JZY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	N2	doub	1.33Å	1.35Å	Aromatic
C1	C6	sing	1.41Å	1.48Å	Aromatic
C1	N10	sing	1.39Å	1.41Å
N2	C3	sing	1.33Å	1.36Å	Aromatic
C3	N4	doub	1.32Å	1.37Å	Aromatic
C3	C16	sing	1.48Å	1.49Å	Aromatic
N4	C5	sing	1.35Å	1.34Å	Aromatic
C5	C6	doub	1.40Å	1.46Å	Aromatic
C5	C9	sing	1.40Å	1.43Å	Aromatic
C6	S7	sing	1.76Å	1.66Å	Aromatic
S7	C8	sing	1.76Å	1.74Å	Aromatic
C8	C9	doub	1.32Å	1.40Å	Aromatic
C8	C24	sing	1.51Å	1.51Å
N10	C11	sing	1.47Å	1.46Å
N10	C15	sing	1.47Å	1.47Å
C11	C12	sing	1.53Å	1.52Å
C12	O13	sing	1.43Å	1.42Å
O13	C14	sing	1.43Å	1.42Å
C14	C15	sing	1.53Å	1.51Å
C16	C17	doub	1.40Å	1.39Å	Aromatic
C16	C21	sing	1.40Å	1.49Å	Aromatic
C17	N18	sing	1.32Å	1.34Å	Aromatic
N18	C19	doub	1.33Å	1.35Å	Aromatic
C19	N20	sing	1.33Å	1.35Å	Aromatic
C19	N23	sing	1.38Å	1.34Å
N20	C21	doub	1.32Å	1.34Å	Aromatic
C21	C22	sing	1.51Å	1.50Å
C24	N25	sing	1.47Å	1.46Å
N25	C26	sing	1.47Å	1.46Å
N25	C30	sing	1.47Å	1.46Å
C26	C27	sing	1.53Å	1.53Å
C27	N28	sing	1.47Å	1.46Å
N28	C29	sing	1.47Å	1.45Å
N28	S31	sing	1.65Å	1.53Å
C29	C30	sing	1.53Å	1.52Å
S31	O32	doub	1.42Å	1.45Å
S31	O33	doub	1.42Å	1.44Å
S31	C34	sing	1.81Å	1.67Å
C9	H9	sing	1.08Å	1.08Å
C11	H11	sing	1.09Å	1.10Å
C11	H11A	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C12	H12A	sing	1.09Å	1.10Å
C14	H14	sing	1.09Å	1.10Å
C14	H14A	sing	1.09Å	1.10Å
C15	H15	sing	1.09Å	1.10Å
C15	H15A	sing	1.09Å	1.10Å
C17	H17	sing	1.08Å	1.08Å
C22	H22	sing	1.09Å	1.10Å
C22	H22A	sing	1.09Å	1.10Å
C22	H22B	sing	1.09Å	1.10Å
N23	HN23	sing	0.97Å	1.00Å
N23	HN2A	sing	0.97Å	1.00Å
C24	H24	sing	1.09Å	1.10Å
C24	H24A	sing	1.09Å	1.10Å
C26	H26	sing	1.09Å	1.10Å
C26	H26A	sing	1.09Å	1.10Å
C27	H27	sing	1.09Å	1.10Å
C27	H27A	sing	1.09Å	1.10Å
C29	H29	sing	1.09Å	1.10Å
C29	H29A	sing	1.09Å	1.10Å
C30	H30	sing	1.09Å	1.10Å
C30	H30A	sing	1.09Å	1.10Å
C34	H34	sing	1.09Å	1.10Å
C34	H34A	sing	1.09Å	1.10Å
C34	H34B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	C1	C6	114.9°	119.0°
N2	C1	N10	118.1°	120.4°
C1	N2	C3	123.3°	120.7°
C6	C1	N10	127.0°	120.5°
C1	C6	C5	119.7°	119.0°
C1	C6	S7	131.4°	131.5°
C1	N10	C11	122.9°	111.0°
C1	N10	C15	117.2°	111.0°
N2	C3	N4	123.2°	122.3°
N2	C3	C16	117.1°	118.8°
N4	C3	C16	119.7°	118.8°
C3	N4	C5	119.6°	121.1°
C3	C16	C17	120.3°	120.8°
C3	C16	C21	121.6°	120.8°
N4	C5	C6	119.2°	117.9°
N4	C5	C9	126.6°	129.6°
C6	C5	C9	114.2°	112.5°
C5	C6	S7	108.9°	109.5°
C5	C9	C8	110.2°	115.8°
C5	C9	H9	124.9°	122.1°
C6	S7	C8	95.3°	91.5°
S7	C8	C9	111.4°	110.8°
S7	C8	C24	113.8°	124.6°
C9	C8	C24	134.8°	124.7°
C8	C9	H9	124.9°	122.1°
C8	C24	N25	108.9°	109.5°
C8	C24	H24	109.7°	109.5°
C8	C24	H24A	109.6°	109.5°
C11	N10	C15	119.8°	110.7°
N10	C11	C12	105.9°	109.3°
N10	C11	H11	110.7°	109.5°
N10	C11	H11A	110.7°	109.5°
N10	C15	C14	108.9°	109.3°
N10	C15	H15	109.6°	109.6°
N10	C15	H15A	109.6°	109.5°
C11	C12	O13	108.7°	109.3°
C12	C11	H11	110.7°	109.5°
C12	C11	H11A	110.7°	109.5°
C11	C12	H12	109.7°	109.5°
C11	C12	H12A	109.7°	109.5°
C12	O13	C14	110.7°	113.7°
O13	C12	H12	109.7°	109.5°
O13	C12	H12A	109.7°	109.6°
O13	C14	C15	110.5°	109.2°
O13	C14	H14	109.1°	109.5°
O13	C14	H14A	109.1°	109.5°
C15	C14	H14	109.1°	109.5°
C15	C14	H14A	109.1°	109.5°
C14	C15	H15	109.7°	109.5°
C14	C15	H15A	109.7°	109.5°
C17	C16	C21	118.2°	118.3°
C16	C17	N18	119.4°	119.0°
C16	C17	H17	120.3°	120.4°
C16	C21	N20	118.3°	119.0°
C16	C21	C22	122.1°	120.5°
C17	N18	C19	121.5°	120.9°
N18	C17	H17	120.3°	120.6°
N18	C19	N20	122.8°	121.8°
N18	C19	N23	118.3°	119.1°
N20	C19	N23	118.9°	119.1°
C19	N20	C21	119.9°	120.9°
C19	N23	HN23	109.5°	120.0°
C19	N23	HN2A	109.5°	120.1°
N20	C21	C22	119.6°	120.5°
C21	C22	H22	109.5°	109.4°
C21	C22	H22A	109.5°	109.5°
C21	C22	H22B	109.5°	109.5°
C24	N25	C26	120.2°	111.0°
C24	N25	C30	118.4°	111.0°
N25	C24	H24	109.6°	109.4°
N25	C24	H24A	109.7°	109.4°
C26	N25	C30	121.3°	111.3°
N25	C26	C27	107.8°	109.3°
N25	C26	H26	110.0°	109.5°
N25	C26	H26A	110.0°	109.5°
N25	C30	C29	107.9°	109.3°
N25	C30	H30	110.0°	109.5°
N25	C30	H30A	110.0°	109.4°
C26	C27	N28	106.1°	108.5°
C27	C26	H26	110.0°	109.5°
C27	C26	H26A	110.0°	109.5°
C26	C27	H27	110.6°	109.6°
C26	C27	H27A	110.6°	109.6°
C27	N28	C29	116.0°	118.2°
C27	N28	S31	122.5°	120.9°
N28	C27	H27	110.6°	109.6°
N28	C27	H27A	110.6°	109.6°
C29	N28	S31	121.6°	120.9°
N28	C29	C30	104.0°	108.6°
N28	C29	H29	111.4°	109.6°
N28	C29	H29A	111.4°	109.6°
N28	S31	O32	112.9°	104.3°
N28	S31	O33	108.7°	104.3°
N28	S31	C34	106.1°	104.5°
C30	C29	H29	111.3°	109.6°
C30	C29	H29A	111.4°	109.7°
C29	C30	H30	110.0°	109.5°
C29	C30	H30A	110.0°	109.5°
O32	S31	O33	106.5°	121.0°
O32	S31	C34	111.0°	110.5°
O33	S31	C34	111.7°	110.6°
S31	C34	H34	109.5°	109.5°
S31	C34	H34A	109.5°	109.5°
S31	C34	H34B	109.5°	109.5°
H11	C11	H11A	108.3°	109.5°
H12	C12	H12A	109.3°	109.5°
H14	C14	H14A	109.8°	109.6°
H15	C15	H15A	109.3°	109.5°
H22	C22	H22A	109.4°	109.4°
H22	C22	H22B	109.4°	109.5°
H22A	C22	H22B	109.5°	109.5°
HN23	N23	HN2A	109.4°	120.0°
H24	C24	H24A	109.3°	109.5°
H26	C26	H26A	108.9°	109.5°
H27	C27	H27A	108.3°	109.8°
H29	C29	H29A	107.5°	109.7°
H30	C30	H30A	109.0°	109.6°
H34	C34	H34A	109.4°	109.5°
H34	C34	H34B	109.5°	109.4°
H34A	C34	H34B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	C1	C6	N10	179.4°	179.7°
C1	N2	C3	N4	0.7°	0.1°
C1	N2	C3	C16	179.7°	180.0°
N2	C1	C6	C5	0.7°	0.0°
N2	C1	C6	S7	179.1°	180.0°
N2	C1	N10	C11	165.1°	0.0°
N2	C1	N10	C15	12.0°	123.6°
C6	C1	N2	C3	0.2°	0.0°
C1	C6	C5	N4	0.4°	0.0°
C1	C6	C5	S7	179.9°	180.0°
C1	C6	C5	C9	180.0°	180.0°
C1	C6	S7	C8	179.7°	180.0°
C6	C1	N10	C11	14.3°	179.7°
C6	C1	N10	C15	168.6°	56.6°
N10	C1	N2	C3	179.7°	179.8°
N10	C1	C6	C5	179.8°	179.7°
N10	C1	C6	S7	0.3°	0.3°
C1	N10	C11	C15	177.0°	123.8°
C1	N10	C11	C12	133.9°	177.6°
C1	N10	C15	C14	138.4°	177.6°
C1	N10	C11	H11	13.9°	57.7°
C1	N10	C11	H11A	106.2°	62.4°
C1	N10	C15	H15	101.6°	62.5°
C1	N10	C15	H15A	18.4°	57.7°
N2	C3	N4	C16	178.9°	179.9°
N2	C3	N4	C5	1.1°	0.1°
N2	C3	C16	C17	45.4°	47.4°
N2	C3	C16	C21	134.1°	132.3°
C3	N4	C5	C6	0.5°	0.1°
C3	N4	C5	C9	179.1°	179.9°
N4	C3	C16	C17	133.6°	132.6°
N4	C3	C16	C21	46.9°	47.6°
C16	C3	N4	C5	179.9°	180.0°
C3	C16	C17	C21	179.4°	179.8°
C3	C16	C17	N18	179.6°	180.0°
C3	C16	C21	N20	179.7°	179.7°
C3	C16	C21	C22	0.2°	0.0°
C3	C16	C17	H17	0.4°	0.0°
N4	C5	C6	C9	179.7°	180.0°
N4	C5	C6	S7	179.5°	180.0°
N4	C5	C9	C8	179.9°	180.0°
N4	C5	C9	H9	0.1°	0.0°
C5	C6	S7	C8	0.4°	0.0°
C6	C5	C9	C8	0.2°	0.0°
C6	C5	C9	H9	179.7°	180.0°
C9	C5	C6	S7	0.2°	0.0°
C5	C9	C8	S7	0.5°	0.0°
C5	C9	C8	H9	180.0°	179.9°
C5	C9	C8	C24	179.5°	180.0°
C6	S7	C8	C9	0.6°	0.0°
C6	S7	C8	C24	179.4°	180.0°
S7	C8	C9	C24	180.0°	180.0°
S7	C8	C24	N25	94.2°	90.0°
S7	C8	C9	H9	179.4°	180.0°
S7	C8	C24	H24	25.8°	30.0°
S7	C8	C24	H24A	145.8°	150.0°
C9	C8	C24	N25	85.8°	90.0°
C9	C8	C24	H24	154.2°	150.0°
C9	C8	C24	H24A	34.2°	30.0°
C8	C24	N25	H24	120.0°	120.1°
C8	C24	N25	H24A	120.0°	120.0°
C8	C24	N25	C26	106.2°	170.0°
C8	C24	N25	C30	71.9°	45.7°
C24	C8	C9	H9	0.6°	0.0°
C8	C24	H24	H24A	120.2°	120.0°
N10	C11	C12	H11	120.0°	119.9°
N10	C11	C12	H11A	120.0°	119.9°
N10	C11	C12	O13	58.4°	56.8°
C11	N10	C15	C14	44.4°	58.6°
N10	C11	H11	H11A	121.5°	120.1°
N10	C11	C12	H12	61.6°	63.1°
N10	C11	C12	H12A	178.3°	176.8°
C11	N10	C15	H15	75.6°	61.3°
C11	N10	C15	H15A	164.4°	178.5°
C15	N10	C11	C12	49.1°	58.6°
N10	C15	C14	O13	47.7°	56.9°
N10	C15	C14	H15	120.0°	120.0°
N10	C15	C14	H15A	120.0°	119.9°
C15	N10	C11	H11	169.1°	178.6°
C15	N10	C11	H11A	70.9°	61.3°
N10	C15	C14	H14	72.4°	63.1°
N10	C15	C14	H14A	167.7°	176.7°
N10	C15	H15	H15A	120.2°	120.2°
C11	C12	O13	H12	120.0°	119.9°
C11	C12	O13	H12A	120.0°	119.9°
C11	C12	O13	C14	69.9°	58.7°
C12	C11	H11	H11A	121.5°	120.1°
C11	C12	H12	H12A	120.3°	120.0°
C12	O13	C14	C15	63.8°	58.7°
O13	C12	C11	H11	178.3°	176.8°
O13	C12	C11	H11A	61.6°	63.1°
O13	C12	H12	H12A	120.3°	120.2°
C12	O13	C14	H14	56.2°	61.3°
C12	O13	C14	H14A	176.2°	178.6°
O13	C14	C15	H14	120.0°	120.0°
O13	C14	C15	H14A	120.0°	119.9°
C14	O13	C12	H12	50.1°	61.2°
C14	O13	C12	H12A	170.1°	178.6°
O13	C14	H14	H14A	119.6°	120.1°
O13	C14	C15	H15	72.3°	63.1°
O13	C14	C15	H15A	167.6°	176.8°
C15	C14	H14	H14A	119.6°	120.1°
C14	C15	H15	H15A	120.2°	120.0°
C16	C17	N18	H17	180.0°	179.9°
C16	C17	N18	C19	0.3°	0.1°
C17	C16	C21	N20	0.9°	0.5°
C17	C16	C21	C22	179.6°	179.7°
C21	C16	C17	N18	1.0°	0.2°
C16	C21	N20	C19	0.1°	0.5°
C16	C21	N20	C22	179.5°	179.7°
C21	C16	C17	H17	179.1°	179.7°
C16	C21	C22	H22	179.5°	84.6°
C16	C21	C22	H22A	60.6°	155.4°
C16	C21	C22	H22B	59.5°	35.4°
C17	N18	C19	N20	0.5°	0.1°
C17	N18	C19	N23	180.0°	180.0°
N18	C19	N20	N23	179.4°	180.0°
N18	C19	N20	C21	0.6°	0.2°
C19	N18	C17	H17	179.7°	180.0°
N18	C19	N23	HN23	0.0°	0.1°
N18	C19	N23	HN2A	120.0°	179.9°
C19	N20	C21	C22	179.6°	179.7°
N20	C19	N23	HN23	179.5°	180.0°
N20	C19	N23	HN2A	59.5°	0.0°
N23	C19	N20	C21	180.0°	179.7°
C19	N23	HN23	HN2A	120.0°	180.0°
N20	C21	C22	H22	0.0°	95.1°
N20	C21	C22	H22A	120.0°	24.9°
N20	C21	C22	H22B	120.0°	144.9°
C21	C22	H22	H22A	120.0°	120.0°
C21	C22	H22	H22B	120.0°	120.0°
C21	C22	H22A	H22B	120.0°	120.0°
C24	N25	C26	C30	178.1°	124.1°
C24	N25	C26	C27	132.7°	172.7°
C24	N25	C30	C29	129.2°	172.7°
N25	C24	H24	H24A	120.2°	119.9°
C24	N25	C26	H26	107.3°	67.3°
C24	N25	C26	H26A	12.7°	52.8°
C24	N25	C30	H30	9.2°	52.8°
C24	N25	C30	H30A	110.8°	67.4°
N25	C26	C27	H26	120.0°	120.0°
N25	C26	C27	H26A	120.0°	119.9°
N25	C26	C27	N28	48.9°	53.9°
C26	N25	C30	C29	52.6°	63.1°
C26	N25	C24	H24	13.8°	49.9°
C26	N25	C24	H24A	133.8°	70.0°
N25	C26	H26	H26A	120.7°	120.1°
N25	C26	C27	H27	168.9°	173.5°
N25	C26	C27	H27A	71.1°	65.8°
C26	N25	C30	H30	172.6°	176.9°
C26	N25	C30	H30A	67.4°	56.8°
C30	N25	C26	C27	49.2°	63.1°
N25	C30	C29	N28	54.5°	53.8°
N25	C30	C29	H30	120.0°	120.0°
N25	C30	C29	H30A	120.0°	119.9°
C30	N25	C24	H24	168.1°	74.4°
C30	N25	C24	H24A	48.1°	165.7°
C30	N25	C26	H26	70.8°	56.9°
C30	N25	C26	H26A	169.1°	176.9°
N25	C30	C29	H29	174.5°	173.5°
N25	C30	C29	H29A	65.5°	65.9°
N25	C30	H30	H30A	120.6°	120.1°
C26	C27	N28	H27	120.0°	119.7°
C26	C27	N28	H27A	120.0°	119.7°
C26	C27	N28	C29	66.4°	51.2°
C26	C27	N28	S31	113.3°	128.8°
C27	C26	H26	H26A	120.7°	120.1°
C26	C27	H27	H27A	121.4°	120.5°
C27	N28	C29	S31	179.7°	180.0°
C27	N28	C29	C30	68.9°	51.2°
C27	N28	S31	O32	33.0°	153.9°
C27	N28	S31	O33	150.9°	26.1°
C27	N28	S31	C34	88.9°	90.0°
N28	C27	C26	H26	71.1°	66.1°
N28	C27	C26	H26A	168.9°	173.8°
N28	C27	H27	H27A	121.4°	120.5°
C27	N28	C29	H29	171.1°	170.9°
C27	N28	C29	H29A	51.1°	68.6°
N28	C29	C30	H29	120.0°	119.7°
N28	C29	C30	H29A	120.0°	119.8°
C29	N28	S31	O32	146.7°	26.0°
C29	N28	S31	O33	28.8°	153.9°
C29	N28	S31	C34	91.4°	90.0°
C29	N28	C27	H27	173.6°	170.9°
C29	N28	C27	H27A	53.6°	68.5°
N28	C29	H29	H29A	122.2°	120.4°
N28	C29	C30	H30	174.5°	173.8°
N28	C29	C30	H30A	65.5°	66.1°
S31	N28	C29	C30	110.8°	128.8°
N28	S31	O32	O33	119.2°	116.8°
N28	S31	O32	C34	119.0°	111.8°
N28	S31	O33	C34	116.7°	111.8°
S31	N28	C27	H27	6.7°	9.1°
S31	N28	C27	H27A	126.7°	111.5°
S31	N28	C29	H29	9.1°	9.0°
S31	N28	C29	H29A	129.1°	111.4°
N28	S31	C34	H34	180.0°	59.9°
N28	S31	C34	H34A	60.0°	180.0°
N28	S31	C34	H34B	60.0°	60.0°
C30	C29	H29	H29A	122.2°	120.5°
C29	C30	H30	H30A	120.7°	120.1°
O32	S31	O33	C34	121.3°	131.5°
O32	S31	C34	H34	57.0°	51.7°
O32	S31	C34	H34A	63.0°	68.4°
O32	S31	C34	H34B	177.0°	171.6°
O33	S31	C34	H34	61.7°	171.6°
O33	S31	C34	H34A	178.3°	68.3°
O33	S31	C34	H34B	58.3°	51.7°
S31	C34	H34	H34A	120.0°	120.1°
S31	C34	H34	H34B	120.0°	120.0°
S31	C34	H34A	H34B	120.0°	120.0°
H11	C11	C12	H12	58.3°	56.8°
H11	C11	C12	H12A	61.7°	63.2°
H11A	C11	C12	H12	178.4°	176.9°
H11A	C11	C12	H12A	58.4°	56.9°
H14	C14	C15	H15	167.7°	176.9°
H14	C14	C15	H15A	47.6°	56.8°
H14A	C14	C15	H15	47.7°	56.7°
H14A	C14	C15	H15A	72.4°	63.3°
H22	C22	H22A	H22B	120.0°	120.0°
H26	C26	C27	H27	48.9°	53.6°
H26	C26	C27	H27A	168.9°	174.2°
H26A	C26	C27	H27	71.1°	66.5°
H26A	C26	C27	H27A	48.9°	54.1°
H29	C29	C30	H30	65.5°	66.5°
H29	C29	C30	H30A	54.5°	53.7°
H29A	C29	C30	H30	54.5°	54.0°
H29A	C29	C30	H30A	174.5°	174.2°
H34	C34	H34A	H34B	120.0°	120.0°

Definition date:	2010-01-11
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB