8OM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	C22	sing	1.53Å	1.53Å
C17	C22	sing	1.53Å	1.52Å
C22	C21	sing	1.53Å	1.54Å
C21	N18	sing	1.46Å	1.49Å
C21	C1	sing	1.51Å	1.52Å
N18	S17	sing	1.66Å	1.62Å
C1	O1	doub	1.21Å	1.25Å
C1	O2	sing	1.34Å	1.26Å
O19	S17	doub	1.42Å	1.45Å
S17	O20	doub	1.42Å	1.44Å
S17	C14	sing	1.76Å	1.62Å
C14	C15	doub	1.38Å	1.40Å	Aromatic
C14	C13	sing	1.38Å	1.40Å	Aromatic
C15	C16	sing	1.38Å	1.39Å	Aromatic
C13	C12	doub	1.38Å	1.40Å	Aromatic
C16	C11	doub	1.39Å	1.40Å	Aromatic
C12	C11	sing	1.39Å	1.39Å	Aromatic
C11	C2	sing	1.48Å	1.50Å
C2	C7	doub	1.39Å	1.40Å	Aromatic
C2	C3	sing	1.39Å	1.40Å	Aromatic
C7	C6	sing	1.38Å	1.39Å	Aromatic
C3	C4	doub	1.38Å	1.40Å	Aromatic
C6	C5	doub	1.38Å	1.39Å	Aromatic
C4	C5	sing	1.38Å	1.39Å	Aromatic
C5	C8	sing	1.51Å	1.50Å
C8	S10	sing	1.81Å	1.77Å
S10	C28	sing	1.76Å	1.71Å
N31	C28	doub	1.32Å	1.36Å
N31	C34	sing	1.33Å	1.35Å
C28	N29	sing	1.36Å	1.36Å
C34	C37	sing	1.51Å	1.51Å
C34	C33	doub	1.36Å	1.45Å
C37	C36	sing	1.54Å	1.54Å
N29	C32	sing	1.35Å	1.35Å
C33	C32	sing	1.41Å	1.47Å
C33	C35	sing	1.51Å	1.50Å
C32	O38	doub	1.22Å	1.25Å
C36	C35	sing	1.54Å	1.54Å
C12	H1	sing	1.08Å	1.08Å
C13	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C4	H7	sing	1.08Å	1.08Å
O2	H8	sing	0.97Å	0.95Å
C21	H9	sing	1.09Å	1.10Å
C22	H10	sing	1.09Å	1.10Å
C17	H11	sing	1.09Å	1.10Å
C17	H12	sing	1.09Å	1.10Å
C17	H13	sing	1.09Å	1.10Å
C9	H14	sing	1.09Å	1.10Å
C9	H15	sing	1.09Å	1.10Å
C9	H16	sing	1.09Å	1.10Å
N18	H17	sing	0.97Å	1.00Å
C15	H18	sing	1.08Å	1.08Å
C16	H19	sing	1.08Å	1.08Å
C3	H20	sing	1.08Å	1.08Å
C37	H21	sing	1.09Å	1.10Å
C36	H22	sing	1.09Å	1.10Å
C35	H23	sing	1.09Å	1.10Å
C37	H24	sing	1.09Å	1.10Å
C36	H25	sing	1.09Å	1.10Å
C35	H26	sing	1.09Å	1.10Å
N29	H27	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C22	C17	107.3°	109.5°
C9	C22	C21	114.1°	109.4°
C9	C22	H10	108.5°	109.4°
C22	C9	H14	109.5°	109.5°
C22	C9	H15	109.5°	109.5°
C22	C9	H16	109.4°	109.5°
C17	C22	C21	109.9°	109.5°
C17	C22	H10	108.5°	109.5°
C22	C17	H11	109.5°	109.5°
C22	C17	H12	109.5°	109.5°
C22	C17	H13	109.5°	109.5°
C22	C21	N18	109.3°	109.5°
C22	C21	C1	108.3°	109.4°
C22	C21	H9	108.6°	109.5°
C21	C22	H10	108.3°	109.5°
N18	C21	C1	112.3°	109.5°
C21	N18	S17	116.1°	120.0°
N18	C21	H9	109.3°	109.5°
C21	N18	H17	107.8°	120.0°
C21	C1	O1	118.9°	120.0°
C21	C1	O2	119.1°	120.0°
C1	C21	H9	108.9°	109.4°
N18	S17	O19	112.1°	106.4°
N18	S17	O20	107.3°	106.4°
N18	S17	C14	107.1°	107.2°
S17	N18	H17	107.8°	120.0°
O1	C1	O2	122.1°	120.0°
C1	O2	H8	109.5°	117.0°
O19	S17	O20	110.4°	123.2°
O19	S17	C14	109.1°	106.4°
O20	S17	C14	110.8°	106.4°
S17	C14	C15	121.2°	119.9°
S17	C14	C13	121.1°	119.9°
C15	C14	C13	117.7°	120.2°
C14	C15	C16	121.0°	120.1°
C14	C15	H18	119.5°	119.9°
C14	C13	C12	121.3°	120.2°
C14	C13	H2	119.3°	120.0°
C15	C16	C11	121.2°	119.9°
C16	C15	H18	119.5°	120.0°
C15	C16	H19	119.4°	120.1°
C13	C12	C11	120.8°	119.9°
C13	C12	H1	119.6°	120.1°
C12	C13	H2	119.4°	119.9°
C16	C11	C12	117.9°	119.7°
C16	C11	C2	120.8°	120.1°
C11	C16	H19	119.4°	120.0°
C12	C11	C2	121.3°	120.1°
C11	C12	H1	119.6°	120.0°
C11	C2	C7	118.9°	120.1°
C11	C2	C3	122.7°	120.1°
C7	C2	C3	118.4°	119.8°
C2	C7	C6	121.1°	119.9°
C2	C7	H5	119.5°	120.0°
C2	C3	C4	120.8°	119.9°
C2	C3	H20	119.6°	120.1°
C7	C6	C5	119.9°	120.1°
C6	C7	H5	119.5°	120.1°
C7	C6	H6	120.0°	119.9°
C3	C4	C5	119.8°	120.1°
C3	C4	H7	120.2°	120.0°
C4	C3	H20	119.6°	120.0°
C6	C5	C4	120.1°	120.3°
C6	C5	C8	119.0°	119.8°
C5	C6	H6	120.0°	120.0°
C4	C5	C8	120.9°	119.9°
C5	C4	H7	120.1°	119.9°
C5	C8	S10	110.4°	109.5°
C5	C8	H3	109.3°	109.5°
C5	C8	H4	109.3°	109.5°
C8	S10	C28	106.2°	100.0°
S10	C8	H3	109.2°	109.5°
S10	C8	H4	109.3°	109.5°
S10	C28	N31	119.0°	119.5°
S10	C28	N29	119.0°	119.4°
C28	N31	C34	119.9°	121.6°
N31	C28	N29	122.0°	121.1°
N31	C34	C37	128.9°	130.3°
N31	C34	C33	120.3°	119.8°
C28	N29	C32	123.4°	119.7°
C28	N29	H27	118.3°	120.2°
C37	C34	C33	110.8°	110.0°
C34	C37	C36	103.4°	105.1°
C34	C37	H21	110.9°	110.3°
C34	C37	H24	111.0°	110.3°
C34	C33	C32	118.2°	119.1°
C34	C33	C35	111.5°	110.2°
C37	C36	C35	110.5°	102.1°
C36	C37	H21	111.0°	110.3°
C37	C36	H22	109.2°	110.9°
C36	C37	H24	111.0°	110.3°
C37	C36	H25	109.2°	110.9°
N29	C32	C33	116.2°	118.8°
N29	C32	O38	121.6°	120.6°
C32	N29	H27	118.3°	120.2°
C32	C33	C35	130.3°	130.7°
C33	C32	O38	122.1°	120.6°
C33	C35	C36	103.3°	105.0°
C33	C35	H23	111.0°	110.3°
C33	C35	H26	111.0°	110.5°
C35	C36	H22	109.2°	110.8°
C36	C35	H23	111.0°	110.3°
C35	C36	H25	109.2°	110.9°
C36	C35	H26	111.0°	110.3°
H3	C8	H4	109.4°	109.5°
H11	C17	H12	109.5°	109.4°
H11	C17	H13	109.5°	109.5°
H12	C17	H13	109.4°	109.4°
H14	C9	H15	109.4°	109.5°
H14	C9	H16	109.5°	109.5°
H15	C9	H16	109.5°	109.4°
H21	C37	H24	109.5°	110.4°
H22	C36	H25	109.4°	110.9°
H23	C35	H26	109.4°	110.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C22	C17	C21	124.7°	120.0°
C9	C22	C17	H10	117.0°	120.0°
C9	C22	C21	H10	121.0°	119.9°
C9	C22	C21	N18	63.9°	60.0°
C9	C22	C21	C1	173.5°	180.0°
C9	C22	C21	H9	55.3°	60.1°
C9	C22	C17	H11	180.0°	60.0°
C9	C22	C17	H12	60.0°	60.0°
C9	C22	C17	H13	60.0°	180.0°
C22	C9	H14	H15	120.0°	120.0°
C22	C9	H14	H16	120.0°	120.0°
C22	C9	H15	H16	120.0°	120.0°
C17	C22	C21	H10	118.4°	120.1°
C17	C22	C21	N18	175.5°	180.0°
C17	C22	C21	C1	52.8°	60.0°
C17	C22	C21	H9	65.3°	59.9°
C22	C17	H11	H12	120.0°	120.0°
C22	C17	H11	H13	120.0°	120.1°
C22	C17	H12	H13	120.0°	120.0°
C17	C22	C9	H14	180.0°	180.0°
C17	C22	C9	H15	60.0°	60.0°
C17	C22	C9	H16	60.0°	60.0°
C22	C21	N18	C1	120.2°	120.0°
C22	C21	N18	H9	118.8°	120.1°
C22	C21	C1	H9	118.0°	120.0°
C22	C21	N18	S17	145.4°	145.0°
C22	C21	C1	O1	75.9°	120.0°
C22	C21	C1	O2	103.0°	60.0°
C21	C22	C17	H11	55.3°	60.0°
C21	C22	C17	H12	64.7°	180.0°
C21	C22	C17	H13	175.4°	60.0°
C21	C22	C9	H14	57.9°	60.0°
C21	C22	C9	H15	177.9°	180.0°
C21	C22	C9	H16	62.1°	60.1°
C22	C21	N18	H17	93.6°	34.9°
N18	C21	C1	H9	121.2°	120.0°
C21	N18	S17	H17	120.9°	179.9°
N18	C21	C1	O1	44.9°	0.0°
N18	C21	C1	O2	136.2°	180.0°
C21	N18	S17	O19	56.7°	178.6°
C21	N18	S17	O20	178.1°	48.5°
C21	N18	S17	C14	62.9°	65.0°
N18	C21	C22	H10	57.1°	59.9°
C1	C21	N18	S17	94.3°	95.1°
C21	C1	O1	O2	178.9°	179.9°
C21	C1	O2	H8	178.9°	180.0°
C1	C21	C22	H10	65.6°	60.1°
C1	C21	N18	H17	26.6°	85.0°
N18	S17	O19	O20	119.5°	122.9°
N18	S17	O19	C14	118.5°	114.1°
N18	S17	O20	C14	116.6°	114.1°
N18	S17	C14	C15	124.0°	90.0°
N18	S17	C14	C13	54.6°	90.0°
S17	N18	C21	H9	26.7°	24.9°
O1	C1	O2	H8	0.0°	0.1°
O1	C1	C21	H9	166.1°	120.0°
O2	C1	C21	H9	15.0°	60.0°
O19	S17	O20	C14	121.0°	123.0°
O19	S17	C14	C15	2.5°	23.5°
O19	S17	C14	C13	176.2°	156.5°
O19	S17	N18	H17	177.7°	1.5°
O20	S17	C14	C15	119.2°	156.5°
O20	S17	C14	C13	62.1°	23.5°
O20	S17	N18	H17	61.0°	131.4°
S17	C14	C15	C13	178.7°	179.9°
S17	C14	C15	C16	179.1°	180.0°
S17	C14	C13	C12	178.3°	180.0°
S17	C14	C13	H2	1.7°	0.0°
C14	S17	N18	H17	58.0°	115.0°
S17	C14	C15	H18	0.9°	0.0°
C14	C15	C16	H18	180.0°	179.9°
C15	C14	C13	C12	0.4°	0.0°
C14	C15	C16	C11	0.8°	0.1°
C15	C14	C13	H2	179.6°	180.0°
C14	C15	C16	H19	179.2°	180.0°
C13	C14	C15	C16	0.4°	0.1°
C14	C13	C12	H2	180.0°	180.0°
C14	C13	C12	C11	0.7°	0.0°
C14	C13	C12	H1	179.3°	179.7°
C13	C14	C15	H18	179.6°	180.0°
C15	C16	C11	H19	180.0°	180.0°
C15	C16	C11	C12	0.4°	0.0°
C15	C16	C11	C2	178.5°	179.7°
C13	C12	C11	C16	0.3°	0.0°
C13	C12	C11	H1	180.0°	179.8°
C13	C12	C11	C2	179.3°	179.8°
C16	C11	C12	C2	179.0°	179.7°
C16	C11	C2	C7	34.2°	0.3°
C16	C11	C2	C3	147.7°	179.8°
C16	C11	C12	H1	179.7°	179.7°
C11	C16	C15	H18	179.2°	180.0°
C12	C11	C2	C7	144.7°	180.0°
C12	C11	C2	C3	33.4°	0.1°
C11	C12	C13	H2	179.3°	180.0°
C12	C11	C16	H19	179.6°	180.0°
C11	C2	C7	C3	178.1°	179.9°
C11	C2	C7	C6	179.3°	180.0°
C11	C2	C3	C4	178.9°	179.4°
C2	C11	C12	H1	0.7°	0.0°
C11	C2	C7	H5	0.7°	0.3°
C2	C11	C16	H19	1.4°	0.3°
C11	C2	C3	H20	1.1°	0.1°
C2	C7	C6	H5	180.0°	179.7°
C7	C2	C3	C4	0.8°	0.5°
C2	C7	C6	C5	1.1°	0.3°
C2	C7	C6	H6	178.9°	179.7°
C7	C2	C3	H20	179.2°	180.0°
C3	C2	C7	C6	1.2°	0.1°
C2	C3	C4	H20	180.0°	179.5°
C2	C3	C4	C5	0.3°	0.8°
C3	C2	C7	H5	178.8°	179.7°
C2	C3	C4	H7	179.7°	179.7°
C7	C6	C5	H6	180.0°	179.9°
C7	C6	C5	C4	0.6°	0.1°
C7	C6	C5	C8	179.4°	180.0°
C3	C4	C5	C6	0.2°	0.5°
C3	C4	C5	H7	180.0°	179.5°
C3	C4	C5	C8	179.1°	179.4°
C6	C5	C4	C8	178.9°	179.9°
C6	C5	C8	S10	101.1°	90.0°
C6	C5	C8	H3	19.0°	150.1°
C6	C5	C8	H4	138.7°	30.0°
C5	C6	C7	H5	178.9°	180.0°
C6	C5	C4	H7	179.8°	180.0°
C4	C5	C8	S10	77.8°	90.0°
C4	C5	C8	H3	162.1°	30.0°
C4	C5	C8	H4	42.4°	150.0°
C4	C5	C6	H6	179.4°	180.0°
C5	C4	C3	H20	179.7°	179.7°
C5	C8	S10	H3	120.2°	120.0°
C5	C8	S10	H4	120.2°	120.0°
C5	C8	S10	C28	179.7°	180.0°
C5	C8	H3	H4	119.6°	120.0°
C8	C5	C6	H6	0.6°	0.0°
C8	C5	C4	H7	1.0°	0.0°
C8	S10	C28	N31	7.7°	0.3°
C8	S10	C28	N29	171.8°	180.0°
S10	C8	H3	H4	119.6°	120.0°
S10	C28	N31	N29	179.5°	179.7°
S10	C28	N31	C34	179.7°	180.0°
S10	C28	N29	C32	178.9°	179.7°
C28	S10	C8	H3	59.6°	60.0°
C28	S10	C8	H4	60.1°	60.0°
S10	C28	N29	H27	1.0°	0.1°
C28	N31	C34	C37	179.8°	179.9°
C28	N31	C34	C33	0.8°	0.0°
N31	C28	N29	C32	0.5°	0.6°
N31	C28	N29	H27	179.5°	179.7°
C34	N31	C28	N29	0.2°	0.3°
N31	C34	C37	C33	179.1°	179.9°
N31	C34	C37	C36	174.6°	163.0°
N31	C34	C33	C32	0.6°	0.0°
N31	C34	C33	C35	179.3°	179.9°
N31	C34	C37	H21	66.4°	44.2°
N31	C34	C37	H24	55.5°	78.1°
C28	N29	C32	H27	180.0°	179.8°
C28	N29	C32	C33	0.6°	0.6°
C28	N29	C32	O38	179.3°	179.7°
C34	C37	C36	H21	119.0°	118.9°
C34	C37	C36	H24	119.0°	118.9°
C37	C34	C33	C32	179.8°	179.9°
C37	C34	C33	C35	0.1°	0.0°
C34	C37	C36	C35	7.5°	26.0°
C34	C37	H21	H24	122.8°	122.2°
C34	C37	C36	H22	127.7°	92.1°
C34	C37	C36	H25	112.7°	144.2°
C33	C34	C37	C36	4.5°	17.0°
C34	C33	C32	N29	0.1°	0.3°
C34	C33	C32	C35	179.9°	179.9°
C34	C33	C32	O38	179.9°	180.0°
C34	C33	C35	C36	4.6°	17.0°
C33	C34	C37	H21	114.5°	135.9°
C34	C33	C35	H23	123.6°	135.9°
C33	C34	C37	H24	123.6°	101.9°
C34	C33	C35	H26	114.4°	101.9°
C37	C36	C35	C33	7.5°	26.0°
C37	C36	C35	H22	120.2°	118.1°
C37	C36	C35	H25	120.2°	118.2°
C36	C37	H21	H24	122.8°	122.2°
C37	C36	H22	H25	119.5°	123.7°
C37	C36	C35	H23	126.6°	144.8°
C37	C36	C35	H26	111.5°	93.1°
N29	C32	C33	O38	180.0°	179.7°
N29	C32	C33	C35	179.9°	179.6°
C32	C33	C35	C36	175.2°	163.0°
C32	C33	C35	H23	56.2°	44.2°
C32	C33	C35	H26	65.8°	78.0°
C33	C32	N29	H27	179.4°	179.7°
C35	C33	C32	O38	0.0°	0.0°
C33	C35	C36	H23	119.0°	118.8°
C33	C35	C36	H26	119.0°	119.0°
C33	C35	C36	H22	127.7°	92.2°
C33	C35	H23	H26	122.9°	122.3°
C33	C35	C36	H25	112.6°	144.2°
O38	C32	N29	H27	0.6°	0.0°
C35	C36	C37	H21	111.5°	144.8°
C35	C36	H22	H25	119.5°	123.6°
C36	C35	H23	H26	122.9°	122.1°
C35	C36	C37	H24	126.5°	92.9°
H1	C12	C13	H2	0.8°	0.2°
H5	C7	C6	H6	1.1°	0.0°
H7	C4	C3	H20	0.3°	0.2°
H9	C21	C22	H10	176.2°	NaN°
H9	C21	N18	H17	147.6°	155.0°
H10	C22	C17	H11	63.0°	179.9°
H10	C22	C17	H12	177.0°	60.0°
H10	C22	C17	H13	57.1°	60.0°
H10	C22	C9	H14	62.9°	60.0°
H10	C22	C9	H15	57.0°	60.0°
H10	C22	C9	H16	177.1°	180.0°
H11	C17	H12	H13	120.0°	119.9°
H14	C9	H15	H16	120.0°	120.0°
H18	C15	C16	H19	0.8°	0.0°
H21	C37	C36	H22	8.6°	26.7°
H21	C37	C36	H25	128.3°	97.0°
H22	C36	C35	H23	113.2°	26.7°
H22	C36	C37	H24	113.3°	149.0°
H22	C36	C35	H26	8.7°	148.8°
H23	C35	C36	H25	6.4°	97.0°
H24	C37	C36	H25	6.4°	25.3°
H25	C36	C35	H26	128.4°	25.2°

Release date:	2017-07-12
Definition date:	2017-02-22
Last modified:	2017-07-07
Release status:	REL
Processing site:	RCSB
Derived from:	5UWK