AT6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C1	doub	1.38Å	1.43Å	Aromatic
C2	C3	sing	1.39Å	1.41Å	Aromatic
C2	C9	sing	1.51Å	1.52Å
C1	C6	sing	1.39Å	1.43Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C6	N5	doub	1.32Å	1.37Å	Aromatic
C6	N7	sing	1.39Å	1.35Å
N5	C4	sing	1.32Å	1.38Å	Aromatic
C4	C3	doub	1.38Å	1.41Å	Aromatic
C4	C10	sing	1.51Å	1.52Å
C3	H3	sing	1.08Å	1.08Å
C10	C11	sing	1.53Å	1.56Å
C10	H101	sing	1.09Å	1.10Å
C10	H102	sing	1.09Å	1.10Å
C11	N12	sing	1.47Å	1.47Å
C11	H111	sing	1.09Å	1.10Å
C11	H112	sing	1.09Å	1.10Å
N12	C24	sing	1.35Å	1.36Å
N12	HN12	sing	0.97Å	1.00Å
C24	O25	doub	1.22Å	1.23Å
C24	C26	sing	1.48Å	1.50Å
C26	C27	sing	1.40Å	1.42Å	Aromatic
C26	C31	doub	1.40Å	1.43Å	Aromatic
C27	C28	doub	1.38Å	1.41Å	Aromatic
C27	H27	sing	1.08Å	1.08Å
C28	C29	sing	1.40Å	1.42Å	Aromatic
C28	H28	sing	1.08Å	1.08Å
C29	C30	doub	1.40Å	1.43Å	Aromatic
C29	C32	sing	1.43Å	1.41Å
C30	C31	sing	1.38Å	1.42Å	Aromatic
C30	H30	sing	1.08Å	1.08Å
C31	H31	sing	1.08Å	1.08Å
C32	N33	trip	1.14Å	1.14Å
N7	HN71	sing	0.97Å	1.00Å
N7	HN72	sing	0.97Å	1.00Å
C9	H91	sing	1.09Å	1.10Å
C9	H92	sing	1.09Å	1.10Å
C9	H93	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	118.9°	118.5°
C1	C2	C9	121.4°	120.8°
C2	C1	C6	120.0°	119.1°
C2	C1	H1	120.0°	120.5°
C3	C2	C9	119.6°	120.7°
C2	C3	C4	119.6°	119.3°
C2	C3	H3	120.2°	120.4°
C2	C9	H91	109.4°	109.5°
C2	C9	H92	109.4°	109.5°
C2	C9	H93	109.5°	109.4°
C6	C1	H1	120.0°	120.4°
C1	C6	N5	118.9°	120.6°
C1	C6	N7	120.4°	119.7°
N5	C6	N7	120.6°	119.7°
C6	N5	C4	122.3°	121.6°
C6	N7	HN71	125.4°	120.0°
C6	N7	HN72	109.2°	120.0°
N5	C4	C3	120.2°	120.9°
N5	C4	C10	120.0°	119.5°
C3	C4	C10	119.8°	119.6°
C4	C3	H3	120.2°	120.3°
C4	C10	C11	117.0°	109.5°
C4	C10	H101	105.3°	109.5°
C4	C10	H102	107.0°	109.5°
C11	C10	H101	105.3°	109.5°
C11	C10	H102	107.1°	109.5°
C10	C11	N12	107.3°	109.5°
C10	C11	H111	110.7°	109.5°
C10	C11	H112	110.2°	109.5°
H101	C10	H102	115.6°	109.4°
N12	C11	H111	110.7°	109.5°
N12	C11	H112	110.2°	109.5°
C11	N12	C24	120.9°	120.0°
C11	N12	HN12	119.6°	120.0°
H111	C11	H112	107.8°	109.5°
C24	N12	HN12	119.5°	120.0°
N12	C24	O25	121.8°	120.0°
N12	C24	C26	121.9°	120.0°
O25	C24	C26	116.2°	120.0°
C24	C26	C27	119.5°	120.0°
C24	C26	C31	120.1°	120.0°
C27	C26	C31	120.3°	120.0°
C26	C27	C28	119.8°	120.0°
C26	C27	H27	120.1°	120.0°
C26	C31	C30	119.8°	120.0°
C26	C31	H31	120.1°	120.0°
C28	C27	H27	120.1°	120.0°
C27	C28	C29	120.0°	120.0°
C27	C28	H28	120.0°	120.0°
C29	C28	H28	120.0°	120.0°
C28	C29	C30	121.0°	120.0°
C28	C29	C32	118.0°	120.0°
C30	C29	C32	121.0°	120.0°
C29	C30	C31	119.1°	120.0°
C29	C30	H30	120.4°	120.0°
C29	C32	N33	178.2°	180.0°
C31	C30	H30	120.4°	120.0°
C30	C31	H31	120.1°	120.0°
HN71	N7	HN72	125.4°	120.0°
H91	C9	H92	109.5°	109.5°
H91	C9	H93	109.4°	109.5°
H92	C9	H93	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	C9	179.9°	179.8°
C2	C1	C6	H1	180.0°	179.9°
C2	C1	C6	N5	0.2°	0.1°
C2	C1	C6	N7	179.9°	180.0°
C1	C2	C3	C4	0.4°	0.4°
C1	C2	C3	H3	179.6°	179.9°
C1	C2	C9	H91	31.9°	89.9°
C1	C2	C9	H92	88.2°	150.0°
C1	C2	C9	H93	151.8°	30.1°
C3	C2	C1	C6	0.4°	0.2°
C3	C2	C1	H1	179.6°	179.8°
C2	C3	C4	N5	0.3°	0.5°
C2	C3	C4	H3	180.0°	179.5°
C2	C3	C4	C10	179.3°	179.8°
C3	C2	C9	H91	148.1°	90.3°
C3	C2	C9	H92	91.9°	29.8°
C3	C2	C9	H93	28.1°	149.7°
C9	C2	C1	C6	179.5°	180.0°
C9	C2	C1	H1	0.5°	0.1°
C9	C2	C3	C4	179.5°	179.7°
C9	C2	C3	H3	0.4°	0.2°
C2	C9	H91	H92	120.0°	120.1°
C2	C9	H91	H93	120.0°	120.0°
C2	C9	H92	H93	120.0°	120.0°
C1	C6	N5	N7	179.9°	180.0°
C1	C6	N5	C4	0.9°	0.0°
C1	C6	N7	HN71	0.0°	0.0°
C1	C6	N7	HN72	180.0°	179.9°
H1	C1	C6	N5	179.8°	180.0°
H1	C1	C6	N7	0.1°	0.0°
C6	N5	C4	C3	0.9°	0.3°
C6	N5	C4	C10	178.7°	180.0°
N5	C6	N7	HN71	179.9°	180.0°
N5	C6	N7	HN72	0.1°	0.1°
N7	C6	N5	C4	179.2°	180.0°
C6	N7	HN71	HN72	180.0°	179.9°
N5	C4	C3	C10	179.6°	179.7°
N5	C4	C3	H3	179.7°	180.0°
N5	C4	C10	C11	142.3°	55.0°
N5	C4	C10	H101	101.2°	65.0°
N5	C4	C10	H102	22.3°	175.1°
C3	C4	C10	C11	38.1°	125.3°
C3	C4	C10	H101	78.4°	114.7°
C3	C4	C10	H102	158.1°	5.2°
C10	C4	C3	H3	0.7°	0.3°
C4	C10	C11	H101	116.5°	120.0°
C4	C10	C11	H102	120.0°	120.0°
C4	C10	H101	H102	117.9°	120.0°
C4	C10	C11	N12	174.3°	180.0°
C4	C10	C11	H111	53.4°	60.0°
C4	C10	C11	H112	65.7°	60.0°
C11	C10	H101	H102	117.9°	120.0°
C10	C11	N12	H111	120.9°	120.0°
C10	C11	N12	H112	120.0°	120.0°
C10	C11	H111	H112	120.5°	120.0°
C10	C11	N12	C24	78.6°	180.0°
C10	C11	N12	HN12	101.4°	0.0°
H101	C10	C11	N12	69.2°	60.0°
H101	C10	C11	H111	170.0°	180.0°
H101	C10	C11	H112	50.8°	60.0°
H102	C10	C11	N12	54.3°	60.0°
H102	C10	C11	H111	66.6°	60.0°
H102	C10	C11	H112	174.3°	180.0°
N12	C11	H111	H112	120.6°	120.0°
C11	N12	C24	HN12	180.0°	180.0°
C11	N12	C24	O25	0.6°	0.0°
C11	N12	C24	C26	178.2°	180.0°
H111	C11	N12	C24	42.2°	60.0°
H111	C11	N12	HN12	137.8°	120.0°
H112	C11	N12	C24	161.4°	60.0°
H112	C11	N12	HN12	18.6°	120.0°
N12	C24	O25	C26	178.8°	179.9°
N12	C24	C26	C27	159.4°	0.2°
N12	C24	C26	C31	21.7°	180.0°
HN12	N12	C24	O25	179.4°	180.0°
HN12	N12	C24	C26	1.8°	0.0°
O25	C24	C26	C27	21.8°	179.7°
O25	C24	C26	C31	157.1°	0.0°
C24	C26	C27	C31	179.0°	179.8°
C24	C26	C27	C28	179.1°	179.7°
C24	C26	C27	H27	0.9°	0.2°
C24	C26	C31	C30	179.0°	180.0°
C24	C26	C31	H31	1.0°	0.0°
C26	C27	C28	H27	180.0°	179.5°
C26	C27	C28	C29	0.1°	0.5°
C26	C27	C28	H28	179.9°	179.7°
C27	C26	C31	C30	0.0°	0.3°
C27	C26	C31	H31	180.0°	179.8°
C31	C26	C27	C28	0.1°	0.5°
C31	C26	C27	H27	179.9°	180.0°
C26	C31	C30	C29	0.0°	0.0°
C26	C31	C30	H31	180.0°	180.0°
C26	C31	C30	H30	180.0°	180.0°
C27	C28	C29	H28	180.0°	179.8°
C27	C28	C29	C30	0.1°	0.3°
C27	C28	C29	C32	179.9°	179.8°
H27	C27	C28	C29	179.8°	180.0°
H27	C27	C28	H28	0.2°	0.2°
C28	C29	C30	C32	180.0°	180.0°
C28	C29	C30	C31	0.0°	0.0°
C28	C29	C30	H30	180.0°	180.0°
C28	C29	C32	N33	7.0°	147.7°
H28	C28	C29	C30	179.9°	180.0°
H28	C28	C29	C32	0.1°	0.0°
C29	C30	C31	H30	180.0°	180.0°
C29	C30	C31	H31	180.0°	180.0°
C30	C29	C32	N33	173.0°	32.3°
C32	C29	C30	C31	180.0°	180.0°
C32	C29	C30	H30	0.0°	0.0°
H30	C30	C31	H31	0.0°	0.0°
H91	C9	H92	H93	120.0°	120.0°

Definition date:	2005-12-16
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB