BJ5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O13	C14	doub	0.00Å	1.23Å
C13	C14	sing	0.00Å	1.51Å
C13	C12	sing	0.00Å	1.53Å
C14	N12	sing	0.00Å	1.33Å
C42	C43	sing	0.00Å	1.52Å
C42	C41	sing	0.00Å	1.52Å
C43	N44	sing	0.00Å	1.46Å
C12	C11	sing	0.00Å	1.50Å
N12	C15	sing	0.00Å	1.46Å
C15	C16	sing	0.00Å	1.51Å
C41	C40	sing	0.00Å	1.53Å
C16	C17	sing	0.00Å	1.52Å
C11	O12	doub	0.00Å	1.30Å
C11	N11	sing	0.00Å	1.43Å
C40	C39	sing	0.00Å	1.51Å
C39	N11	sing	0.00Å	1.46Å
O12	FE	sing	0.00Å	1.99Å
N11	O11	sing	0.00Å	1.31Å
C17	C18	sing	0.00Å	1.51Å
O32	FE	sing	0.00Å	2.00Å
O32	C31	doub	0.00Å	1.33Å
O11	FE	sing	0.00Å	1.98Å
C18	C19	sing	0.00Å	1.52Å
FE	O21	sing	0.00Å	1.97Å
FE	O22	sing	0.00Å	1.98Å
FE	O31	sing	0.00Å	1.99Å
C32	C31	sing	0.00Å	1.50Å
C31	N31	sing	0.00Å	1.42Å
O21	N21	sing	0.00Å	1.31Å
O22	C21	doub	0.00Å	1.31Å
N21	C19	sing	0.00Å	1.48Å
N21	C21	sing	0.00Å	1.44Å
C21	C22	sing	0.00Å	1.49Å
N31	O31	sing	0.00Å	1.30Å
N31	C29	sing	0.00Å	1.47Å
C22	C23	sing	0.00Å	1.53Å
C29	C28	sing	0.00Å	1.53Å
C23	C24	sing	0.00Å	1.51Å
C28	C27	sing	0.00Å	1.52Å
C27	C26	sing	0.00Å	1.52Å
C24	N22	sing	0.00Å	1.33Å
C24	O23	doub	0.00Å	1.22Å
N22	C25	sing	0.00Å	1.46Å
C26	C25	sing	0.00Å	1.50Å
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)
O13	C14	C13	121.6°	90.0°
O13	C14	N12	121.5°	90.0°
C14	C13	C12	113.1°	90.0°
C13	C14	N12	116.8°	90.0°
C14	C13	H4	108.6°	90.0°
C14	C13	H5	108.6°	90.0°
C13	C12	C11	112.6°	90.0°
C13	C12	H2	108.7°	90.0°
C13	C12	H3	108.7°	90.0°
C12	C13	H4	108.5°	90.0°
C12	C13	H5	108.5°	90.0°
C14	N12	C15	123.5°	90.0°
C14	N12	H6	118.3°	90.0°
C43	C42	C41	114.2°	90.0°
C42	C43	N44	113.5°	90.0°
C43	C42	H43	108.3°	90.0°
C43	C42	H44	108.3°	90.0°
C42	C43	H45	108.5°	90.0°
C42	C43	H46	108.5°	90.0°
C42	C41	C40	115.5°	90.0°
C42	C41	H41	107.9°	90.0°
C42	C41	H42	108.0°	90.0°
C41	C42	H43	108.3°	90.0°
C41	C42	H44	108.3°	90.0°
N44	C43	H45	108.4°	90.0°
N44	C43	H46	108.4°	90.0°
C43	N44	H47	109.5°	90.0°
C43	N44	H48	109.5°	90.0°
C12	C11	O12	118.0°	90.0°
C12	C11	N11	126.7°	90.0°
C11	C12	H2	108.7°	90.0°
C11	C12	H3	108.7°	90.0°
N12	C15	C16	113.2°	90.0°
C15	N12	H6	118.3°	90.0°
N12	C15	H7	108.5°	90.0°
N12	C15	H8	108.5°	90.0°
C15	C16	C17	115.7°	90.0°
C16	C15	H7	108.5°	90.0°
C16	C15	H8	108.5°	90.0°
C15	C16	H9	107.9°	90.0°
C15	C16	H10	107.9°	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	108.0°	90.0°
C40	C41	H42	107.9°	90.0°
C16	C17	C18	115.4°	90.0°
C17	C16	H9	107.9°	90.0°
C17	C16	H10	107.9°	90.0°
C16	C17	H13	108.0°	90.0°
C16	C17	H14	108.0°	90.0°
O12	C11	N11	115.0°	90.0°
C11	O12	FE	108.2°	90.0°
C11	N11	C39	121.2°	90.0°
C11	N11	O11	122.8°	90.0°
C40	C39	N11	112.3°	90.0°
C40	C39	H37	108.8°	90.0°
C40	C39	H38	108.7°	90.0°
C39	C40	H39	108.2°	90.0°
C39	C40	H40	108.2°	90.0°
C39	N11	O11	115.9°	90.0°
N11	C39	H37	108.7°	90.0°
N11	C39	H38	108.8°	90.0°
O12	FE	O32	93.3°	90.0°
O12	FE	O11	86.9°	90.0°
O12	FE	O21	91.4°	90.0°
O12	FE	O22	88.3°	90.0°
O12	FE	O31	177.9°	90.0°
N11	O11	FE	102.9°	90.0°
C17	C18	C19	113.3°	90.0°
C17	C18	H11	108.5°	90.0°
C17	C18	H12	108.5°	90.0°
C18	C17	H13	108.0°	90.0°
C18	C17	H14	107.9°	90.0°
FE	O32	C31	109.6°	90.0°
O32	FE	O11	88.0°	90.0°
O32	FE	O21	93.5°	90.0°
O32	FE	O22	178.1°	90.0°
O32	FE	O31	85.2°	90.0°
O32	C31	C32	120.0°	90.0°
O32	C31	N31	115.0°	90.0°
O11	FE	O21	177.8°	90.0°
O11	FE	O22	93.1°	90.0°
O11	FE	O31	91.6°	90.0°
C18	C19	N21	112.2°	90.0°
C19	C18	H11	108.5°	90.0°
C19	C18	H12	108.5°	90.0°
C18	C19	H15	108.8°	90.0°
C18	C19	H16	108.8°	90.0°
O21	FE	O22	85.5°	90.0°
O21	FE	O31	90.2°	90.0°
FE	O21	N21	106.8°	90.0°
O22	FE	O31	93.2°	90.0°
FE	O22	C21	110.0°	90.0°
FE	O31	N31	106.5°	90.0°
C32	C31	N31	124.9°	90.0°
C31	C32	H34	109.5°	90.0°
C31	C32	H35	109.5°	90.0°
C31	C32	H36	109.5°	90.0°
C31	N31	O31	123.3°	90.0°
C31	N31	C29	122.8°	90.0°
O21	N21	C19	115.1°	90.0°
O21	N21	C21	121.2°	90.0°
O22	C21	N21	114.5°	90.0°
O22	C21	C22	117.7°	90.0°
C19	N21	C21	123.7°	90.0°
N21	C19	H15	108.8°	90.0°
N21	C19	H16	108.8°	90.0°
N21	C21	C22	127.4°	90.0°
C21	C22	C23	113.3°	90.0°
C21	C22	H18	108.5°	90.0°
C21	C22	H19	108.5°	90.0°
O31	N31	C29	113.7°	90.0°
N31	C29	C28	112.0°	90.0°
N31	C29	H31	108.8°	90.0°
N31	C29	H32	108.8°	90.0°
C22	C23	C24	112.9°	90.0°
C23	C22	H18	108.5°	90.0°
C23	C22	H19	108.5°	90.0°
C22	C23	H20	108.6°	90.0°
C22	C23	H21	108.6°	90.0°
C29	C28	C27	114.5°	90.0°
C29	C28	H29	108.2°	90.0°
C29	C28	H30	108.2°	90.0°
C28	C29	H31	108.8°	90.0°
C28	C29	H32	108.8°	90.0°
C23	C24	N22	116.5°	90.0°
C23	C24	O23	121.7°	90.0°
C24	C23	H20	108.6°	90.0°
C24	C23	H21	108.6°	90.0°
C28	C27	C26	114.9°	90.0°
C28	C27	H27	108.1°	90.0°
C28	C27	H28	108.1°	90.0°
C27	C28	H29	108.2°	90.0°
C27	C28	H30	108.2°	90.0°
C27	C26	C25	114.0°	90.0°
C27	C26	H25	108.3°	90.0°
C27	C26	H26	108.3°	90.0°
C26	C27	H27	108.1°	90.0°
C26	C27	H28	108.1°	90.0°
N22	C24	O23	121.8°	90.0°
C24	N22	C25	124.8°	90.0°
C24	N22	H22	117.6°	90.0°
N22	C25	C26	111.7°	90.0°
C25	N22	H22	117.6°	90.0°
N22	C25	H23	108.9°	90.0°
N22	C25	H24	108.9°	90.0°
C26	C25	H23	108.9°	90.0°
C26	C25	H24	108.9°	90.0°
C25	C26	H25	108.3°	90.0°
C25	C26	H26	108.3°	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	109.4°	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	109.5°	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	109.4°	90.0°
H41	C41	H42	109.5°	90.0°
H43	C42	H44	109.4°	90.0°
H45	C43	H46	109.5°	90.0°
H47	N44	H48	109.4°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O13	C14	C13	N12	177.0°	90.0°
O13	C14	C13	C12	97.9°	90.0°
O13	C14	N12	C15	14.5°	90.0°
O13	C14	C13	H4	22.6°	90.0°
O13	C14	C13	H5	141.5°	90.0°
O13	C14	N12	H6	165.6°	90.0°
C14	C13	C12	H4	120.6°	90.0°
C14	C13	C12	H5	120.6°	90.0°
C14	C13	C12	C11	91.8°	90.0°
C13	C14	N12	C15	162.5°	90.0°
C14	C13	C12	H2	28.7°	90.0°
C14	C13	C12	H3	147.8°	90.0°
C14	C13	H4	H5	118.3°	90.0°
C13	C14	N12	H6	17.5°	90.0°
C12	C13	C14	N12	85.1°	90.0°
C13	C12	C11	H2	120.5°	90.0°
C13	C12	C11	H3	120.5°	90.0°
C13	C12	C11	O12	34.5°	90.0°
C13	C12	C11	N11	151.8°	90.0°
C13	C12	H2	H3	118.6°	90.0°
C12	C13	H4	H5	118.3°	90.0°
C14	N12	C15	H6	180.0°	90.0°
C14	N12	C15	C16	113.4°	90.0°
N12	C14	C13	H4	154.3°	90.0°
N12	C14	C13	H5	35.4°	90.0°
C14	N12	C15	H7	126.1°	90.0°
C14	N12	C15	H8	7.2°	90.0°
C43	C42	C41	H43	120.7°	90.0°
C43	C42	C41	H44	120.7°	90.0°
C42	C43	N44	H45	120.6°	90.0°
C42	C43	N44	H46	120.6°	90.0°
C43	C42	C41	C40	101.0°	90.0°
C43	C42	C41	H41	19.9°	90.0°
C43	C42	C41	H42	138.1°	90.0°
C43	C42	H43	H44	117.9°	90.0°
C42	C43	H45	H46	118.2°	90.0°
C42	C43	N44	H47	180.0°	90.0°
C42	C43	N44	H48	60.0°	90.0°
C41	C42	C43	N44	33.0°	90.0°
C42	C41	C40	H41	120.9°	90.0°
C42	C41	C40	H42	120.9°	90.0°
C42	C41	C40	C39	132.5°	90.0°
C42	C41	C40	H39	11.8°	90.0°
C42	C41	C40	H40	106.7°	90.0°
C42	C41	H41	H42	117.3°	90.0°
C41	C42	H43	H44	117.8°	90.0°
C41	C42	C43	H45	153.6°	90.0°
C41	C42	C43	H46	87.6°	90.0°
N44	C43	C42	H43	153.7°	90.0°
N44	C43	C42	H44	87.7°	90.0°
N44	C43	H45	H46	118.1°	90.0°
C43	N44	H47	H48	120.0°	90.0°
C12	C11	O12	N11	174.4°	90.0°
C12	C11	N11	C39	15.8°	90.0°
C12	C11	O12	FE	174.6°	90.0°
C12	C11	N11	O11	161.8°	90.0°
C11	C12	H2	H3	118.6°	90.0°
C11	C12	C13	H4	147.6°	90.0°
C11	C12	C13	H5	28.8°	90.0°
N12	C15	C16	H7	120.6°	90.0°
N12	C15	C16	H8	120.6°	90.0°
N12	C15	C16	C17	52.8°	90.0°
N12	C15	H7	H8	118.3°	90.0°
N12	C15	C16	H9	173.7°	90.0°
N12	C15	C16	H10	68.1°	90.0°
C15	C16	C17	H9	120.9°	90.0°
C15	C16	C17	H10	120.9°	90.0°
C15	C16	C17	C18	59.0°	90.0°
C16	C15	N12	H6	66.7°	90.0°
C16	C15	H7	H8	118.3°	90.0°
C15	C16	H9	H10	117.1°	90.0°
C15	C16	C17	H13	179.9°	90.0°
C15	C16	C17	H14	61.8°	90.0°
C41	C40	C39	H39	120.7°	90.0°
C41	C40	C39	H40	120.7°	90.0°
C41	C40	C39	N11	40.4°	90.0°
C41	C40	C39	H37	80.0°	90.0°
C41	C40	C39	H38	160.8°	90.0°
C41	C40	H39	H40	117.7°	90.0°
C40	C41	H41	H42	117.3°	90.0°
C40	C41	C42	H43	138.3°	90.0°
C40	C41	C42	H44	19.7°	90.0°
C16	C17	C18	H13	120.9°	90.0°
C16	C17	C18	H14	120.9°	90.0°
C16	C17	C18	C19	173.7°	90.0°
C17	C16	C15	H7	67.8°	90.0°
C17	C16	C15	H8	173.3°	90.0°
C17	C16	H9	H10	117.2°	90.0°
C16	C17	C18	H11	53.1°	90.0°
C16	C17	C18	H12	65.8°	90.0°
C16	C17	H13	H14	117.3°	90.0°
O12	C11	N11	C39	158.0°	90.0°
O12	C11	N11	O11	24.3°	90.0°
C11	O12	FE	O32	87.7°	90.0°
C11	O12	FE	O11	0.1°	90.0°
C11	O12	FE	O21	178.7°	90.0°
C11	O12	FE	O22	93.2°	90.0°
C11	O12	FE	O31	42.4°	90.0°
O12	C11	C12	H2	86.0°	90.0°
O12	C11	C12	H3	155.0°	90.0°
C11	N11	C39	C40	112.7°	90.0°
C11	N11	C39	O11	177.8°	90.0°
N11	C11	O12	FE	10.9°	90.0°
C11	N11	O11	FE	21.7°	90.0°
N11	C11	C12	H2	87.7°	90.0°
N11	C11	C12	H3	31.3°	90.0°
C11	N11	C39	H37	7.7°	90.0°
C11	N11	C39	H38	126.9°	90.0°
C40	C39	N11	H37	120.4°	90.0°
C40	C39	N11	H38	120.4°	90.0°
C40	C39	N11	O11	65.1°	90.0°
C40	C39	H37	H38	118.7°	90.0°
C39	C40	H39	H40	117.8°	90.0°
C39	C40	C41	H41	106.6°	90.0°
C39	C40	C41	H42	11.6°	90.0°
C39	N11	O11	FE	160.6°	90.0°
N11	C39	H37	H38	118.7°	90.0°
N11	C39	C40	H39	161.1°	90.0°
N11	C39	C40	H40	80.4°	90.0°
O12	FE	O11	N11	11.0°	90.0°
O12	FE	O32	O11	86.7°	90.0°
O12	FE	O32	O21	91.6°	90.0°
O12	FE	O32	O22	148.7°	90.0°
O12	FE	O32	O31	178.5°	90.0°
O12	FE	O32	C31	175.6°	90.0°
O12	FE	O11	O21	37.5°	90.0°
O12	FE	O11	O22	88.1°	90.0°
O12	FE	O11	O31	178.6°	90.0°
O12	FE	O21	O22	88.2°	90.0°
O12	FE	O21	O31	178.6°	90.0°
O12	FE	O22	O31	178.5°	90.0°
O12	FE	O21	N21	82.9°	90.0°
O12	FE	O22	C21	94.9°	90.0°
O12	FE	O31	N31	49.4°	90.0°
N11	O11	FE	O32	104.4°	90.0°
N11	O11	FE	O21	26.6°	90.0°
N11	O11	FE	O22	77.2°	90.0°
N11	O11	FE	O31	170.5°	90.0°
O11	N11	C39	H37	174.5°	90.0°
O11	N11	C39	H38	55.3°	90.0°
C17	C18	C19	H11	120.6°	90.0°
C17	C18	C19	H12	120.6°	90.0°
C17	C18	C19	N21	58.7°	90.0°
C18	C17	C16	H9	61.9°	90.0°
C18	C17	C16	H10	179.9°	90.0°
C17	C18	H11	H12	118.3°	90.0°
C18	C17	H13	H14	117.3°	90.0°
C17	C18	C19	H15	179.1°	90.0°
C17	C18	C19	H16	61.7°	90.0°
O32	FE	O11	O21	131.0°	90.0°
O32	FE	O11	O22	178.4°	90.0°
O32	FE	O11	O31	85.1°	90.0°
O32	FE	O21	O22	178.4°	90.0°
O32	FE	O21	O31	85.2°	90.0°
O32	FE	O22	O31	32.8°	90.0°
FE	O32	C31	C32	171.7°	90.0°
FE	O32	C31	N31	6.6°	90.0°
O32	FE	O21	N21	176.4°	90.0°
O32	FE	O22	C21	53.8°	90.0°
O32	FE	O31	N31	3.9°	90.0°
C31	O32	FE	O11	97.7°	90.0°
C31	O32	FE	O21	84.0°	90.0°
C31	O32	FE	O22	26.9°	90.0°
C31	O32	FE	O31	5.9°	90.0°
O32	C31	C32	N31	178.0°	90.0°
O32	C31	N31	O31	3.7°	90.0°
O32	C31	N31	C29	177.8°	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°
O11	FE	O21	O22	50.7°	90.0°
O11	FE	O21	O31	143.9°	90.0°
O11	FE	O22	O31	91.8°	90.0°
O11	FE	O21	N21	45.4°	90.0°
O11	FE	O22	C21	178.4°	90.0°
O11	FE	O31	N31	91.8°	90.0°
C18	C19	N21	O21	78.5°	90.0°
C18	C19	N21	H15	120.4°	90.0°
C18	C19	N21	H16	120.4°	90.0°
C18	C19	N21	C21	101.1°	90.0°
C19	C18	H11	H12	118.3°	90.0°
C19	C18	C17	H13	65.5°	90.0°
C19	C18	C17	H14	52.8°	90.0°
C18	C19	H15	H16	118.8°	90.0°
O21	FE	O22	O31	90.0°	90.0°
O21	FE	O22	C21	3.3°	90.0°
FE	O21	N21	C19	166.3°	90.0°
FE	O21	N21	C21	13.3°	90.0°
O21	FE	O31	N31	89.5°	90.0°
O22	FE	O21	N21	5.2°	90.0°
FE	O22	C21	N21	10.8°	90.0°
FE	O22	C21	C22	176.5°	90.0°
O22	FE	O31	N31	175.0°	90.0°
FE	O31	N31	C31	1.5°	90.0°
O31	FE	O21	N21	98.5°	90.0°
O31	FE	O22	C21	86.6°	90.0°
FE	O31	N31	C29	173.2°	90.0°
C32	C31	N31	O31	174.5°	90.0°
C32	C31	N31	C29	0.3°	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°
C31	N31	O31	C29	174.7°	90.0°
C31	N31	C29	C28	92.3°	90.0°
C31	N31	C29	H31	147.3°	90.0°
C31	N31	C29	H32	28.0°	90.0°
N31	C31	C32	H34	178.0°	90.0°
N31	C31	C32	H35	58.0°	90.0°
N31	C31	C32	H36	62.0°	90.0°
O21	N21	C21	O22	17.4°	90.0°
O21	N21	C19	C21	179.6°	90.0°
O21	N21	C21	C22	170.8°	90.0°
O21	N21	C19	H15	41.9°	90.0°
O21	N21	C19	H16	161.1°	90.0°
O22	C21	N21	C19	162.2°	90.0°
O22	C21	N21	C22	171.8°	90.0°
O22	C21	C22	C23	74.0°	90.0°
O22	C21	C22	H18	165.4°	90.0°
O22	C21	C22	H19	46.6°	90.0°
C19	N21	C21	C22	9.6°	90.0°
N21	C19	C18	H11	61.9°	90.0°
N21	C19	C18	H12	179.3°	90.0°
N21	C19	H15	H16	118.8°	90.0°
N21	C21	C22	C23	114.4°	90.0°
C21	N21	C19	H15	138.5°	90.0°
C21	N21	C19	H16	19.3°	90.0°
N21	C21	C22	H18	6.2°	90.0°
N21	C21	C22	H19	125.0°	90.0°
C21	C22	C23	H18	120.6°	90.0°
C21	C22	C23	H19	120.6°	90.0°
C21	C22	C23	C24	63.5°	90.0°
C21	C22	H18	H19	118.2°	90.0°
C21	C22	C23	H20	175.9°	90.0°
C21	C22	C23	H21	57.0°	90.0°
O31	N31	C29	C28	82.4°	90.0°
O31	N31	C29	H31	38.0°	90.0°
O31	N31	C29	H32	157.3°	90.0°
N31	C29	C28	H31	120.4°	90.0°
N31	C29	C28	H32	120.4°	90.0°
N31	C29	C28	C27	63.0°	90.0°
N31	C29	C28	H29	176.2°	90.0°
N31	C29	C28	H30	57.7°	90.0°
N31	C29	H31	H32	118.8°	90.0°
C22	C23	C24	H20	120.5°	90.0°
C22	C23	C24	H21	120.5°	90.0°
C22	C23	C24	N22	95.7°	90.0°
C22	C23	C24	O23	85.1°	90.0°
C23	C22	H18	H19	118.2°	90.0°
C22	C23	H20	H21	118.4°	90.0°
C29	C28	C27	H29	120.7°	90.0°
C29	C28	C27	H30	120.7°	90.0°
C29	C28	C27	C26	64.7°	90.0°
C29	C28	C27	H27	174.5°	90.0°
C29	C28	C27	H28	56.1°	90.0°
C29	C28	H29	H30	117.7°	90.0°
C28	C29	H31	H32	118.9°	90.0°
C23	C24	N22	O23	179.2°	90.0°
C23	C24	N22	C25	169.9°	90.0°
C24	C23	C22	H18	57.0°	90.0°
C24	C23	C22	H19	175.9°	90.0°
C24	C23	H20	H21	118.4°	90.0°
C23	C24	N22	H22	10.1°	90.0°
C28	C27	C26	H27	120.8°	90.0°
C28	C27	C26	H28	120.8°	90.0°
C28	C27	C26	C25	173.8°	90.0°
C28	C27	C26	H25	53.2°	90.0°
C28	C27	C26	H26	65.5°	90.0°
C28	C27	H27	H28	117.5°	90.0°
C27	C28	H29	H30	117.7°	90.0°
C27	C28	C29	H31	57.3°	90.0°
C27	C28	C29	H32	176.6°	90.0°
C27	C26	C25	N22	76.2°	90.0°
C27	C26	C25	H25	120.7°	90.0°
C27	C26	C25	H26	120.7°	90.0°
C27	C26	C25	H23	44.2°	90.0°
C27	C26	C25	H24	163.5°	90.0°
C27	C26	H25	H26	118.0°	90.0°
C26	C27	H27	H28	117.5°	90.0°
C26	C27	C28	H29	56.0°	90.0°
C26	C27	C28	H30	174.5°	90.0°
C24	N22	C25	H22	180.0°	90.0°
C24	N22	C25	C26	161.4°	90.0°
N22	C24	C23	H20	143.8°	90.0°
N22	C24	C23	H21	24.8°	90.0°
C24	N22	C25	H23	41.1°	90.0°
C24	N22	C25	H24	78.3°	90.0°
O23	C24	N22	C25	9.3°	90.0°
O23	C24	C23	H20	35.4°	90.0°
O23	C24	C23	H21	154.4°	90.0°
O23	C24	N22	H22	170.7°	90.0°
N22	C25	C26	H23	120.3°	90.0°
N22	C25	C26	H24	120.4°	90.0°
N22	C25	H23	H24	119.0°	90.0°
N22	C25	C26	H25	44.5°	90.0°
N22	C25	C26	H26	163.2°	90.0°
C26	C25	N22	H22	18.6°	90.0°
C26	C25	H23	H24	119.0°	90.0°
C25	C26	H25	H26	117.9°	90.0°
C25	C26	C27	H27	65.4°	90.0°
C25	C26	C27	H28	53.0°	90.0°
H2	C12	C13	H4	91.9°	90.0°
H2	C12	C13	H5	149.2°	90.0°
H3	C12	C13	H4	27.2°	90.0°
H3	C12	C13	H5	91.7°	90.0°
H6	N12	C15	H7	53.9°	90.0°
H6	N12	C15	H8	172.8°	90.0°
H7	C15	C16	H9	53.1°	90.0°
H7	C15	C16	H10	171.3°	90.0°
H8	C15	C16	H9	65.8°	90.0°
H8	C15	C16	H10	52.4°	90.0°
H9	C16	C17	H13	59.0°	90.0°
H9	C16	C17	H14	177.3°	90.0°
H10	C16	C17	H13	59.2°	90.0°
H10	C16	C17	H14	59.1°	90.0°
H11	C18	C17	H13	174.0°	90.0°
H11	C18	C17	H14	67.8°	90.0°
H11	C18	C19	H15	58.5°	90.0°
H11	C18	C19	H16	177.7°	90.0°
H12	C18	C17	H13	55.1°	90.0°
H12	C18	C17	H14	173.4°	90.0°
H12	C18	C19	H15	60.3°	90.0°
H12	C18	C19	H16	58.9°	90.0°
H18	C22	C23	H20	63.5°	90.0°
H18	C22	C23	H21	177.6°	90.0°
H19	C22	C23	H20	55.4°	90.0°
H19	C22	C23	H21	63.6°	90.0°
H22	N22	C25	H23	138.9°	90.0°
H22	N22	C25	H24	101.7°	90.0°
H23	C25	C26	H25	164.8°	90.0°
H23	C25	C26	H26	76.5°	90.0°
H24	C25	C26	H25	75.9°	90.0°
H24	C25	C26	H26	42.8°	90.0°
H25	C26	C27	H27	173.9°	90.0°
H25	C26	C27	H28	67.6°	90.0°
H26	C26	C27	H27	55.3°	90.0°
H26	C26	C27	H28	173.7°	90.0°
H27	C27	C28	H29	64.8°	90.0°
H27	C27	C28	H30	53.7°	90.0°
H28	C27	C28	H29	176.8°	90.0°
H28	C27	C28	H30	64.7°	90.0°
H29	C28	C29	H31	63.4°	90.0°
H29	C28	C29	H32	55.9°	90.0°
H30	C28	C29	H31	178.0°	90.0°
H30	C28	C29	H32	62.7°	90.0°
H34	C32	H35	H36	120.0°	90.0°
H37	C39	C40	H39	40.7°	90.0°
H37	C39	C40	H40	159.3°	90.0°
H38	C39	C40	H39	78.5°	90.0°
H38	C39	C40	H40	40.1°	90.0°
H39	C40	C41	H41	132.6°	90.0°
H39	C40	C41	H42	109.1°	90.0°
H40	C40	C41	H41	14.1°	90.0°
H40	C40	C41	H42	132.4°	90.0°
H41	C41	C42	H43	100.9°	90.0°
H41	C41	C42	H44	140.6°	90.0°
H42	C41	C42	H43	17.4°	90.0°
H42	C41	C42	H44	101.2°	90.0°
H43	C42	C43	H45	85.7°	90.0°
H43	C42	C43	H46	33.1°	90.0°
H44	C42	C43	H45	32.9°	90.0°
H44	C42	C43	H46	151.7°	90.0°
H45	C43	N44	H47	59.4°	90.0°
H45	C43	N44	H48	179.4°	90.0°
H46	C43	N44	H47	59.4°	90.0°
H46	C43	N44	H48	60.6°	90.0°

Release date:	2018-05-02
Definition date:	2017-10-05
Last modified:	2018-04-27
Release status:	REL
Processing site:	EBI
Derived from:	6ENK