02U

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	O	doub	1.21Å	1.24Å
C	CH3	sing	1.51Å	1.55Å
CH3	H1	sing	1.09Å	1.10Å
CH3	H2	sing	1.09Å	1.10Å
C	OXT	sing	1.34Å	63.26Å
OXT	HXT	sing	0.97Å	0.00Å
CH3	C1	sing	1.53Å	64.67Å
C1	C2	sing	1.53Å	0.00Å
C2	C3	sing	1.53Å	0.00Å
C3	C4	sing	1.53Å	0.00Å
C4	C5	sing	1.53Å	0.00Å
C5	C6	sing	1.53Å	0.00Å
C6	C7	sing	1.51Å	0.00Å
C7	C8	doub	1.31Å	0.00Å
C8	C9	sing	1.51Å	0.00Å
C9	C10	sing	1.53Å	0.00Å
C10	C11	sing	1.53Å	0.00Å
C11	C12	sing	1.53Å	0.00Å
C12	C13	sing	1.53Å	0.00Å
C12	C14	sing	1.53Å	0.00Å
C14	C15	sing	1.53Å	0.00Å
C1	H3	sing	1.09Å	0.00Å
C1	H4	sing	1.09Å	0.00Å
C2	H5	sing	1.09Å	0.00Å
C2	H6	sing	1.09Å	0.00Å
C3	H7	sing	1.09Å	0.00Å
C3	H8	sing	1.09Å	0.00Å
C4	H9	sing	1.09Å	0.00Å
C4	H10	sing	1.09Å	0.00Å
C5	H11	sing	1.09Å	0.00Å
C5	H12	sing	1.09Å	0.00Å
C6	H13	sing	1.09Å	0.00Å
C6	H14	sing	1.09Å	0.00Å
C7	H15	sing	1.08Å	0.00Å
C8	H16	sing	1.08Å	0.00Å
C9	H17	sing	1.09Å	0.00Å
C9	H18	sing	1.09Å	0.00Å
C10	H19	sing	1.09Å	0.00Å
C10	H20	sing	1.09Å	0.00Å
C11	H21	sing	1.09Å	0.00Å
C11	H22	sing	1.09Å	0.00Å
C12	H23	sing	1.09Å	0.00Å
C13	H24	sing	1.09Å	0.00Å
C13	H25	sing	1.09Å	0.00Å
C13	H26	sing	1.09Å	0.00Å
C14	H27	sing	1.09Å	0.00Å
C14	H28	sing	1.09Å	0.00Å
C15	H29	sing	1.09Å	0.00Å
C15	H30	sing	1.09Å	0.00Å
C15	H31	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	CH3	119.3°	120.0°
O	C	OXT	84.3°	120.0°
C	CH3	H1	157.0°	109.5°
C	CH3	H2	157.0°	109.5°
CH3	C	OXT	155.5°	120.0°
C	CH3	C1	23.9°	109.5°
H1	CH3	H2	39.6°	109.5°
H1	CH3	C1	157.0°	109.4°
H2	CH3	C1	157.0°	109.5°
C	OXT	HXT	90.0°	117.0°
CH3	C1	C2	90.0°	109.5°
CH3	C1	H3	90.0°	109.4°
CH3	C1	H4	90.0°	109.5°
C1	C2	C3	90.0°	109.5°
C2	C1	H3	90.0°	109.5°
C2	C1	H4	90.0°	109.5°
C1	C2	H5	90.0°	109.4°
C1	C2	H6	90.0°	109.5°
C2	C3	C4	90.0°	109.5°
C3	C2	H5	90.0°	109.5°
C3	C2	H6	90.0°	109.5°
C2	C3	H7	90.0°	109.4°
C2	C3	H8	90.0°	109.5°
C3	C4	C5	90.0°	109.4°
C4	C3	H7	90.0°	109.4°
C4	C3	H8	90.0°	109.6°
C3	C4	H9	90.0°	109.4°
C3	C4	H10	90.0°	109.6°
C4	C5	C6	90.0°	109.5°
C5	C4	H9	90.0°	109.5°
C5	C4	H10	90.0°	109.4°
C4	C5	H11	90.0°	109.5°
C4	C5	H12	90.0°	109.5°
C5	C6	C7	90.0°	109.5°
C6	C5	H11	90.0°	109.5°
C6	C5	H12	90.0°	109.4°
C5	C6	H13	90.0°	109.5°
C5	C6	H14	90.0°	109.5°
C6	C7	C8	90.0°	120.0°
C7	C6	H13	90.0°	109.5°
C7	C6	H14	90.0°	109.5°
C6	C7	H15	90.0°	119.9°
C7	C8	C9	90.0°	120.0°
C8	C7	H15	90.0°	120.1°
C7	C8	H16	90.0°	120.0°
C8	C9	C10	90.0°	109.5°
C9	C8	H16	90.0°	120.0°
C8	C9	H17	90.0°	109.5°
C8	C9	H18	90.0°	109.5°
C9	C10	C11	90.0°	109.5°
C10	C9	H17	90.0°	109.5°
C10	C9	H18	90.0°	109.4°
C9	C10	H19	90.0°	109.5°
C9	C10	H20	90.0°	109.5°
C10	C11	C12	90.0°	109.5°
C11	C10	H19	90.0°	109.4°
C11	C10	H20	90.0°	109.4°
C10	C11	H21	90.0°	109.5°
C10	C11	H22	90.0°	109.5°
C11	C12	C13	90.0°	109.5°
C11	C12	C14	90.0°	109.5°
C12	C11	H21	90.0°	109.5°
C12	C11	H22	90.0°	109.4°
C11	C12	H23	90.0°	109.5°
C13	C12	C14	90.0°	109.4°
C13	C12	H23	90.0°	109.5°
C12	C13	H24	90.0°	109.5°
C12	C13	H25	90.0°	109.5°
C12	C13	H26	90.0°	109.4°
C12	C14	C15	90.0°	109.5°
C14	C12	H23	90.0°	109.4°
C12	C14	H27	90.0°	109.5°
C12	C14	H28	90.0°	109.4°
C15	C14	H27	90.0°	109.5°
C15	C14	H28	90.0°	109.5°
C14	C15	H29	90.0°	109.5°
C14	C15	H30	90.0°	109.5°
C14	C15	H31	90.0°	109.4°
H3	C1	H4	90.0°	109.4°
H5	C2	H6	90.0°	109.4°
H7	C3	H8	90.0°	109.5°
H9	C4	H10	90.0°	109.5°
H11	C5	H12	90.0°	109.5°
H13	C6	H14	90.0°	109.4°
H17	C9	H18	90.0°	109.5°
H19	C10	H20	90.0°	109.5°
H21	C11	H22	90.0°	109.5°
H24	C13	H25	90.0°	109.5°
H24	C13	H26	90.0°	109.5°
H25	C13	H26	90.0°	109.5°
H27	C14	H28	90.0°	109.5°
H29	C15	H30	90.0°	109.5°
H29	C15	H31	90.0°	109.4°
H30	C15	H31	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	CH3	OXT	163.4°	179.7°
O	C	CH3	H1	76.6°	120.0°
O	C	CH3	H2	43.4°	120.0°
O	C	OXT	HXT	90.0°	0.0°
O	C	CH3	C1	163.4°	0.0°
C	CH3	H1	H2	147.9°	120.0°
C	CH3	H1	C1	64.2°	120.0°
C	CH3	H2	C1	64.2°	120.0°
CH3	C	OXT	HXT	90.0°	179.7°
C	CH3	C1	C2	90.0°	180.0°
C	CH3	C1	H3	90.0°	60.0°
C	CH3	C1	H4	90.0°	59.9°
H1	CH3	H2	C1	147.9°	120.0°
H1	CH3	C	OXT	120.0°	60.3°
H1	CH3	C1	C2	90.0°	60.0°
H1	CH3	C1	H3	90.0°	179.9°
H1	CH3	C1	H4	90.0°	60.0°
H2	CH3	C	OXT	120.0°	59.7°
H2	CH3	C1	C2	90.0°	60.0°
H2	CH3	C1	H3	90.0°	60.0°
H2	CH3	C1	H4	90.0°	180.0°
OXT	C	CH3	C1	0.0°	179.7°
CH3	C1	C2	H3	90.0°	120.0°
CH3	C1	C2	H4	90.0°	120.1°
CH3	C1	C2	C3	90.0°	180.0°
CH3	C1	H3	H4	90.0°	120.0°
CH3	C1	C2	H5	90.0°	60.0°
CH3	C1	C2	H6	90.0°	59.9°
C1	C2	C3	H5	90.0°	120.0°
C1	C2	C3	H6	90.0°	120.1°
C1	C2	C3	C4	90.0°	180.0°
C2	C1	H3	H4	90.0°	120.0°
C1	C2	H5	H6	90.0°	119.9°
C1	C2	C3	H7	90.0°	60.0°
C1	C2	C3	H8	90.0°	59.9°
C2	C3	C4	H7	90.0°	119.9°
C2	C3	C4	H8	90.0°	120.0°
C2	C3	C4	C5	90.0°	180.0°
C3	C2	C1	H3	90.0°	60.0°
C3	C2	C1	H4	90.0°	59.9°
C3	C2	H5	H6	90.0°	120.0°
C2	C3	H7	H8	90.0°	120.0°
C2	C3	C4	H9	90.0°	60.1°
C2	C3	C4	H10	90.0°	60.0°
C3	C4	C5	H9	90.0°	119.9°
C3	C4	C5	H10	90.0°	120.1°
C3	C4	C5	C6	90.0°	179.9°
C4	C3	C2	H5	90.0°	60.0°
C4	C3	C2	H6	90.0°	59.9°
C4	C3	H7	H8	90.0°	120.1°
C3	C4	H9	H10	90.0°	120.1°
C3	C4	C5	H11	90.0°	60.0°
C3	C4	C5	H12	90.0°	60.0°
C4	C5	C6	H11	90.0°	120.1°
C4	C5	C6	H12	90.0°	120.0°
C4	C5	C6	C7	90.0°	180.0°
C5	C4	C3	H7	90.0°	60.0°
C5	C4	C3	H8	90.0°	60.0°
C5	C4	H9	H10	90.0°	120.0°
C4	C5	H11	H12	90.0°	120.0°
C4	C5	C6	H13	90.0°	60.0°
C4	C5	C6	H14	90.0°	60.0°
C5	C6	C7	H13	90.0°	120.1°
C5	C6	C7	H14	90.0°	120.0°
C5	C6	C7	C8	90.0°	125.0°
C6	C5	C4	H9	90.0°	60.0°
C6	C5	C4	H10	90.0°	60.0°
C6	C5	H11	H12	90.0°	120.0°
C5	C6	H13	H14	90.0°	120.0°
C5	C6	C7	H15	90.0°	55.0°
C6	C7	C8	H15	90.0°	180.0°
C6	C7	C8	C9	90.0°	180.0°
C7	C6	C5	H11	90.0°	59.9°
C7	C6	C5	H12	90.0°	60.0°
C7	C6	H13	H14	90.0°	120.0°
C6	C7	C8	H16	90.0°	0.0°
C7	C8	C9	H16	90.0°	180.0°
C7	C8	C9	C10	90.0°	125.0°
C8	C7	C6	H13	90.0°	4.9°
C8	C7	C6	H14	90.0°	115.0°
C7	C8	C9	H17	90.0°	115.0°
C7	C8	C9	H18	90.0°	5.1°
C8	C9	C10	H17	90.0°	120.0°
C8	C9	C10	H18	90.0°	120.0°
C8	C9	C10	C11	90.0°	180.0°
C9	C8	C7	H15	90.0°	0.0°
C8	C9	H17	H18	90.0°	120.1°
C8	C9	C10	H19	90.0°	60.0°
C8	C9	C10	H20	90.0°	60.0°
C9	C10	C11	H19	90.0°	120.0°
C9	C10	C11	H20	90.0°	120.0°
C9	C10	C11	C12	90.0°	NaN°
C10	C9	C8	H16	90.0°	55.0°
C10	C9	H17	H18	90.0°	120.0°
C9	C10	H19	H20	90.0°	120.1°
C9	C10	C11	H21	90.0°	60.0°
C9	C10	C11	H22	90.0°	60.0°
C10	C11	C12	H21	90.0°	120.0°
C10	C11	C12	H22	90.0°	120.0°
C10	C11	C12	C13	90.0°	65.0°
C10	C11	C12	C14	90.0°	175.0°
C11	C10	C9	H17	90.0°	60.0°
C11	C10	C9	H18	90.0°	60.0°
C11	C10	H19	H20	90.0°	119.9°
C10	C11	H21	H22	90.0°	120.0°
C10	C11	C12	H23	90.0°	55.0°
C11	C12	C13	C14	90.0°	120.0°
C11	C12	C13	H23	90.0°	120.1°
C11	C12	C14	H23	90.0°	120.1°
C11	C12	C14	C15	90.0°	175.0°
C12	C11	C10	H19	90.0°	60.0°
C12	C11	C10	H20	90.0°	60.0°
C12	C11	H21	H22	90.0°	120.0°
C11	C12	C13	H24	90.0°	60.0°
C11	C12	C13	H25	90.0°	180.0°
C11	C12	C13	H26	90.0°	60.0°
C11	C12	C14	H27	90.0°	64.9°
C11	C12	C14	H28	90.0°	55.0°
C13	C12	C14	H23	90.0°	119.9°
C13	C12	C14	C15	90.0°	65.0°
C13	C12	C11	H21	90.0°	55.0°
C13	C12	C11	H22	90.0°	175.0°
C12	C13	H24	H25	90.0°	120.0°
C12	C13	H24	H26	90.0°	120.0°
C12	C13	H25	H26	90.0°	120.0°
C13	C12	C14	H27	90.0°	55.0°
C13	C12	C14	H28	90.0°	175.0°
C12	C14	C15	H27	90.0°	120.1°
C12	C14	C15	H28	90.0°	119.9°
C14	C12	C11	H21	90.0°	65.0°
C14	C12	C11	H22	90.0°	55.0°
C14	C12	C13	H24	90.0°	60.0°
C14	C12	C13	H25	90.0°	60.0°
C14	C12	C13	H26	90.0°	180.0°
C12	C14	H27	H28	90.0°	120.0°
C12	C14	C15	H29	90.0°	60.0°
C12	C14	C15	H30	90.0°	60.1°
C12	C14	C15	H31	90.0°	179.9°
C15	C14	C12	H23	90.0°	54.9°
C15	C14	H27	H28	90.0°	120.0°
C14	C15	H29	H30	90.0°	120.1°
C14	C15	H29	H31	90.0°	119.9°
C14	C15	H30	H31	90.0°	120.0°
H3	C1	C2	H5	90.0°	180.0°
H3	C1	C2	H6	90.0°	60.1°
H4	C1	C2	H5	90.0°	60.1°
H4	C1	C2	H6	90.0°	180.0°
H5	C2	C3	H7	90.0°	180.0°
H5	C2	C3	H8	90.0°	60.1°
H6	C2	C3	H7	90.0°	60.0°
H6	C2	C3	H8	90.0°	180.0°
H7	C3	C4	H9	90.0°	180.0°
H7	C3	C4	H10	90.0°	60.0°
H8	C3	C4	H9	90.0°	60.0°
H8	C3	C4	H10	90.0°	180.0°
H9	C4	C5	H11	90.0°	180.0°
H9	C4	C5	H12	90.0°	60.0°
H10	C4	C5	H11	90.0°	60.1°
H10	C4	C5	H12	90.0°	179.9°
H11	C5	C6	H13	90.0°	180.0°
H11	C5	C6	H14	90.0°	60.1°
H12	C5	C6	H13	90.0°	60.0°
H12	C5	C6	H14	90.0°	180.0°
H13	C6	C7	H15	90.0°	175.0°
H14	C6	C7	H15	90.0°	65.0°
H15	C7	C8	H16	90.0°	180.0°
H16	C8	C9	H17	90.0°	65.0°
H16	C8	C9	H18	90.0°	175.0°
H17	C9	C10	H19	90.0°	180.0°
H17	C9	C10	H20	90.0°	60.0°
H18	C9	C10	H19	90.0°	60.0°
H18	C9	C10	H20	90.0°	180.0°
H19	C10	C11	H21	90.0°	180.0°
H19	C10	C11	H22	90.0°	60.0°
H20	C10	C11	H21	90.0°	60.0°
H20	C10	C11	H22	90.0°	179.9°
H21	C11	C12	H23	90.0°	175.0°
H22	C11	C12	H23	90.0°	65.0°
H23	C12	C13	H24	90.0°	180.0°
H23	C12	C13	H25	90.0°	59.9°
H23	C12	C13	H26	90.0°	60.1°
H23	C12	C14	H27	90.0°	175.0°
H23	C12	C14	H28	90.0°	65.0°
H24	C13	H25	H26	90.0°	120.0°
H27	C14	C15	H29	90.0°	179.9°
H27	C14	C15	H30	90.0°	60.0°
H27	C14	C15	H31	90.0°	60.0°
H28	C14	C15	H29	90.0°	59.9°
H28	C14	C15	H30	90.0°	180.0°
H28	C14	C15	H31	90.0°	60.0°
H29	C15	H30	H31	90.0°	120.0°

Definition date:	2011-06-10
Last modified:	2011-09-30
Release status:	REL
Processing site:	RCSB
Derived from:	3S04