OZN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C28	C27	sing	0.00Å	1.41Å
C28	N29	doub	0.00Å	1.31Å
C23	C24	doub	0.00Å	1.37Å
C23	N22	sing	0.00Å	1.33Å
C27	C25	doub	0.00Å	1.45Å
C27	C31	sing	0.00Å	1.37Å
C3	C2	sing	0.00Å	1.43Å	Aromatic
C3	C4	doub	0.00Å	1.34Å	Aromatic
C3	N20	sing	0.00Å	1.34Å
C24	C25	sing	0.00Å	1.38Å
C24	CL36	sing	0.00Å	1.71Å
C25	N26	sing	0.00Å	1.32Å
C31	C32	sing	0.00Å	1.40Å	Aromatic
C31	N30	doub	0.00Å	1.40Å	Aromatic
C2	C1	sing	0.00Å	1.50Å
C2	N6	doub	0.00Å	1.33Å	Aromatic
C4	C19	sing	0.00Å	1.50Å
C4	N5	sing	0.00Å	1.34Å	Aromatic
C21	N22	doub	0.00Å	1.33Å
C21	N26	sing	0.00Å	1.34Å
C21	N20	sing	0.00Å	1.37Å
C32	C33	doub	0.00Å	1.37Å	Aromatic
C33	C34	sing	0.00Å	1.37Å	Aromatic
C34	C35	doub	0.00Å	1.38Å	Aromatic
C35	N30	sing	0.00Å	1.36Å	Aromatic
C14	C13	sing	0.00Å	1.52Å
C14	N16	sing	0.00Å	1.34Å
C14	O15	doub	0.00Å	1.22Å
C8	C9	sing	0.00Å	1.49Å
C8	C7	sing	0.00Å	1.47Å
C12	C11	sing	0.00Å	1.49Å
C12	C7	sing	0.00Å	1.48Å
C9	N10	sing	0.00Å	1.51Å
C11	N10	sing	0.00Å	1.50Å
C7	N5	sing	0.00Å	1.47Å
C17	N16	sing	0.00Å	1.44Å
C18	N16	sing	0.00Å	1.43Å
C13	N10	sing	0.00Å	1.46Å
N29	N30	sing	0.00Å	1.37Å
N6	N5	sing	0.00Å	1.38Å	Aromatic
C28	H28	sing	0.00Å	1.08Å
C23	H23	sing	0.00Å	1.08Å
N20	H20	sing	0.00Å	1.00Å
N26	H26	sing	0.00Å	1.00Å
C32	H32	sing	0.00Å	1.08Å
C1	H11C	sing	0.00Å	1.10Å
C1	H12C	sing	0.00Å	1.10Å
C1	H13C	sing	0.00Å	1.10Å
C19	H191	sing	0.00Å	1.10Å
C19	H192	sing	0.00Å	1.10Å
C19	H193	sing	0.00Å	1.10Å
C33	H33	sing	0.00Å	1.08Å
C34	H34	sing	0.00Å	1.08Å
C35	H35	sing	0.00Å	1.08Å
C13	H131	sing	0.00Å	1.10Å
C13	H132	sing	0.00Å	1.10Å
C8	H81C	sing	0.00Å	1.10Å
C8	H82C	sing	0.00Å	1.10Å
C9	H91C	sing	0.00Å	1.10Å
C9	H92C	sing	0.00Å	1.10Å
C7	H7	sing	0.00Å	1.10Å
C12	H121	sing	0.00Å	1.10Å
C12	H122	sing	0.00Å	1.10Å
C11	H111	sing	0.00Å	1.10Å
C11	H112	sing	0.00Å	1.10Å
C17	H171	sing	0.00Å	1.10Å
C17	H172	sing	0.00Å	1.10Å
C17	H173	sing	0.00Å	1.10Å
C18	H181	sing	0.00Å	1.10Å
C18	H182	sing	0.00Å	1.10Å
C18	H183	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C27	C28	N29	113.1°	90.0°
C28	C27	C25	131.7°	90.0°
C28	C27	C31	103.9°	90.0°
C27	C28	H28	123.4°	90.0°
C28	N29	N30	105.7°	90.0°
N29	C28	H28	123.4°	90.0°
C24	C23	N22	122.7°	90.0°
C23	C24	C25	118.4°	90.0°
C23	C24	CL36	118.4°	90.0°
C24	C23	H23	118.7°	90.0°
C23	N22	C21	114.4°	90.0°
N22	C23	H23	118.7°	90.0°
C25	C27	C31	124.4°	90.0°
C27	C25	C24	123.9°	90.0°
C27	C25	N26	115.6°	90.0°
C27	C31	C32	134.9°	90.0°
C27	C31	N30	107.8°	90.0°
C2	C3	C4	105.4°	90.0°
C2	C3	N20	126.3°	90.0°
C3	C2	C1	131.1°	90.0°
C3	C2	N6	109.8°	90.0°
C4	C3	N20	128.3°	90.0°
C3	C4	C19	128.7°	90.0°
C3	C4	N5	108.8°	90.0°
C3	N20	C21	125.1°	90.0°
C3	N20	H20	117.5°	90.0°
C25	C24	CL36	123.2°	90.0°
C24	C25	N26	120.5°	90.0°
C25	N26	C21	116.5°	90.0°
C25	N26	H26	121.8°	90.0°
C32	C31	N30	117.3°	90.0°
C31	C32	C33	120.7°	90.0°
C31	C32	H32	119.7°	90.0°
C31	N30	C35	121.2°	90.0°
C31	N30	N29	109.5°	90.0°
C1	C2	N6	119.1°	90.0°
C2	C1	H11C	109.5°	90.0°
C2	C1	H12C	109.4°	90.0°
C2	C1	H13C	109.5°	90.0°
C2	N6	N5	104.9°	90.0°
C19	C4	N5	122.0°	90.0°
C4	C19	H191	109.5°	90.0°
C4	C19	H192	109.5°	90.0°
C4	C19	H193	109.5°	90.0°
C4	N5	C7	127.4°	90.0°
C4	N5	N6	110.9°	90.0°
N22	C21	N26	127.6°	90.0°
N22	C21	N20	114.1°	90.0°
N26	C21	N20	118.3°	90.0°
C21	N26	H26	121.7°	90.0°
C21	N20	H20	117.5°	90.0°
C32	C33	C34	120.9°	90.0°
C33	C32	H32	119.7°	90.0°
C32	C33	H33	119.5°	90.0°
C33	C34	C35	119.2°	90.0°
C34	C33	H33	119.6°	90.0°
C33	C34	H34	120.4°	90.0°
C34	C35	N30	120.6°	90.0°
C35	C34	H34	120.4°	90.0°
C34	C35	H35	119.7°	90.0°
C35	N30	N29	129.2°	90.0°
N30	C35	H35	119.7°	90.0°
C13	C14	N16	115.9°	90.0°
C13	C14	O15	123.2°	90.0°
C14	C13	N10	110.6°	90.0°
C14	C13	H131	109.2°	90.0°
C14	C13	H132	109.2°	90.0°
N16	C14	O15	120.9°	90.0°
C14	N16	C17	119.9°	90.0°
C14	N16	C18	120.3°	90.0°
C9	C8	C7	109.6°	90.0°
C8	C9	N10	113.7°	90.0°
C9	C8	H81C	109.4°	90.0°
C9	C8	H82C	109.4°	90.0°
C8	C9	H91C	108.4°	90.0°
C8	C9	H92C	108.4°	90.0°
C8	C7	C12	107.9°	90.0°
C8	C7	N5	115.1°	90.0°
C7	C8	H81C	109.4°	90.0°
C7	C8	H82C	109.4°	90.0°
C8	C7	H7	106.6°	90.0°
C11	C12	C7	109.6°	90.0°
C12	C11	N10	112.4°	90.0°
C11	C12	H121	109.4°	90.0°
C11	C12	H122	109.4°	90.0°
C12	C11	H111	108.7°	90.0°
C12	C11	H112	108.7°	90.0°
C12	C7	N5	113.5°	90.0°
C12	C7	H7	106.5°	90.0°
C7	C12	H121	109.5°	90.0°
C7	C12	H122	109.4°	90.0°
C9	N10	C11	109.6°	90.0°
C9	N10	C13	112.3°	90.0°
N10	C9	H91C	108.4°	90.0°
N10	C9	H92C	108.4°	90.0°
C11	N10	C13	111.5°	90.0°
N10	C11	H111	108.8°	90.0°
N10	C11	H112	108.7°	90.0°
C7	N5	N6	121.2°	90.0°
N5	C7	H7	106.6°	90.0°
C17	N16	C18	119.7°	90.0°
N16	C17	H171	109.5°	90.0°
N16	C17	H172	109.5°	90.0°
N16	C17	H173	109.5°	90.0°
N16	C18	H181	109.5°	90.0°
N16	C18	H182	109.5°	90.0°
N16	C18	H183	109.5°	90.0°
N10	C13	H131	109.2°	90.0°
N10	C13	H132	109.2°	90.0°
H11C	C1	H12C	109.5°	90.0°
H11C	C1	H13C	109.4°	90.0°
H12C	C1	H13C	109.5°	90.0°
H191	C19	H192	109.4°	90.0°
H191	C19	H193	109.5°	90.0°
H192	C19	H193	109.4°	90.0°
H131	C13	H132	109.5°	90.0°
H81C	C8	H82C	109.5°	90.0°
H91C	C9	H92C	109.5°	90.0°
H121	C12	H122	109.5°	90.0°
H111	C11	H112	109.5°	90.0°
H171	C17	H172	109.5°	90.0°
H171	C17	H173	109.5°	90.0°
H172	C17	H173	109.4°	90.0°
H181	C18	H182	109.4°	90.0°
H181	C18	H183	109.4°	90.0°
H182	C18	H183	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C27	C28	N29	H28	180.0°	90.0°
C28	C27	C25	C31	176.4°	90.0°
C28	C27	C25	C24	16.5°	90.0°
C28	C27	C25	N26	162.1°	90.0°
C28	C27	C31	C32	180.0°	90.0°
C28	C27	C31	N30	0.4°	90.0°
C27	C28	N29	N30	0.1°	90.0°
N29	C28	C27	C25	177.2°	90.0°
N29	C28	C27	C31	0.3°	90.0°
C28	N29	N30	C31	0.2°	90.0°
C28	N29	N30	C35	179.4°	90.0°
C24	C23	N22	H23	180.0°	90.0°
C23	C24	C25	C27	179.3°	90.0°
C23	C24	C25	CL36	179.9°	90.0°
C23	C24	C25	N26	0.8°	90.0°
C24	C23	N22	C21	0.5°	90.0°
N22	C23	C24	C25	1.0°	90.0°
N22	C23	C24	CL36	178.9°	90.0°
C23	N22	C21	N26	0.1°	90.0°
C23	N22	C21	N20	179.3°	90.0°
C27	C25	C24	N26	178.5°	90.0°
C27	C25	C24	CL36	0.6°	90.0°
C25	C27	C31	C32	2.8°	90.0°
C25	C27	C31	N30	177.6°	90.0°
C27	C25	N26	C21	178.8°	90.0°
C25	C27	C28	H28	2.8°	90.0°
C27	C25	N26	H26	1.2°	90.0°
C31	C27	C25	C24	167.1°	90.0°
C31	C27	C25	N26	14.3°	90.0°
C27	C31	C32	N30	179.5°	90.0°
C27	C31	C32	C33	179.9°	90.0°
C27	C31	N30	C35	179.7°	90.0°
C27	C31	N30	N29	0.4°	90.0°
C31	C27	C28	H28	179.7°	90.0°
C27	C31	C32	H32	0.1°	90.0°
C2	C3	C4	N20	179.8°	90.0°
C3	C2	C1	N6	179.1°	90.0°
C2	C3	C4	C19	171.5°	90.0°
C2	C3	C4	N5	0.9°	90.0°
C2	C3	N20	C21	49.0°	90.0°
C3	C2	N6	N5	0.7°	90.0°
C2	C3	N20	H20	131.1°	90.0°
C3	C2	C1	H11C	179.1°	90.0°
C3	C2	C1	H12C	59.1°	90.0°
C3	C2	C1	H13C	60.9°	90.0°
C4	C3	C2	C1	179.0°	90.0°
C4	C3	C2	N6	0.1°	90.0°
C3	C4	C19	N5	171.5°	90.0°
C4	C3	N20	C21	131.3°	90.0°
C3	C4	N5	C7	174.1°	90.0°
C3	C4	N5	N6	1.4°	90.0°
C4	C3	N20	H20	48.7°	90.0°
C3	C4	C19	H191	85.2°	90.0°
C3	C4	C19	H192	154.8°	90.0°
C3	C4	C19	H193	34.8°	90.0°
N20	C3	C2	C1	0.8°	90.0°
N20	C3	C2	N6	179.9°	90.0°
N20	C3	C4	C19	8.3°	90.0°
N20	C3	C4	N5	179.3°	90.0°
C3	N20	C21	N22	176.6°	90.0°
C3	N20	C21	N26	2.9°	90.0°
C3	N20	C21	H20	180.0°	90.0°
C24	C25	N26	C21	0.2°	90.0°
C25	C24	C23	H23	179.0°	90.0°
C24	C25	N26	H26	179.8°	90.0°
CL36	C24	C25	N26	179.1°	90.0°
CL36	C24	C23	H23	1.1°	90.0°
C25	N26	C21	N22	0.3°	90.0°
C25	N26	C21	H26	180.0°	90.0°
C25	N26	C21	N20	179.1°	90.0°
C31	C32	C33	H32	180.0°	90.0°
C31	C32	C33	C34	0.2°	90.0°
C32	C31	N30	C35	0.7°	90.0°
C32	C31	N30	N29	179.9°	90.0°
C31	C32	C33	H33	179.8°	90.0°
N30	C31	C32	C33	0.4°	90.0°
C31	N30	C35	C34	0.5°	90.0°
C31	N30	C35	N29	179.1°	90.0°
N30	C31	C32	H32	179.7°	90.0°
C31	N30	C35	H35	179.5°	90.0°
C1	C2	N6	N5	179.9°	90.0°
C2	C1	H11C	H12C	120.0°	90.0°
C2	C1	H11C	H13C	120.0°	90.0°
C2	C1	H12C	H13C	120.0°	90.0°
C2	N6	N5	C4	1.3°	90.0°
C2	N6	N5	C7	174.5°	90.0°
N6	C2	C1	H11C	0.0°	90.0°
N6	C2	C1	H12C	120.0°	90.0°
N6	C2	C1	H13C	120.0°	90.0°
C19	C4	N5	C7	1.1°	90.0°
C19	C4	N5	N6	171.6°	90.0°
C4	C19	H191	H192	120.0°	90.0°
C4	C19	H191	H193	120.1°	90.0°
C4	C19	H192	H193	120.0°	90.0°
C4	N5	C7	C8	144.1°	90.0°
C4	N5	C7	C12	90.8°	90.0°
C4	N5	C7	N6	172.1°	90.0°
N5	C4	C19	H191	86.3°	90.0°
N5	C4	C19	H192	33.7°	90.0°
N5	C4	C19	H193	153.7°	90.0°
C4	N5	C7	H7	26.1°	90.0°
N22	C21	N26	N20	179.4°	90.0°
C21	N22	C23	H23	179.5°	90.0°
N22	C21	N20	H20	3.4°	90.0°
N22	C21	N26	H26	179.7°	90.0°
N26	C21	N20	H20	177.1°	90.0°
N20	C21	N26	H26	0.9°	90.0°
C32	C33	C34	H33	180.0°	90.0°
C32	C33	C34	C35	0.4°	90.0°
C32	C33	C34	H34	179.6°	90.0°
C33	C34	C35	H34	180.0°	90.0°
C33	C34	C35	N30	0.0°	90.0°
C34	C33	C32	H32	179.8°	90.0°
C33	C34	C35	H35	179.9°	90.0°
C34	C35	N30	H35	180.0°	90.0°
C34	C35	N30	N29	179.6°	90.0°
C35	C34	C33	H33	179.6°	90.0°
N30	C35	C34	H34	180.0°	90.0°
C13	C14	N16	O15	179.6°	90.0°
C14	C13	N10	C9	140.3°	90.0°
C14	C13	N10	C11	96.2°	90.0°
C13	C14	N16	C17	179.9°	90.0°
C13	C14	N16	C18	0.2°	90.0°
C14	C13	N10	H131	120.2°	90.0°
C14	C13	N10	H132	120.2°	90.0°
C14	C13	H131	H132	119.5°	90.0°
C14	N16	C17	C18	179.9°	90.0°
N16	C14	C13	N10	34.3°	90.0°
N16	C14	C13	H131	85.8°	90.0°
N16	C14	C13	H132	154.5°	90.0°
C14	N16	C17	H171	180.0°	90.0°
C14	N16	C17	H172	60.0°	90.0°
C14	N16	C17	H173	60.0°	90.0°
C14	N16	C18	H181	180.0°	90.0°
C14	N16	C18	H182	60.0°	90.0°
C14	N16	C18	H183	60.0°	90.0°
O15	C14	N16	C17	0.3°	90.0°
O15	C14	N16	C18	179.8°	90.0°
O15	C14	C13	N10	145.2°	90.0°
O15	C14	C13	H131	94.6°	90.0°
O15	C14	C13	H132	25.1°	90.0°
C9	C8	C7	H81C	120.0°	90.0°
C9	C8	C7	H82C	120.0°	90.0°
C9	C8	C7	C12	62.4°	90.0°
C8	C9	N10	H91C	120.7°	90.0°
C8	C9	N10	H92C	120.6°	90.0°
C8	C9	N10	C11	49.2°	90.0°
C9	C8	C7	N5	169.6°	90.0°
C8	C9	N10	C13	75.3°	90.0°
C9	C8	H81C	H82C	119.9°	90.0°
C8	C9	H91C	H92C	118.1°	90.0°
C9	C8	C7	H7	51.7°	90.0°
C8	C7	C12	C11	64.3°	90.0°
C8	C7	C12	N5	128.9°	90.0°
C8	C7	C12	H7	114.1°	90.0°
C7	C8	C9	N10	56.3°	90.0°
C8	C7	N5	H7	117.9°	90.0°
C8	C7	N5	N6	43.9°	90.0°
C7	C8	H81C	H82C	120.0°	90.0°
C7	C8	C9	H91C	177.0°	90.0°
C7	C8	C9	H92C	64.3°	90.0°
C8	C7	C12	H121	55.8°	90.0°
C8	C7	C12	H122	175.7°	90.0°
C11	C12	C7	H121	120.0°	90.0°
C11	C12	C7	H122	120.0°	90.0°
C12	C11	N10	C9	50.2°	90.0°
C12	C11	N10	H111	120.4°	90.0°
C12	C11	N10	H112	120.4°	90.0°
C11	C12	C7	N5	166.9°	90.0°
C12	C11	N10	C13	74.8°	90.0°
C11	C12	C7	H7	49.8°	90.0°
C11	C12	H121	H122	119.9°	90.0°
C12	C11	H111	H112	118.7°	90.0°
C7	C12	C11	N10	59.2°	90.0°
C12	C7	N5	H7	116.9°	90.0°
C12	C7	N5	N6	81.3°	90.0°
C12	C7	C8	H81C	177.6°	90.0°
C12	C7	C8	H82C	57.6°	90.0°
C7	C12	H121	H122	119.9°	90.0°
C7	C12	C11	H111	61.2°	90.0°
C7	C12	C11	H112	179.7°	90.0°
C9	N10	C11	C13	125.0°	90.0°
C9	N10	C13	H131	20.1°	90.0°
C9	N10	C13	H132	99.5°	90.0°
N10	C9	C8	H81C	176.3°	90.0°
N10	C9	C8	H82C	63.7°	90.0°
N10	C9	H91C	H92C	118.0°	90.0°
C9	N10	C11	H111	70.3°	90.0°
C9	N10	C11	H112	170.6°	90.0°
C11	N10	C13	H131	143.6°	90.0°
C11	N10	C13	H132	24.0°	90.0°
C11	N10	C9	H91C	169.8°	90.0°
C11	N10	C9	H92C	71.5°	90.0°
N10	C11	C12	H121	60.8°	90.0°
N10	C11	C12	H122	179.2°	90.0°
N10	C11	H111	H112	118.7°	90.0°
N5	C7	C8	H81C	49.7°	90.0°
N5	C7	C8	H82C	70.4°	90.0°
N5	C7	C12	H121	73.1°	90.0°
N5	C7	C12	H122	46.8°	90.0°
N16	C17	H171	H172	120.0°	90.0°
N16	C17	H171	H173	120.0°	90.0°
N16	C17	H172	H173	120.0°	90.0°
C17	N16	C18	H181	0.1°	90.0°
C17	N16	C18	H182	119.9°	90.0°
C17	N16	C18	H183	120.1°	90.0°
C18	N16	C17	H171	0.1°	90.0°
C18	N16	C17	H172	120.1°	90.0°
C18	N16	C17	H173	119.9°	90.0°
N16	C18	H181	H182	120.0°	90.0°
N16	C18	H181	H183	120.0°	90.0°
N16	C18	H182	H183	120.0°	90.0°
N10	C13	H131	H132	119.5°	90.0°
C13	N10	C9	H91C	45.3°	90.0°
C13	N10	C9	H92C	164.0°	90.0°
C13	N10	C11	H111	164.8°	90.0°
C13	N10	C11	H112	45.6°	90.0°
N30	N29	C28	H28	180.0°	90.0°
N29	N30	C35	H35	0.5°	90.0°
N6	N5	C7	H7	161.8°	90.0°
H32	C32	C33	H33	0.2°	90.0°
H11C	C1	H12C	H13C	120.0°	90.0°
H191	C19	H192	H193	120.0°	90.0°
H33	C33	C34	H34	0.4°	90.0°
H34	C34	C35	H35	0.1°	90.0°
H81C	C8	C9	H91C	63.0°	90.0°
H81C	C8	C9	H92C	55.7°	90.0°
H81C	C8	C7	H7	68.3°	90.0°
H82C	C8	C9	H91C	57.0°	90.0°
H82C	C8	C9	H92C	175.7°	90.0°
H82C	C8	C7	H7	171.7°	90.0°
H7	C7	C12	H121	169.8°	90.0°
H7	C7	C12	H122	70.2°	90.0°
H121	C12	C11	H111	178.7°	90.0°
H121	C12	C11	H112	59.6°	90.0°
H122	C12	C11	H111	58.8°	90.0°
H122	C12	C11	H112	60.3°	90.0°
H171	C17	H172	H173	120.0°	90.0°
H181	C18	H182	H183	119.9°	90.0°

Release date:	2016-10-19
Definition date:	2016-03-02
Last modified:	2016-10-14
Release status:	REL
Processing site:	EBI
Derived from:	5FXS