C5	C8	90.0°	170.4°
C2	N1	C5	C6	90.0°	117.1°
C2	N1	C5	H51	90.0°	122.4°
C2	N1	C5	H52	90.0°	5.5°
C2	N1	C8	C7	90.0°	117.4°
C2	N1	C8	H81	90.0°	2.9°
C2	N1	C8	H82	90.0°	121.9°
N1	C5	C6	H51	90.0°	118.6°
N1	C5	C6	H52	90.0°	123.0°
N1	C5	H51	H52	90.0°	119.2°
N1	C5	C6	N3	90.0°	54.9°
N1	C5	C6	H61	90.0°	66.9°
N1	C5	C6	H62	90.0°	175.3°
C5	N1	C8	C7	90.0°	52.5°
C5	N1	C8	H81	90.0°	172.8°
C5	N1	C8	H82	90.0°	68.3°
C8	N1	C5	C6	90.0°	53.4°
C8	N1	C5	H51	90.0°	67.2°
C8	N1	C5	H52	90.0°	175.9°
N1	C8	C7	N3	90.0°	53.7°
N1	C8	C7	H81	90.0°	122.2°
N1	C8	C7	H82	90.0°	119.0°
N1	C8	C7	H71	90.0°	174.3°
N1	C8	C7	H72	90.0°	68.1°
N1	C8	H81	H82	90.0°	118.5°
C6	C5	H51	H52	90.0°	120.1°
C5	C6	N3	H61	90.0°	122.0°
C5	C6	N3	H62	90.0°	120.5°
C5	C6	H61	H62	90.0°	119.1°
C5	C6	N3	C7	90.0°	57.7°
C5	C6	N3	HN3	90.0°	178.4°
H51	C5	C6	N3	90.0°	63.7°
H51	C5	C6	H61	90.0°	174.5°
H51	C5	C6	H62	90.0°	56.7°
H52	C5	C6	N3	90.0°	177.9°
H52	C5	C6	H61	90.0°	56.1°
H52	C5	C6	H62	90.0°	61.8°
N3	C6	H61	H62	90.0°	118.5°
C6	N3	C7	HN3	90.0°	120.6°
C6	N3	C7	C8	90.0°	57.4°
C6	N3	C7	H71	90.0°	178.2°
C6	N3	C7	H72	90.0°	64.7°
H61	C6	N3	C7	90.0°	64.3°
H61	C6	N3	HN3	90.0°	56.4°
H62	C6	N3	C7	90.0°	178.3°
H62	C6	N3	HN3	90.0°	61.1°
N3	C7	C8	H71	90.0°	120.7°
N3	C7	C8	H72	90.0°	121.8°
N3	C7	H71	H72	90.0°	118.5°
N3	C7	C8	H81	90.0°	175.9°
N3	C7	C8	H82	90.0°	65.3°
HN3	N3	C7	C8	90.0°	178.0°
HN3	N3	C7	H71	90.0°	61.2°
HN3	N3	C7	H72	90.0°	55.9°
C8	C7	H71	H72	90.0°	119.3°
C7	C8	H81	H82	90.0°	120.1°
H71	C7	C8	H81	90.0°	63.4°
H71	C7	C8	H82	90.0°	55.3°
H72	C7	C8	H81	90.0°	54.1°
H72	C7	C8	H82	90.0°	172.9°

Definition date:	2004-06-28
Last modified:	2021-03-13
Release status:	REL
Processing site:	RCSB