0UE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C19	C18	sing	0.00Å	1.53Å
C19	N21	sing	0.00Å	1.45Å
C18	C17	sing	0.00Å	1.51Å
C23	C22	sing	0.00Å	1.53Å
C23	C24	sing	0.00Å	1.52Å
N21	O21	sing	0.00Å	1.37Å
N21	C21	sing	0.00Å	1.31Å
C17	C16	sing	0.00Å	1.51Å
C16	C15	sing	0.00Å	1.52Å
C15	N12	sing	0.00Å	1.46Å
C22	C21	sing	0.00Å	1.49Å
C43	C42	sing	0.00Å	1.51Å
C43	N44	sing	0.00Å	1.48Å
O21	FE	sing	0.00Å	1.97Å
C42	C41	sing	0.00Å	1.52Å
C21	O22	doub	0.00Å	1.28Å
C24	N22	sing	0.00Å	1.34Å
C24	O23	doub	0.00Å	1.23Å
N22	C25	sing	0.00Å	1.46Å
N12	C14	sing	0.00Å	1.31Å
O32	C31	doub	0.00Å	1.27Å
O32	FE	sing	0.00Å	2.03Å
C32	C31	sing	0.00Å	1.50Å
C40	C41	sing	0.00Å	1.53Å
C40	C39	sing	0.00Å	1.51Å
O22	FE	sing	0.00Å	2.03Å
C25	C26	sing	0.00Å	1.50Å
C31	N31	sing	0.00Å	1.33Å
FE	O11	sing	0.00Å	1.98Å
FE	O12	sing	0.00Å	2.04Å
FE	O31	sing	0.00Å	1.98Å
C14	O13	doub	0.00Å	1.25Å
C14	C13	sing	0.00Å	1.52Å
O11	N11	sing	0.00Å	1.38Å
C26	C27	sing	0.00Å	1.52Å
C39	N11	sing	0.00Å	1.47Å
N11	C11	sing	0.00Å	1.32Å
O12	C11	doub	0.00Å	1.30Å
N31	O31	sing	0.00Å	1.37Å
N31	C29	sing	0.00Å	1.47Å
C13	C12	sing	0.00Å	1.53Å
C11	C12	sing	0.00Å	1.50Å
C27	C28	sing	0.00Å	1.47Å
C29	C28	sing	0.00Å	1.56Å
C12	H2	sing	0.00Å	1.10Å
C12	H3	sing	0.00Å	1.10Å
C13	H4	sing	0.00Å	1.10Å
C13	H5	sing	0.00Å	1.10Å
N12	H6	sing	0.00Å	1.00Å
C15	H7	sing	0.00Å	1.10Å
C15	H8	sing	0.00Å	1.10Å
C16	H9	sing	0.00Å	1.10Å
C16	H10	sing	0.00Å	1.10Å
C18	H11	sing	0.00Å	1.10Å
C18	H12	sing	0.00Å	1.10Å
C17	H13	sing	0.00Å	1.10Å
C17	H14	sing	0.00Å	1.10Å
C19	H15	sing	0.00Å	1.10Å
C19	H16	sing	0.00Å	1.10Å
C22	H18	sing	0.00Å	1.10Å
C22	H19	sing	0.00Å	1.10Å
C23	H20	sing	0.00Å	1.10Å
C23	H21	sing	0.00Å	1.10Å
N22	H22	sing	0.00Å	1.00Å
C25	H23	sing	0.00Å	1.10Å
C25	H24	sing	0.00Å	1.10Å
C26	H25	sing	0.00Å	1.10Å
C26	H26	sing	0.00Å	1.10Å
C27	H27	sing	0.00Å	1.10Å
C27	H28	sing	0.00Å	1.10Å
C28	H29	sing	0.00Å	1.10Å
C28	H30	sing	0.00Å	1.10Å
C29	H31	sing	0.00Å	1.10Å
C29	H32	sing	0.00Å	1.10Å
C32	H34	sing	0.00Å	1.10Å
C32	H35	sing	0.00Å	1.10Å
C32	H36	sing	0.00Å	1.10Å
C39	H37	sing	0.00Å	1.10Å
C39	H38	sing	0.00Å	1.10Å
C40	H39	sing	0.00Å	1.10Å
C40	H40	sing	0.00Å	1.10Å
C41	H41	sing	0.00Å	1.10Å
C41	H42	sing	0.00Å	1.10Å
C42	H43	sing	0.00Å	1.10Å
C42	H44	sing	0.00Å	1.10Å
C43	H45	sing	0.00Å	1.10Å
C43	H46	sing	0.00Å	1.10Å
N44	H47	sing	0.00Å	1.00Å
N44	H48	sing	0.00Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C18	C19	N21	111.7°	90.0°
C19	C18	C17	113.4°	90.0°
C19	C18	H11	108.5°	90.0°
C19	C18	H12	108.5°	90.0°
C18	C19	H15	108.9°	90.0°
C18	C19	H16	108.9°	90.0°
C19	N21	O21	113.2°	90.0°
C19	N21	C21	130.3°	90.0°
N21	C19	H15	108.9°	90.0°
N21	C19	H16	108.9°	90.0°
C18	C17	C16	114.0°	90.0°
C17	C18	H11	108.5°	90.0°
C17	C18	H12	108.5°	90.0°
C18	C17	H13	108.3°	90.0°
C18	C17	H14	108.3°	90.0°
C22	C23	C24	112.2°	90.0°
C23	C22	C21	112.3°	90.0°
C23	C22	H18	108.8°	90.0°
C23	C22	H19	108.7°	90.0°
C22	C23	H20	108.8°	90.0°
C22	C23	H21	108.8°	90.0°
C23	C24	N22	116.2°	90.0°
C23	C24	O23	120.6°	90.0°
C24	C23	H20	108.7°	90.0°
C24	C23	H21	108.8°	90.0°
O21	N21	C21	116.5°	90.0°
N21	O21	FE	112.9°	90.0°
N21	C21	C22	122.2°	90.0°
N21	C21	O22	118.7°	90.0°
C17	C16	C15	115.3°	90.0°
C17	C16	H9	108.0°	90.0°
C17	C16	H10	108.0°	90.0°
C16	C17	H13	108.3°	90.0°
C16	C17	H14	108.3°	90.0°
C16	C15	N12	112.0°	90.0°
C16	C15	H7	108.8°	90.0°
C16	C15	H8	108.8°	90.0°
C15	C16	H9	108.0°	90.0°
C15	C16	H10	108.0°	90.0°
C15	N12	C14	123.5°	90.0°
C15	N12	H6	118.2°	90.0°
N12	C15	H7	108.8°	90.0°
N12	C15	H8	108.8°	90.0°
C22	C21	O22	119.0°	90.0°
C21	C22	H18	108.7°	90.0°
C21	C22	H19	108.7°	90.0°
C42	C43	N44	112.2°	90.0°
C43	C42	C41	110.4°	90.0°
C43	C42	H43	109.2°	90.0°
C43	C42	H44	109.2°	90.0°
C42	C43	H45	108.8°	90.0°
C42	C43	H46	108.8°	90.0°
N44	C43	H45	108.8°	90.0°
N44	C43	H46	108.8°	90.0°
C43	N44	H47	109.5°	90.0°
C43	N44	H48	109.4°	90.0°
O21	FE	O32	93.2°	90.0°
O21	FE	O22	78.8°	90.0°
O21	FE	O11	92.1°	90.0°
O21	FE	O12	95.9°	90.0°
O21	FE	O31	162.3°	90.0°
C42	C41	C40	114.1°	90.0°
C42	C41	H41	108.3°	90.0°
C42	C41	H42	108.3°	90.0°
C41	C42	H43	109.2°	90.0°
C41	C42	H44	109.2°	90.0°
C21	O22	FE	113.1°	90.0°
N22	C24	O23	123.1°	90.0°
C24	N22	C25	124.4°	90.0°
C24	N22	H22	117.8°	90.0°
N22	C25	C26	115.3°	90.0°
C25	N22	H22	117.8°	90.0°
N22	C25	H23	108.0°	90.0°
N22	C25	H24	108.0°	90.0°
N12	C14	O13	125.1°	90.0°
N12	C14	C13	115.1°	90.0°
C14	N12	H6	118.3°	90.0°
C31	O32	FE	113.1°	90.0°
O32	C31	C32	120.0°	90.0°
O32	C31	N31	119.0°	90.0°
O32	FE	O22	100.3°	90.0°
O32	FE	O11	91.3°	90.0°
O32	FE	O12	166.1°	90.0°
O32	FE	O31	79.3°	90.0°
C32	C31	N31	121.0°	90.0°
C31	C32	H34	109.5°	90.0°
C31	C32	H35	109.5°	90.0°
C31	C32	H36	109.5°	90.0°
C41	C40	C39	114.4°	90.0°
C41	C40	H39	108.2°	90.0°
C41	C40	H40	108.2°	90.0°
C40	C41	H41	108.3°	90.0°
C40	C41	H42	108.3°	90.0°
C40	C39	N11	110.6°	90.0°
C40	C39	H37	109.2°	90.0°
C40	C39	H38	109.2°	90.0°
C39	C40	H39	108.2°	90.0°
C39	C40	H40	108.2°	90.0°
O22	FE	O11	165.5°	90.0°
O22	FE	O12	91.8°	90.0°
O22	FE	O31	86.8°	90.0°
C25	C26	C27	118.1°	90.0°
C26	C25	H23	108.0°	90.0°
C26	C25	H24	108.0°	90.0°
C25	C26	H25	107.3°	90.0°
C25	C26	H26	107.3°	90.0°
C31	N31	O31	116.5°	90.0°
C31	N31	C29	128.0°	90.0°
O11	FE	O12	77.8°	90.0°
O11	FE	O31	104.0°	90.0°
FE	O11	N11	112.8°	90.0°
O12	FE	O31	94.7°	90.0°
FE	O12	C11	113.6°	90.0°
FE	O31	N31	112.1°	90.0°
O13	C14	C13	119.7°	90.0°
C14	C13	C12	116.1°	90.0°
C14	C13	H4	107.8°	90.0°
C14	C13	H5	107.8°	90.0°
O11	N11	C39	110.9°	90.0°
O11	N11	C11	116.7°	90.0°
C26	C27	C28	113.6°	90.0°
C27	C26	H25	107.3°	90.0°
C27	C26	H26	107.3°	90.0°
C26	C27	H27	108.4°	90.0°
C26	C27	H28	108.5°	90.0°
C39	N11	C11	132.4°	90.0°
N11	C39	H37	109.2°	90.0°
N11	C39	H38	109.2°	90.0°
N11	C11	O12	117.0°	90.0°
N11	C11	C12	126.2°	90.0°
O12	C11	C12	116.8°	90.0°
O31	N31	C29	115.6°	90.0°
N31	C29	C28	110.8°	90.0°
N31	C29	H31	109.2°	90.0°
N31	C29	H32	109.1°	90.0°
C13	C12	C11	117.9°	90.0°
C13	C12	H2	107.3°	90.0°
C13	C12	H3	107.3°	90.0°
C12	C13	H4	107.8°	90.0°
C12	C13	H5	107.8°	90.0°
C11	C12	H2	107.3°	90.0°
C11	C12	H3	107.3°	90.0°
C27	C28	C29	115.8°	90.0°
C28	C27	H27	108.4°	90.0°
C28	C27	H28	108.4°	90.0°
C27	C28	H29	107.9°	90.0°
C27	C28	H30	107.9°	90.0°
C29	C28	H29	107.8°	90.0°
C29	C28	H30	107.9°	90.0°
C28	C29	H31	109.1°	90.0°
C28	C29	H32	109.1°	90.0°
H2	C12	H3	109.5°	90.0°
H4	C13	H5	109.5°	90.0°
H7	C15	H8	109.5°	90.0°
H9	C16	H10	109.5°	90.0°
H11	C18	H12	109.5°	90.0°
H13	C17	H14	109.5°	90.0°
H15	C19	H16	109.5°	90.0°
H18	C22	H19	109.5°	90.0°
H20	C23	H21	109.5°	90.0°
H23	C25	H24	109.5°	90.0°
H25	C26	H26	109.5°	90.0°
H27	C27	H28	109.5°	90.0°
H29	C28	H30	109.4°	90.0°
H31	C29	H32	109.5°	90.0°
H34	C32	H35	109.4°	90.0°
H34	C32	H36	109.5°	90.0°
H35	C32	H36	109.5°	90.0°
H37	C39	H38	109.5°	90.0°
H39	C40	H40	109.5°	90.0°
H41	C41	H42	109.5°	90.0°
H43	C42	H44	109.5°	90.0°
H45	C43	H46	109.5°	90.0°
H47	N44	H48	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C18	C19	N21	H15	120.3°	90.0°
C18	C19	N21	H16	120.3°	90.0°
C19	C18	C17	H11	120.6°	90.0°
C19	C18	C17	H12	120.6°	90.0°
C18	C19	N21	O21	70.8°	90.0°
C18	C19	N21	C21	109.2°	90.0°
C19	C18	C17	C16	173.8°	90.0°
C19	C18	H11	H12	118.2°	90.0°
C19	C18	C17	H13	53.2°	90.0°
C19	C18	C17	H14	65.5°	90.0°
C18	C19	H15	H16	119.0°	90.0°
N21	C19	C18	C17	37.9°	90.0°
C19	N21	O21	C21	180.0°	90.0°
C19	N21	C21	C22	0.1°	90.0°
C19	N21	O21	FE	178.2°	90.0°
C19	N21	C21	O22	179.9°	90.0°
N21	C19	C18	H11	82.7°	90.0°
N21	C19	C18	H12	158.5°	90.0°
N21	C19	H15	H16	119.0°	90.0°
C18	C17	C16	H13	120.7°	90.0°
C18	C17	C16	H14	120.7°	90.0°
C18	C17	C16	C15	62.4°	90.0°
C18	C17	C16	H9	58.5°	90.0°
C18	C17	C16	H10	176.8°	90.0°
C17	C18	H11	H12	118.2°	90.0°
C18	C17	H13	H14	118.0°	90.0°
C17	C18	C19	H15	82.4°	90.0°
C17	C18	C19	H16	158.2°	90.0°
C22	C23	C24	H20	120.4°	90.0°
C22	C23	C24	H21	120.4°	90.0°
C23	C22	C21	N21	103.6°	90.0°
C23	C22	C21	H18	120.4°	90.0°
C23	C22	C21	H19	120.4°	90.0°
C23	C22	C21	O22	76.4°	90.0°
C22	C23	C24	N22	119.6°	90.0°
C22	C23	C24	O23	60.7°	90.0°
C23	C22	H18	H19	118.7°	90.0°
C22	C23	H20	H21	118.7°	90.0°
C24	C23	C22	C21	80.0°	90.0°
C23	C24	N22	O23	179.7°	90.0°
C23	C24	N22	C25	179.5°	90.0°
C24	C23	C22	H18	159.6°	90.0°
C24	C23	C22	H19	40.4°	90.0°
C24	C23	H20	H21	118.8°	90.0°
C23	C24	N22	H22	0.5°	90.0°
O21	N21	C21	C22	179.9°	90.0°
O21	N21	C21	O22	0.1°	90.0°
N21	O21	FE	O32	97.8°	90.0°
N21	O21	FE	O22	2.1°	90.0°
N21	O21	FE	O11	170.7°	90.0°
N21	O21	FE	O12	92.7°	90.0°
N21	O21	FE	O31	33.8°	90.0°
O21	N21	C19	H15	168.8°	90.0°
O21	N21	C19	H16	49.5°	90.0°
N21	C21	C22	O22	180.0°	90.0°
C21	N21	O21	FE	1.8°	90.0°
N21	C21	O22	FE	1.9°	90.0°
C21	N21	C19	H15	11.2°	90.0°
C21	N21	C19	H16	130.5°	90.0°
N21	C21	C22	H18	16.9°	90.0°
N21	C21	C22	H19	136.0°	90.0°
C17	C16	C15	H9	120.9°	90.0°
C17	C16	C15	H10	120.8°	90.0°
C17	C16	C15	N12	53.0°	90.0°
C17	C16	C15	H7	67.4°	90.0°
C17	C16	C15	H8	173.3°	90.0°
C17	C16	H9	H10	117.3°	90.0°
C16	C17	C18	H11	65.5°	90.0°
C16	C17	C18	H12	53.3°	90.0°
C16	C17	H13	H14	117.9°	90.0°
C16	C15	N12	H7	120.4°	90.0°
C16	C15	N12	H8	120.4°	90.0°
C16	C15	N12	C14	84.2°	90.0°
C16	C15	N12	H6	95.8°	90.0°
C16	C15	H7	H8	118.8°	90.0°
C15	C16	H9	H10	117.3°	90.0°
C15	C16	C17	H13	176.9°	90.0°
C15	C16	C17	H14	58.3°	90.0°
C15	N12	C14	H6	180.0°	90.0°
C15	N12	C14	O13	0.3°	90.0°
C15	N12	C14	C13	179.5°	90.0°
N12	C15	H7	H8	118.8°	90.0°
N12	C15	C16	H9	173.8°	90.0°
N12	C15	C16	H10	67.9°	90.0°
C22	C21	O22	FE	178.1°	90.0°
C21	C22	H18	H19	118.7°	90.0°
C21	C22	C23	H20	159.7°	90.0°
C21	C22	C23	H21	40.5°	90.0°
C42	C43	N44	H45	120.4°	90.0°
C42	C43	N44	H46	120.4°	90.0°
C43	C42	C41	H43	120.1°	90.0°
C43	C42	C41	H44	120.1°	90.0°
C43	C42	C41	C40	157.2°	90.0°
C43	C42	C41	H41	82.2°	90.0°
C43	C42	C41	H42	36.5°	90.0°
C43	C42	H43	H44	119.6°	90.0°
C42	C43	H45	H46	118.7°	90.0°
C42	C43	N44	H47	180.0°	90.0°
C42	C43	N44	H48	60.0°	90.0°
N44	C43	C42	C41	41.7°	90.0°
N44	C43	C42	H43	161.8°	90.0°
N44	C43	C42	H44	78.4°	90.0°
N44	C43	H45	H46	118.8°	90.0°
C43	N44	H47	H48	120.0°	90.0°
O21	FE	O22	C21	2.2°	90.0°
O21	FE	O32	C31	163.1°	90.0°
O21	FE	O32	O22	79.2°	90.0°
O21	FE	O32	O11	92.2°	90.0°
O21	FE	O32	O12	130.6°	90.0°
O21	FE	O32	O31	163.9°	90.0°
O21	FE	O22	O11	51.9°	90.0°
O21	FE	O22	O12	95.6°	90.0°
O21	FE	O22	O31	169.7°	90.0°
O21	FE	O11	O12	95.5°	90.0°
O21	FE	O11	O31	172.5°	90.0°
O21	FE	O12	O31	165.8°	90.0°
O21	FE	O11	N11	83.9°	90.0°
O21	FE	O12	C11	78.3°	90.0°
O21	FE	O31	N31	65.2°	90.0°
C42	C41	C40	H41	120.7°	90.0°
C42	C41	C40	H42	120.7°	90.0°
C42	C41	C40	C39	152.0°	90.0°
C42	C41	C40	H39	87.2°	90.0°
C42	C41	C40	H40	31.3°	90.0°
C42	C41	H41	H42	117.9°	90.0°
C41	C42	H43	H44	119.6°	90.0°
C41	C42	C43	H45	162.1°	90.0°
C41	C42	C43	H46	78.7°	90.0°
C21	O22	FE	O32	89.0°	90.0°
C21	O22	FE	O11	54.1°	90.0°
C21	O22	FE	O12	97.8°	90.0°
C21	O22	FE	O31	167.5°	90.0°
O22	C21	C22	H18	163.2°	90.0°
O22	C21	C22	H19	44.0°	90.0°
C24	N22	C25	H22	180.0°	90.0°
C24	N22	C25	C26	109.7°	90.0°
N22	C24	C23	H20	120.0°	90.0°
N22	C24	C23	H21	0.8°	90.0°
C24	N22	C25	H23	11.2°	90.0°
C24	N22	C25	H24	129.5°	90.0°
O23	C24	N22	C25	0.2°	90.0°
O23	C24	C23	H20	59.7°	90.0°
O23	C24	C23	H21	178.9°	90.0°
O23	C24	N22	H22	179.7°	90.0°
N22	C25	C26	H23	120.9°	90.0°
N22	C25	C26	H24	120.9°	90.0°
N22	C25	C26	C27	80.2°	90.0°
N22	C25	H23	H24	117.3°	90.0°
N22	C25	C26	H25	158.5°	90.0°
N22	C25	C26	H26	41.0°	90.0°
N12	C14	O13	C13	179.1°	90.0°
N12	C14	C13	C12	90.8°	90.0°
N12	C14	C13	H4	30.2°	90.0°
N12	C14	C13	H5	148.2°	90.0°
C14	N12	C15	H7	155.4°	90.0°
C14	N12	C15	H8	36.1°	90.0°
O32	C31	C32	N31	179.9°	90.0°
C31	O32	FE	O22	83.9°	90.0°
C31	O32	FE	O11	104.7°	90.0°
C31	O32	FE	O12	66.3°	90.0°
C31	O32	FE	O31	0.8°	90.0°
O32	C31	N31	O31	0.1°	90.0°
O32	C31	N31	C29	179.8°	90.0°
O32	C31	C32	H34	0.0°	90.0°
O32	C31	C32	H35	120.0°	90.0°
O32	C31	C32	H36	120.0°	90.0°
FE	O32	C31	C32	179.3°	90.0°
O32	FE	O22	O11	143.1°	90.0°
O32	FE	O22	O12	173.1°	90.0°
O32	FE	O22	O31	78.5°	90.0°
FE	O32	C31	N31	0.6°	90.0°
O32	FE	O11	O12	171.2°	90.0°
O32	FE	O11	O31	79.3°	90.0°
O32	FE	O12	O31	63.8°	90.0°
O32	FE	O11	N11	177.1°	90.0°
O32	FE	O12	C11	52.1°	90.0°
O32	FE	O31	N31	0.8°	90.0°
C32	C31	N31	O31	180.0°	90.0°
C32	C31	N31	C29	0.0°	90.0°
C31	C32	H34	H35	120.0°	90.0°
C31	C32	H34	H36	120.0°	90.0°
C31	C32	H35	H36	120.0°	90.0°
C41	C40	C39	H39	120.7°	90.0°
C41	C40	C39	H40	120.7°	90.0°
C41	C40	C39	N11	120.0°	90.0°
C41	C40	C39	H37	0.2°	90.0°
C41	C40	C39	H38	119.9°	90.0°
C41	C40	H39	H40	117.8°	90.0°
C40	C41	H41	H42	117.9°	90.0°
C40	C41	C42	H43	37.0°	90.0°
C40	C41	C42	H44	82.7°	90.0°
C40	C39	N11	O11	44.6°	90.0°
C40	C39	N11	H37	120.2°	90.0°
C40	C39	N11	H38	120.1°	90.0°
C40	C39	N11	C11	134.9°	90.0°
C40	C39	H37	H38	119.5°	90.0°
C39	C40	H39	H40	117.8°	90.0°
C39	C40	C41	H41	31.3°	90.0°
C39	C40	C41	H42	87.3°	90.0°
O22	FE	O11	O12	45.0°	90.0°
O22	FE	O11	O31	136.9°	90.0°
O22	FE	O12	O31	86.9°	90.0°
O22	FE	O11	N11	33.3°	90.0°
O22	FE	O12	C11	157.2°	90.0°
O22	FE	O31	N31	100.4°	90.0°
C25	C26	C27	H25	121.2°	90.0°
C25	C26	C27	H26	121.2°	90.0°
C25	C26	C27	C28	179.3°	90.0°
C26	C25	N22	H22	70.3°	90.0°
C26	C25	H23	H24	117.3°	90.0°
C25	C26	H25	H26	116.1°	90.0°
C25	C26	C27	H27	58.7°	90.0°
C25	C26	C27	H28	60.1°	90.0°
C31	N31	O31	FE	0.8°	90.0°
C31	N31	O31	C29	180.0°	90.0°
C31	N31	C29	C28	135.4°	90.0°
C31	N31	C29	H31	15.2°	90.0°
C31	N31	C29	H32	104.4°	90.0°
N31	C31	C32	H34	179.9°	90.0°
N31	C31	C32	H35	60.1°	90.0°
N31	C31	C32	H36	59.8°	90.0°
O11	FE	O12	O31	103.3°	90.0°
FE	O11	N11	C39	169.7°	90.0°
FE	O11	N11	C11	9.9°	90.0°
O11	FE	O12	C11	12.6°	90.0°
O11	FE	O31	N31	89.5°	90.0°
O12	FE	O11	N11	11.6°	90.0°
FE	O12	C11	N11	11.2°	90.0°
O12	FE	O31	N31	168.1°	90.0°
FE	O12	C11	C12	170.2°	90.0°
O31	FE	O11	N11	103.5°	90.0°
O31	FE	O12	C11	115.9°	90.0°
FE	O31	N31	C29	179.2°	90.0°
O13	C14	C13	C12	90.0°	90.0°
O13	C14	C13	H4	149.0°	90.0°
O13	C14	C13	H5	30.9°	90.0°
O13	C14	N12	H6	179.7°	90.0°
C14	C13	C12	H4	121.0°	90.0°
C14	C13	C12	H5	121.0°	90.0°
C14	C13	C12	C11	91.3°	90.0°
C14	C13	C12	H2	147.5°	90.0°
C14	C13	C12	H3	29.9°	90.0°
C14	C13	H4	H5	117.0°	90.0°
C13	C14	N12	H6	0.5°	90.0°
O11	N11	C39	C11	179.5°	90.0°
O11	N11	C11	O12	1.1°	90.0°
O11	N11	C11	C12	179.5°	90.0°
O11	N11	C39	H37	75.6°	90.0°
O11	N11	C39	H38	164.8°	90.0°
C26	C27	C28	H27	120.6°	90.0°
C26	C27	C28	H28	120.6°	90.0°
C26	C27	C28	C29	43.6°	90.0°
C27	C26	C25	H23	40.6°	90.0°
C27	C26	C25	H24	158.9°	90.0°
C27	C26	H25	H26	116.1°	90.0°
C26	C27	H27	H28	118.1°	90.0°
C26	C27	C28	H29	164.5°	90.0°
C26	C27	C28	H30	77.4°	90.0°
C39	N11	C11	O12	179.4°	90.0°
C39	N11	C11	C12	1.0°	90.0°
N11	C39	H37	H38	119.5°	90.0°
N11	C39	C40	H39	119.3°	90.0°
N11	C39	C40	H40	0.8°	90.0°
N11	C11	O12	C12	178.6°	90.0°
N11	C11	C12	C13	51.1°	90.0°
N11	C11	C12	H2	70.1°	90.0°
N11	C11	C12	H3	172.3°	90.0°
C11	N11	C39	H37	104.9°	90.0°
C11	N11	C39	H38	14.8°	90.0°
O12	C11	C12	C13	130.5°	90.0°
O12	C11	C12	H2	108.3°	90.0°
O12	C11	C12	H3	9.3°	90.0°
O31	N31	C29	C28	44.5°	90.0°
O31	N31	C29	H31	164.7°	90.0°
O31	N31	C29	H32	75.6°	90.0°
N31	C29	C28	C27	49.5°	90.0°
N31	C29	C28	H31	120.2°	90.0°
N31	C29	C28	H32	120.2°	90.0°
N31	C29	C28	H29	71.4°	90.0°
N31	C29	C28	H30	170.5°	90.0°
N31	C29	H31	H32	119.4°	90.0°
C13	C12	C11	H2	121.2°	90.0°
C13	C12	C11	H3	121.2°	90.0°
C13	C12	H2	H3	116.2°	90.0°
C12	C13	H4	H5	117.0°	90.0°
C11	C12	H2	H3	116.2°	90.0°
C11	C12	C13	H4	29.7°	90.0°
C11	C12	C13	H5	147.7°	90.0°
C27	C28	C29	H29	120.9°	90.0°
C27	C28	C29	H30	120.9°	90.0°
C28	C27	C26	H25	59.5°	90.0°
C28	C27	C26	H26	58.0°	90.0°
C28	C27	H27	H28	118.1°	90.0°
C27	C28	H29	H30	117.1°	90.0°
C27	C28	C29	H31	70.7°	90.0°
C27	C28	C29	H32	169.7°	90.0°
C29	C28	C27	H27	77.0°	90.0°
C29	C28	C27	H28	164.2°	90.0°
C29	C28	H29	H30	117.1°	90.0°
C28	C29	H31	H32	119.3°	90.0°
H2	C12	C13	H4	91.5°	90.0°
H2	C12	C13	H5	26.5°	90.0°
H3	C12	C13	H4	150.9°	90.0°
H3	C12	C13	H5	91.1°	90.0°
H6	N12	C15	H7	24.6°	90.0°
H6	N12	C15	H8	143.9°	90.0°
H7	C15	C16	H9	53.5°	90.0°
H7	C15	C16	H10	171.8°	90.0°
H8	C15	C16	H9	65.8°	90.0°
H8	C15	C16	H10	52.5°	90.0°
H9	C16	C17	H13	62.2°	90.0°
H9	C16	C17	H14	179.1°	90.0°
H10	C16	C17	H13	56.1°	90.0°
H10	C16	C17	H14	62.6°	90.0°
H11	C18	C17	H13	173.8°	90.0°
H11	C18	C17	H14	55.1°	90.0°
H11	C18	C19	H15	157.0°	90.0°
H11	C18	C19	H16	37.7°	90.0°
H12	C18	C17	H13	67.4°	90.0°
H12	C18	C17	H14	174.0°	90.0°
H12	C18	C19	H15	38.2°	90.0°
H12	C18	C19	H16	81.2°	90.0°
H18	C22	C23	H20	39.3°	90.0°
H18	C22	C23	H21	79.9°	90.0°
H19	C22	C23	H20	80.0°	90.0°
H19	C22	C23	H21	160.9°	90.0°
H22	N22	C25	H23	168.8°	90.0°
H22	N22	C25	H24	50.5°	90.0°
H23	C25	C26	H25	80.6°	90.0°
H23	C25	C26	H26	161.9°	90.0°
H24	C25	C26	H25	37.7°	90.0°
H24	C25	C26	H26	79.9°	90.0°
H25	C26	C27	H27	179.9°	90.0°
H25	C26	C27	H28	61.1°	90.0°
H26	C26	C27	H27	62.6°	90.0°
H26	C26	C27	H28	178.7°	90.0°
H27	C27	C28	H29	43.9°	90.0°
H27	C27	C28	H30	162.1°	90.0°
H28	C27	C28	H29	74.9°	90.0°
H28	C27	C28	H30	43.3°	90.0°
H29	C28	C29	H31	168.4°	90.0°
H29	C28	C29	H32	48.8°	90.0°
H30	C28	C29	H31	50.3°	90.0°
H30	C28	C29	H32	69.3°	90.0°
H34	C32	H35	H36	120.0°	90.0°
H37	C39	C40	H39	120.5°	90.0°
H37	C39	C40	H40	120.9°	90.0°
H38	C39	C40	H39	0.8°	90.0°
H38	C39	C40	H40	119.4°	90.0°
H39	C40	C41	H41	152.1°	90.0°
H39	C40	C41	H42	33.5°	90.0°
H40	C40	C41	H41	89.4°	90.0°
H40	C40	C41	H42	152.0°	90.0°
H41	C41	C42	H43	157.7°	90.0°
H41	C41	C42	H44	37.9°	90.0°
H42	C41	C42	H43	83.7°	90.0°
H42	C41	C42	H44	156.6°	90.0°
H43	C42	C43	H45	77.8°	90.0°
H43	C42	C43	H46	41.4°	90.0°
H44	C42	C43	H45	42.0°	90.0°
H44	C42	C43	H46	161.1°	90.0°
H45	C43	N44	H47	59.6°	90.0°
H45	C43	N44	H48	179.6°	90.0°
H46	C43	N44	H47	59.6°	90.0°
H46	C43	N44	H48	60.4°	90.0°

Release date:	2013-06-12
Definition date:	2012-06-15
Last modified:	2013-06-07
Release status:	REL
Processing site:	RCSB
Derived from:	4FIL