VIA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C34	C33	sing	1.53Å	1.50Å
C34	H341	sing	1.09Å	1.11Å
C34	H342	sing	1.09Å	1.12Å
C34	H343	sing	1.09Å	1.12Å
C33	C32	sing	1.53Å	1.57Å
C33	H331	sing	1.09Å	1.12Å
C33	H332	sing	1.09Å	1.12Å
C32	C30	sing	1.51Å	1.49Å
C32	H321	sing	1.09Å	1.12Å
C32	H322	sing	1.09Å	1.11Å
C30	N29	doub	1.31Å	1.40Å	Aromatic
C30	C25	sing	1.41Å	1.37Å	Aromatic
N29	N28	sing	1.40Å	1.36Å	Aromatic
N28	C31	sing	1.46Å	1.47Å
N28	C24	sing	1.37Å	1.37Å	Aromatic
C31	H311	sing	1.09Å	1.11Å
C31	H312	sing	1.09Å	1.12Å
C31	H313	sing	1.09Å	1.12Å
C24	C23	sing	1.41Å	1.44Å	Aromatic
C24	C25	doub	1.40Å	1.43Å	Aromatic
C23	O27	doub	1.22Å	1.21Å
C23	N22	sing	1.35Å	1.39Å	Aromatic
N22	C21	sing	1.37Å	1.40Å	Aromatic
N22	H22	sing	0.97Å	1.02Å
C21	N26	doub	1.31Å	1.40Å	Aromatic
C21	C9	sing	1.48Å	1.42Å	Aromatic
N26	C25	sing	1.35Å	1.42Å	Aromatic
C9	C8	doub	1.40Å	1.45Å	Aromatic
C9	C4	sing	1.40Å	1.50Å	Aromatic
C8	C7	sing	1.38Å	1.46Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
C7	C6	doub	1.38Å	1.50Å	Aromatic
C7	S10	sing	1.76Å	1.60Å
C6	C5	sing	1.38Å	1.46Å	Aromatic
C6	H6	sing	1.08Å	1.10Å
C5	C4	doub	1.39Å	1.48Å	Aromatic
C5	H5	sing	1.08Å	1.10Å
C4	O3	sing	1.36Å	1.45Å
O3	C2	sing	1.43Å	1.44Å
C2	C1	sing	1.53Å	1.52Å
C2	H21	sing	1.09Å	1.11Å
C2	H22A	sing	1.09Å	1.12Å
C1	H11	sing	1.09Å	1.11Å
C1	H12	sing	1.09Å	1.12Å
C1	H13	sing	1.09Å	1.12Å
S10	O11	doub	1.42Å	1.32Å
S10	O12	doub	1.42Å	1.31Å
S10	N14	sing	1.65Å	1.59Å
N14	C19	sing	1.47Å	1.58Å
N14	C15	sing	1.47Å	1.52Å
C19	C18	sing	1.53Å	1.54Å
C19	H191	sing	1.09Å	1.12Å
C19	H192	sing	1.09Å	1.11Å
C18	N17	sing	1.47Å	1.50Å
C18	H181	sing	1.09Å	1.11Å
C18	H182	sing	1.09Å	1.12Å
N17	C20	sing	1.47Å	1.50Å
N17	C16	sing	1.47Å	1.53Å
C20	H201	sing	1.09Å	1.11Å
C20	H202	sing	1.09Å	1.12Å
C20	H203	sing	1.09Å	1.12Å
C16	C15	sing	1.53Å	1.58Å
C16	H161	sing	1.09Å	1.12Å
C16	H162	sing	1.09Å	1.11Å
C15	H151	sing	1.09Å	1.11Å
C15	H152	sing	1.09Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C33	C34	H341	111.2°	109.5°
C33	C34	H342	112.0°	109.4°
C33	C34	H343	111.3°	109.5°
C34	C33	C32	112.0°	109.5°
C34	C33	H331	111.3°	109.4°
C34	C33	H332	111.3°	109.5°
H341	C34	H342	111.3°	109.5°
H341	C34	H343	99.1°	109.5°
H342	C34	H343	111.3°	109.5°
C32	C33	H331	111.3°	109.4°
C32	C33	H332	111.3°	109.5°
C33	C32	C30	102.8°	109.4°
C33	C32	H321	114.8°	109.4°
C33	C32	H322	114.8°	109.5°
H331	C33	H332	99.1°	109.5°
C30	C32	H321	114.7°	109.4°
C30	C32	H322	114.7°	109.5°
C32	C30	N29	125.0°	125.7°
C32	C30	C25	126.4°	125.6°
H321	C32	H322	95.7°	109.5°
N29	C30	C25	108.7°	108.7°
C30	N29	N28	109.0°	109.4°
C30	C25	C24	105.5°	107.0°
C30	C25	N26	130.5°	133.6°
N29	N28	C31	122.8°	126.0°
N29	N28	C24	107.3°	107.9°
C31	N28	C24	129.9°	126.1°
N28	C31	H311	107.5°	109.5°
N28	C31	H312	122.8°	109.4°
N28	C31	H313	107.5°	109.5°
N28	C24	C23	133.7°	134.2°
N28	C24	C25	109.5°	107.0°
H311	C31	H312	107.5°	109.4°
H311	C31	H313	102.3°	109.5°
H312	C31	H313	107.5°	109.5°
C23	C24	C25	116.8°	118.8°
C24	C23	O27	123.2°	120.8°
C24	C23	N22	118.5°	118.3°
C24	C25	N26	124.0°	119.4°
O27	C23	N22	118.3°	120.8°
C23	N22	C21	123.8°	120.4°
C23	N22	H22	117.8°	119.8°
C21	N22	H22	118.4°	119.8°
N22	C21	N26	119.7°	121.9°
N22	C21	C9	117.1°	119.0°
N26	C21	C9	123.1°	119.1°
C21	N26	C25	117.1°	121.2°
C21	C9	C8	115.7°	120.2°
C21	C9	C4	122.6°	120.2°
C8	C9	C4	121.6°	119.6°
C9	C8	C7	121.1°	119.9°
C9	C8	H8	119.0°	120.0°
C9	C4	C5	117.7°	119.8°
C9	C4	O3	118.4°	120.2°
C7	C8	H8	119.9°	120.0°
C8	C7	C6	117.4°	120.2°
C8	C7	S10	121.4°	119.9°
C6	C7	S10	121.1°	119.9°
C7	C6	C5	122.3°	120.4°
C7	C6	H6	120.2°	119.7°
C7	S10	O11	116.2°	105.7°
C7	S10	O12	109.3°	105.8°
C7	S10	N14	100.5°	107.4°
C5	C6	H6	117.5°	119.9°
C6	C5	C4	119.8°	120.0°
C6	C5	H5	119.5°	120.0°
C4	C5	H5	120.6°	120.0°
C5	C4	O3	123.9°	120.1°
C4	O3	C2	125.0°	106.8°
O3	C2	C1	105.0°	109.5°
O3	C2	H21	113.9°	109.5°
O3	C2	H22A	113.9°	109.4°
C1	C2	H21	113.9°	109.5°
C1	C2	H22A	113.9°	109.5°
C2	C1	H11	113.9°	109.5°
C2	C1	H12	105.0°	109.5°
C2	C1	H13	113.9°	109.4°
H21	C2	H22A	96.6°	109.4°
H11	C1	H12	113.9°	109.5°
H11	C1	H13	96.6°	109.5°
H12	C1	H13	113.9°	109.4°
O11	S10	O12	105.1°	125.4°
O11	S10	N14	113.3°	105.8°
O12	S10	N14	112.7°	105.8°
S10	N14	C19	115.0°	121.1°
S10	N14	C15	123.4°	121.1°
C19	N14	C15	106.0°	117.9°
N14	C19	C18	117.3°	108.4°
N14	C19	H191	109.3°	109.7°
N14	C19	H192	109.4°	109.7°
N14	C15	C16	116.0°	108.6°
N14	C15	H151	109.8°	109.7°
N14	C15	H152	109.9°	109.3°
C18	C19	H191	109.4°	109.7°
C18	C19	H192	109.4°	109.7°
C19	C18	N17	116.2°	109.5°
C19	C18	H181	109.8°	109.4°
C19	C18	H182	109.8°	109.5°
H191	C19	H192	100.8°	109.7°
N17	C18	H181	109.8°	109.4°
N17	C18	H182	109.8°	109.5°
C18	N17	C20	108.3°	106.7°
C18	N17	C16	119.2°	107.4°
H181	C18	H182	100.4°	109.4°
C20	N17	C16	109.2°	106.7°
N17	C20	H201	112.6°	109.5°
N17	C20	H202	108.3°	109.5°
N17	C20	H203	112.6°	109.4°
N17	C16	C15	118.3°	109.6°
N17	C16	H161	109.0°	109.5°
N17	C16	H162	109.0°	109.5°
H201	C20	H202	112.7°	109.5°
H201	C20	H203	97.8°	109.5°
H202	C20	H203	112.7°	109.4°
C15	C16	H161	109.0°	109.5°
C15	C16	H162	109.0°	109.3°
C16	C15	H151	109.9°	109.7°
C16	C15	H152	109.9°	109.7°
H161	C16	H162	101.0°	109.5°
H151	C15	H152	100.3°	109.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C33	C34	H341	H342	125.7°	119.9°
C33	C34	H341	H343	117.1°	120.0°
C33	C34	H342	H343	125.2°	120.0°
C34	C33	C32	H331	125.3°	119.9°
C34	C33	C32	H332	125.3°	120.0°
C34	C33	H331	H332	117.2°	120.0°
C34	C33	C32	C30	179.7°	180.0°
C34	C33	C32	H321	55.0°	60.1°
C34	C33	C32	H322	54.5°	60.0°
H341	C34	H342	H343	109.5°	120.0°
H341	C34	C33	C32	54.7°	180.0°
H341	C34	C33	H331	70.5°	60.0°
H341	C34	C33	H332	180.0°	60.0°
H342	C34	C33	C32	180.0°	60.0°
H342	C34	C33	H331	54.8°	60.0°
H342	C34	C33	H332	54.7°	180.0°
H343	C34	C33	C32	54.7°	60.0°
H343	C34	C33	H331	180.0°	180.0°
H343	C34	C33	H332	70.5°	60.0°
C32	C33	H331	H332	117.1°	120.1°
C33	C32	C30	H321	125.3°	119.9°
C33	C32	C30	H322	125.3°	120.1°
C33	C32	H321	H322	120.7°	120.1°
C33	C32	C30	N29	89.7°	90.0°
C33	C32	C30	C25	90.0°	90.3°
H331	C33	C32	C30	54.5°	60.1°
H331	C33	C32	H321	179.7°	180.0°
H331	C33	C32	H322	70.8°	60.0°
H332	C33	C32	C30	55.0°	60.0°
H332	C33	C32	H321	70.3°	60.0°
H332	C33	C32	H322	179.8°	180.0°
C30	C32	H321	H322	120.6°	120.0°
C32	C30	N29	C25	179.7°	179.7°
C32	C30	N29	N28	179.7°	179.9°
C32	C30	C25	C24	179.6°	180.0°
C32	C30	C25	N26	0.4°	0.7°
H321	C32	C30	N29	35.6°	29.9°
H321	C32	C30	C25	144.8°	149.7°
H322	C32	C30	N29	145.1°	149.9°
H322	C32	C30	C25	35.3°	29.7°
C30	N29	N28	C31	179.9°	180.0°
C30	N29	N28	C24	0.0°	0.0°
N29	C30	C25	C24	0.1°	0.4°
N29	C30	C25	N26	179.9°	179.6°
C25	C30	N29	N28	0.0°	0.2°
C30	C25	C24	N28	0.1°	0.3°
C30	C25	C24	C23	179.9°	179.8°
C30	C25	C24	N26	180.0°	179.4°
C30	C25	N26	C21	179.9°	179.7°
N29	N28	C31	C24	179.9°	179.9°
N29	N28	C31	H311	54.7°	90.0°
N29	N28	C31	H312	180.0°	150.0°
N29	N28	C31	H313	54.7°	30.0°
N29	N28	C24	C23	179.9°	180.0°
N29	N28	C24	C25	0.1°	0.2°
N28	C31	H311	H312	134.0°	120.0°
N28	C31	H311	H313	113.0°	120.0°
N28	C31	H312	H313	125.3°	120.0°
C31	N28	C24	C23	0.2°	0.1°
C31	N28	C24	C25	179.8°	179.7°
C24	N28	C31	H311	125.3°	89.9°
C24	N28	C31	H312	0.1°	30.1°
C24	N28	C31	H313	125.2°	150.0°
N28	C24	C23	C25	180.0°	179.8°
N28	C24	C23	O27	0.1°	0.0°
N28	C24	C23	N22	179.7°	180.0°
N28	C24	C25	N26	179.8°	179.7°
H311	C31	H312	H313	109.5°	120.0°
C24	C23	O27	N22	179.9°	179.9°
C24	C23	N22	C21	0.2°	0.1°
C24	C23	N22	H22	179.9°	180.0°
C23	C24	C25	N26	0.2°	0.5°
C25	C24	C23	O27	179.9°	179.8°
C25	C24	C23	N22	0.3°	0.2°
C24	C25	N26	C21	0.0°	0.5°
O27	C23	N22	C21	179.9°	180.0°
O27	C23	N22	H22	0.0°	0.1°
C23	N22	C21	H22	180.0°	180.0°
C23	N22	C21	N26	0.0°	0.0°
C23	N22	C21	C9	179.7°	180.0°
N22	C21	N26	C9	179.7°	180.0°
N22	C21	N26	C25	0.1°	0.3°
N22	C21	C9	C8	130.0°	40.0°
N22	C21	C9	C4	49.2°	140.3°
H22	N22	C21	N26	179.9°	179.9°
H22	N22	C21	C9	0.3°	0.0°
N26	C21	C9	C8	49.8°	140.0°
N26	C21	C9	C4	131.1°	39.7°
C9	C21	N26	C25	179.6°	179.7°
C21	C9	C8	C4	179.2°	179.7°
C21	C9	C8	C7	179.3°	180.0°
C21	C9	C8	H8	0.7°	0.1°
C21	C9	C4	C5	179.7°	179.7°
C21	C9	C4	O3	0.2°	0.3°
C9	C8	C7	H8	180.0°	179.9°
C9	C8	C7	C6	0.2°	0.0°
C9	C8	C7	S10	178.9°	180.0°
C8	C9	C4	C5	0.6°	0.6°
C8	C9	C4	O3	178.9°	180.0°
C4	C9	C8	C7	0.2°	0.3°
C4	C9	C8	H8	179.8°	179.8°
C9	C4	C5	C6	0.5°	0.6°
C9	C4	C5	O3	179.4°	179.4°
C9	C4	C5	H5	179.5°	179.7°
C9	C4	O3	C2	179.3°	179.4°
C8	C7	C6	S10	179.1°	180.0°
C8	C7	C6	C5	0.3°	0.0°
C8	C7	C6	H6	179.7°	180.0°
C8	C7	S10	O11	95.3°	157.4°
C8	C7	S10	O12	23.3°	22.6°
C8	C7	S10	N14	142.1°	90.0°
H8	C8	C7	C6	179.8°	179.9°
H8	C8	C7	S10	1.1°	0.1°
C7	C6	C5	H6	180.0°	179.9°
C7	C6	C5	C4	0.1°	0.3°
C7	C6	C5	H5	179.9°	180.0°
C6	C7	S10	O11	85.7°	22.6°
C6	C7	S10	O12	155.7°	157.4°
C6	C7	S10	N14	37.0°	90.0°
S10	C7	C6	C5	178.8°	179.9°
S10	C7	C6	H6	1.2°	0.0°
C7	S10	O11	O12	120.9°	123.1°
C7	S10	O11	N14	115.6°	113.7°
C7	S10	O12	N14	110.8°	113.7°
C7	S10	N14	C19	101.4°	90.0°
C7	S10	N14	C15	126.5°	90.3°
C6	C5	C4	H5	180.0°	179.7°
C6	C5	C4	O3	178.9°	180.0°
H6	C6	C5	C4	179.9°	179.7°
H6	C6	C5	H5	0.1°	0.1°
C5	C4	O3	C2	0.1°	0.0°
H5	C5	C4	O3	1.1°	0.3°
C4	O3	C2	C1	178.9°	180.0°
C4	O3	C2	H21	53.6°	59.9°
C4	O3	C2	H22A	55.9°	60.0°
O3	C2	C1	H21	125.3°	120.0°
O3	C2	C1	H22A	125.3°	120.0°
O3	C2	H21	H22A	119.8°	119.9°
O3	C2	C1	H11	54.7°	180.0°
O3	C2	C1	H12	180.0°	59.9°
O3	C2	C1	H13	54.7°	60.0°
C1	C2	H21	H22A	119.8°	120.0°
C2	C1	H11	H12	120.4°	120.1°
C2	C1	H11	H13	119.8°	119.9°
C2	C1	H12	H13	125.3°	119.9°
H21	C2	C1	H11	NaN°	60.0°
H21	C2	C1	H12	54.8°	180.0°
H21	C2	C1	H13	70.5°	60.0°
H22A	C2	C1	H11	70.5°	60.0°
H22A	C2	C1	H12	54.7°	60.1°
H22A	C2	C1	H13	180.0°	180.0°
H11	C1	H12	H13	109.5°	120.0°
O11	S10	O12	N14	123.8°	123.2°
O11	S10	N14	C19	134.0°	22.5°
O11	S10	N14	C15	1.8°	157.1°
O12	S10	N14	C19	14.8°	157.4°
O12	S10	N14	C15	117.3°	22.3°
S10	N14	C19	C15	140.0°	179.7°
S10	N14	C19	C18	83.2°	130.9°
S10	N14	C19	H191	151.6°	109.3°
S10	N14	C19	H192	42.1°	11.2°
S10	N14	C15	C16	83.2°	131.0°
S10	N14	C15	H151	42.1°	11.1°
S10	N14	C15	H152	151.5°	109.3°
N14	C19	C18	H191	125.2°	119.7°
N14	C19	C18	H192	125.3°	119.7°
N14	C19	H191	H192	115.1°	120.5°
N14	C19	C18	N17	37.3°	56.0°
N14	C19	C18	H181	162.6°	176.0°
N14	C19	C18	H182	88.0°	64.1°
C19	N14	C15	C16	52.5°	48.7°
C19	N14	C15	H151	177.8°	168.6°
C19	N14	C15	H152	72.8°	71.0°
C15	N14	C19	C18	56.8°	48.7°
C15	N14	C19	H191	68.5°	71.0°
C15	N14	C19	H192	178.0°	168.4°
N14	C15	C16	N17	32.0°	55.7°
N14	C15	C16	H151	125.3°	119.9°
N14	C15	C16	H152	125.3°	119.5°
N14	C15	C16	H161	157.3°	175.8°
N14	C15	C16	H162	93.2°	64.2°
N14	C15	H151	H152	115.6°	120.1°
C18	C19	H191	H192	115.1°	120.5°
C19	C18	N17	H181	125.3°	120.0°
C19	C18	N17	H182	125.3°	120.1°
C19	C18	H181	H182	115.6°	119.9°
C19	C18	N17	C20	113.9°	179.0°
C19	C18	N17	C16	11.7°	66.9°
H191	C19	C18	N17	87.9°	63.7°
H191	C19	C18	H181	37.3°	56.3°
H191	C19	C18	H182	146.8°	176.2°
H192	C19	C18	N17	162.6°	175.7°
H192	C19	C18	H181	72.2°	64.3°
H192	C19	C18	H182	37.3°	55.6°
N17	C18	H181	H182	115.6°	120.0°
C18	N17	C20	C16	131.3°	114.6°
C18	N17	C20	H201	54.7°	180.0°
C18	N17	C20	H202	180.0°	60.0°
C18	N17	C20	H203	54.7°	59.9°
C18	N17	C16	C15	9.0°	66.8°
C18	N17	C16	H161	134.3°	173.1°
C18	N17	C16	H162	116.2°	53.1°
H181	C18	N17	C20	11.4°	59.0°
H181	C18	N17	C16	137.0°	173.1°
H182	C18	N17	C20	120.8°	60.9°
H182	C18	N17	C16	113.6°	53.1°
N17	C20	H201	H202	122.9°	120.1°
N17	C20	H201	H203	118.6°	120.0°
N17	C20	H202	H203	125.2°	119.9°
C20	N17	C16	C15	116.2°	179.1°
C20	N17	C16	H161	9.1°	59.0°
C20	N17	C16	H162	118.6°	61.0°
C16	N17	C20	H201	76.6°	65.4°
C16	N17	C20	H202	48.7°	174.6°
C16	N17	C20	H203	174.0°	54.6°
N17	C16	C15	H161	125.3°	120.1°
N17	C16	C15	H162	125.3°	120.0°
N17	C16	H161	H162	114.8°	120.0°
N17	C16	C15	H151	157.3°	175.7°
N17	C16	C15	H152	93.3°	63.7°
H201	C20	H202	H203	109.5°	120.0°
C15	C16	H161	H162	114.7°	119.8°
C16	C15	H151	H152	115.7°	120.6°
H161	C16	C15	H151	77.4°	64.2°
H161	C16	C15	H152	32.0°	56.4°
H162	C16	C15	H151	32.0°	55.7°
H162	C16	C15	H152	141.5°	176.3°

Definition date:	2003-05-07
Last modified:	2020-01-26
Release status:	REL
Processing site:	EBI
Derived from:	1UDT