CEH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S1	C1	sing	0.00Å	1.83Å
S1	C4	sing	0.00Å	1.74Å
C1	C2	sing	0.00Å	1.34Å
C1	H11	sing	0.00Å	1.12Å
C1	H12A	sing	0.00Å	1.11Å
C2	C3	doub	0.00Å	1.68Å
C2	C5	sing	0.00Å	1.47Å
C3	N1	sing	0.00Å	1.10Å
C3	C6	sing	0.00Å	1.51Å
N1	C4	sing	0.00Å	1.42Å
N1	HN1	sing	0.00Å	1.02Å
C4	C7	sing	0.00Å	1.55Å
C4	H4	sing	0.00Å	1.12Å
C5	C17	sing	0.00Å	1.50Å
C5	H51	sing	0.00Å	1.12Å
C5	H52	sing	0.00Å	1.12Å
C6	O1	doub	0.00Å	1.24Å
C6	O2	sing	0.00Å	1.25Å
O2	HO2	sing	0.00Å	0.95Å
O3	C8	doub	0.00Å	1.19Å
N2	C7	sing	0.00Å	1.38Å
N2	C9	sing	0.00Å	1.41Å
N2	HN2	sing	0.00Å	1.02Å
C7	C8	sing	0.00Å	1.60Å
C7	H7	sing	0.00Å	1.12Å
C8	O13	sing	0.00Å	1.32Å
C9	C10	sing	0.00Å	1.25Å
C9	O11	doub	0.00Å	1.37Å
C10	C11	sing	0.00Å	1.64Å
C10	H101	sing	0.00Å	1.12Å
C10	H102	sing	0.00Å	1.12Å
C11	C12	doub	0.00Å	1.37Å	Aromatic
C11	C16	sing	0.00Å	1.35Å	Aromatic
C12	C13	sing	0.00Å	1.39Å	Aromatic
C12	H12	sing	0.00Å	1.10Å
C13	C14	doub	0.00Å	1.39Å	Aromatic
C13	H13	sing	0.00Å	1.10Å
C14	C15	sing	0.00Å	1.39Å	Aromatic
C14	H14	sing	0.00Å	1.10Å
C15	C16	doub	0.00Å	1.38Å	Aromatic
C15	H15	sing	0.00Å	1.10Å
C16	H16	sing	0.00Å	1.10Å
C17	C18	sing	0.00Å	1.51Å
C17	H171	sing	0.00Å	1.11Å
C17	H172	sing	0.00Å	1.11Å
C18	C19	sing	0.00Å	1.50Å
C18	N4	sing	0.00Å	1.47Å
C18	H18	sing	0.00Å	1.11Å
C19	O4	doub	0.00Å	1.22Å
C19	N3	sing	0.00Å	1.40Å
N4	C24	sing	0.00Å	1.41Å
N4	HN4	sing	0.00Å	1.02Å
N3	C27	sing	0.00Å	1.47Å
N3	HN3	sing	0.00Å	1.02Å
C24	O7	doub	0.00Å	1.25Å
C24	C20	sing	0.00Å	1.52Å
C20	C21	sing	0.00Å	1.54Å
C20	H201	sing	0.00Å	1.12Å
C20	H202	sing	0.00Å	1.12Å
C25	C30	sing	0.00Å	1.54Å
C25	H251	sing	0.00Å	1.12Å
C25	H252	sing	0.00Å	1.11Å
C25	H253	sing	0.00Å	1.11Å
C27	C28	sing	0.00Å	1.53Å
C27	C29	sing	0.00Å	1.50Å
C27	H27	sing	0.00Å	1.11Å
C28	H281	sing	0.00Å	1.11Å
C28	H282	sing	0.00Å	1.12Å
C28	H283	sing	0.00Å	1.11Å
C29	O8	doub	0.00Å	1.18Å
C29	N6	sing	0.00Å	1.39Å
N6	C30	sing	0.00Å	1.45Å
N6	HN6	sing	0.00Å	1.02Å
C30	C31	sing	0.00Å	1.51Å
C30	H30	sing	0.00Å	1.12Å
C31	O9	doub	0.00Å	1.25Å
C31	O10	sing	0.00Å	1.23Å
O10	HO10	sing	0.00Å	0.95Å
C21	C22	sing	0.00Å	1.56Å
C21	H211	sing	0.00Å	1.11Å
C21	H212	sing	0.00Å	1.11Å
C22	C23	sing	0.00Å	1.56Å
C22	N5	sing	0.00Å	1.44Å
C22	H22	sing	0.00Å	1.12Å
C23	O5	sing	0.00Å	1.26Å
C23	O6	doub	0.00Å	1.25Å
N5	C26	sing	0.00Å	1.36Å
N5	HN5	sing	0.00Å	1.02Å
C26	C32	sing	0.00Å	1.53Å
C26	O12	doub	0.00Å	1.22Å
O5	HO5	sing	0.00Å	0.95Å
O13	HO13	sing	0.00Å	0.95Å
C32	H321	sing	0.00Å	1.11Å
C32	H322	sing	0.00Å	1.12Å
C32	H323	sing	0.00Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	S1	C4	94.8°	90.0°
S1	C1	C2	111.7°	90.0°
S1	C1	H11	111.4°	90.0°
S1	C1	H12A	111.4°	90.0°
S1	C4	N1	119.9°	90.0°
S1	C4	C7	108.8°	90.0°
S1	C4	H4	102.3°	90.0°
C2	C1	H11	111.4°	90.0°
C2	C1	H12A	111.4°	90.0°
C1	C2	C3	122.3°	90.0°
C1	C2	C5	119.6°	90.0°
H11	C1	H12A	99.0°	90.0°
C3	C2	C5	118.0°	90.0°
C2	C3	N1	125.6°	90.0°
C2	C3	C6	115.6°	90.0°
C2	C5	C17	95.5°	90.0°
C2	C5	H51	117.7°	90.0°
C2	C5	H52	117.7°	90.0°
N1	C3	C6	118.8°	90.0°
C3	N1	C4	118.0°	90.0°
C3	N1	HN1	109.1°	90.0°
C3	C6	O1	118.3°	90.0°
C3	C6	O2	125.4°	90.0°
C4	N1	HN1	109.1°	90.0°
N1	C4	C7	108.9°	90.0°
N1	C4	H4	102.2°	90.0°
C7	C4	H4	114.8°	90.0°
C4	C7	N2	112.9°	90.0°
C4	C7	C8	105.7°	90.0°
C4	C7	H7	110.1°	90.0°
C17	C5	H51	117.7°	90.0°
C17	C5	H52	117.7°	90.0°
C5	C17	C18	119.8°	90.0°
C5	C17	H171	108.5°	90.0°
C5	C17	H172	108.5°	90.0°
H51	C5	H52	92.6°	90.0°
O1	C6	O2	116.3°	90.0°
C6	O2	HO2	125.4°	90.0°
O3	C8	C7	122.7°	90.0°
O3	C8	O13	126.4°	90.0°
C7	N2	C9	129.8°	90.0°
C7	N2	HN2	113.6°	90.0°
N2	C7	C8	110.3°	90.0°
N2	C7	H7	105.4°	90.0°
C9	N2	HN2	116.5°	90.0°
N2	C9	C10	126.5°	90.0°
N2	C9	O11	107.5°	90.0°
C8	C7	H7	112.6°	90.0°
C7	C8	O13	110.8°	90.0°
C8	O13	HO13	126.5°	90.0°
C10	C9	O11	126.1°	90.0°
C9	C10	C11	115.0°	90.0°
C9	C10	H101	110.2°	90.0°
C9	C10	H102	110.2°	90.0°
C11	C10	H101	110.2°	90.0°
C11	C10	H102	110.2°	90.0°
C10	C11	C12	114.1°	90.0°
C10	C11	C16	122.9°	90.0°
H101	C10	H102	100.0°	90.0°
C12	C11	C16	123.0°	90.0°
C11	C12	C13	118.4°	90.0°
C11	C12	H12	120.1°	90.0°
C11	C16	C15	119.0°	90.0°
C11	C16	H16	119.4°	90.0°
C13	C12	H12	121.4°	90.0°
C12	C13	C14	119.8°	90.0°
C12	C13	H13	120.0°	90.0°
C14	C13	H13	120.2°	90.0°
C13	C14	C15	120.0°	90.0°
C13	C14	H14	120.0°	90.0°
C15	C14	H14	120.1°	90.0°
C14	C15	C16	119.5°	90.0°
C14	C15	H15	120.5°	90.0°
C16	C15	H15	120.1°	90.0°
C15	C16	H16	121.6°	90.0°
C18	C17	H171	108.5°	90.0°
C18	C17	H172	108.5°	90.0°
C17	C18	C19	100.6°	90.0°
C17	C18	N4	110.3°	90.0°
C17	C18	H18	118.4°	90.0°
H171	C17	H172	101.5°	90.0°
C19	C18	N4	118.8°	90.0°
C19	C18	H18	109.8°	90.0°
C18	C19	O4	123.1°	90.0°
C18	C19	N3	117.9°	90.0°
N4	C18	H18	100.0°	90.0°
C18	N4	C24	119.3°	90.0°
C18	N4	HN4	122.4°	90.0°
O4	C19	N3	119.0°	90.0°
C19	N3	C27	117.4°	90.0°
C19	N3	HN3	119.0°	90.0°
C24	N4	HN4	118.3°	90.0°
N4	C24	O7	106.6°	90.0°
N4	C24	C20	105.7°	90.0°
C27	N3	HN3	123.6°	90.0°
N3	C27	C28	105.1°	90.0°
N3	C27	C29	109.1°	90.0°
N3	C27	H27	113.8°	90.0°
O7	C24	C20	147.8°	90.0°
C24	C20	C21	111.0°	90.0°
C24	C20	H201	111.7°	90.0°
C24	C20	H202	111.7°	90.0°
C21	C20	H201	111.7°	90.0°
C21	C20	H202	111.7°	90.0°
C20	C21	C22	107.6°	90.0°
C20	C21	H211	112.9°	90.0°
C20	C21	H212	112.9°	90.0°
H201	C20	H202	98.7°	90.0°
C30	C25	H251	113.3°	90.0°
C30	C25	H252	110.8°	90.0°
C30	C25	H253	110.8°	90.0°
C25	C30	N6	113.3°	90.0°
C25	C30	C31	99.4°	90.0°
C25	C30	H30	114.8°	90.0°
H251	C25	H252	110.8°	90.0°
H251	C25	H253	110.8°	90.0°
H252	C25	H253	99.6°	90.0°
C28	C27	C29	113.1°	90.0°
C28	C27	H27	110.0°	90.0°
C27	C28	H281	105.1°	90.0°
C27	C28	H282	113.8°	90.0°
C27	C28	H283	113.9°	90.0°
C29	C27	H27	105.9°	90.0°
C27	C29	O8	121.9°	90.0°
C27	C29	N6	111.2°	90.0°
H281	C28	H282	113.8°	90.0°
H281	C28	H283	113.9°	90.0°
H282	C28	H283	96.6°	90.0°
O8	C29	N6	126.8°	90.0°
C29	N6	C30	118.8°	90.0°
C29	N6	HN6	118.7°	90.0°
C30	N6	HN6	122.5°	90.0°
N6	C30	C31	112.9°	90.0°
N6	C30	H30	101.8°	90.0°
C31	C30	H30	115.2°	90.0°
C30	C31	O9	119.2°	90.0°
C30	C31	O10	115.1°	90.0°
O9	C31	O10	125.6°	90.0°
C31	O10	HO10	115.1°	90.0°
C22	C21	H211	112.9°	90.0°
C22	C21	H212	112.9°	90.0°
C21	C22	C23	104.8°	90.0°
C21	C22	N5	114.0°	90.0°
C21	C22	H22	110.7°	90.0°
H211	C21	H212	97.6°	90.0°
C23	C22	N5	112.6°	90.0°
C23	C22	H22	112.2°	90.0°
C22	C23	O5	117.1°	90.0°
C22	C23	O6	115.6°	90.0°
N5	C22	H22	102.7°	90.0°
C22	N5	C26	132.7°	90.0°
C22	N5	HN5	117.4°	90.0°
O5	C23	O6	127.3°	90.0°
C23	O5	HO5	117.0°	90.0°
C26	N5	HN5	109.9°	90.0°
N5	C26	C32	118.1°	90.0°
N5	C26	O12	118.7°	90.0°
C32	C26	O12	113.6°	90.0°
C26	C32	H321	118.2°	90.0°
C26	C32	H322	109.1°	90.0°
C26	C32	H323	109.1°	90.0°
H321	C32	H322	109.0°	90.0°
H321	C32	H323	109.2°	90.0°
H322	C32	H323	101.0°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S1	C1	C2	H11	125.2°	90.0°
S1	C1	C2	H12A	125.3°	90.0°
S1	C1	H11	H12A	117.3°	90.0°
S1	C1	C2	C3	22.8°	90.0°
S1	C1	C2	C5	153.8°	90.0°
C1	S1	C4	N1	58.8°	90.0°
C1	S1	C4	C7	174.9°	90.0°
C1	S1	C4	H4	53.1°	90.0°
C4	S1	C1	C2	44.1°	90.0°
C4	S1	C1	H11	81.1°	90.0°
C4	S1	C1	H12A	169.4°	90.0°
S1	C4	N1	C3	43.8°	90.0°
S1	C4	N1	C7	126.2°	90.0°
S1	C4	N1	H4	112.0°	90.0°
S1	C4	N1	HN1	81.5°	90.0°
S1	C4	C7	H4	113.9°	90.0°
S1	C4	C7	N2	55.9°	90.0°
S1	C4	C7	C8	176.6°	90.0°
S1	C4	C7	H7	61.5°	90.0°
C2	C1	H11	H12A	117.3°	90.0°
C1	C2	C3	C5	176.7°	90.0°
C1	C2	C3	N1	2.1°	90.0°
C1	C2	C3	C6	178.8°	90.0°
C1	C2	C5	C17	77.7°	90.0°
C1	C2	C5	H51	157.0°	90.0°
C1	C2	C5	H52	47.6°	90.0°
H11	C1	C2	C3	102.4°	90.0°
H11	C1	C2	C5	81.0°	90.0°
H12A	C1	C2	C3	148.1°	90.0°
H12A	C1	C2	C5	28.5°	90.0°
C2	C3	N1	C6	179.1°	90.0°
C2	C3	N1	C4	6.4°	90.0°
C2	C3	N1	HN1	118.9°	90.0°
C3	C2	C5	C17	99.1°	90.0°
C3	C2	C5	H51	26.2°	90.0°
C3	C2	C5	H52	135.6°	90.0°
C2	C3	C6	O1	153.3°	90.0°
C2	C3	C6	O2	28.6°	90.0°
C5	C2	C3	N1	178.8°	90.0°
C5	C2	C3	C6	2.1°	90.0°
C2	C5	C17	H51	125.3°	90.0°
C2	C5	C17	H52	125.3°	90.0°
C2	C5	H51	H52	123.3°	90.0°
C2	C5	C17	C18	157.6°	90.0°
C2	C5	C17	H171	32.3°	90.0°
C2	C5	C17	H172	77.1°	90.0°
C3	N1	C4	HN1	125.3°	90.0°
C3	N1	C4	C7	170.0°	90.0°
C3	N1	C4	H4	68.3°	90.0°
N1	C3	C6	O1	25.9°	90.0°
N1	C3	C6	O2	152.2°	90.0°
C6	C3	N1	C4	172.7°	90.0°
C6	C3	N1	HN1	62.0°	90.0°
C3	C6	O1	O2	178.3°	90.0°
C3	C6	O2	HO2	180.0°	90.0°
N1	C4	C7	H4	113.8°	90.0°
N1	C4	C7	N2	76.4°	90.0°
N1	C4	C7	C8	44.3°	90.0°
N1	C4	C7	H7	166.1°	90.0°
HN1	N1	C4	C7	44.7°	90.0°
HN1	N1	C4	H4	166.5°	90.0°
C4	C7	C8	O3	106.7°	90.0°
C4	C7	N2	C8	118.0°	90.0°
C4	C7	N2	H7	120.2°	90.0°
C4	C7	N2	C9	115.4°	90.0°
C4	C7	N2	HN2	64.6°	90.0°
C4	C7	C8	H7	120.2°	90.0°
C4	C7	C8	O13	76.0°	90.0°
H4	C4	C7	N2	169.8°	90.0°
H4	C4	C7	C8	69.5°	90.0°
H4	C4	C7	H7	52.3°	90.0°
C17	C5	H51	H52	123.4°	90.0°
C5	C17	C18	H171	125.3°	90.0°
C5	C17	C18	H172	125.2°	90.0°
C5	C17	H171	H172	114.1°	90.0°
C5	C17	C18	C19	179.3°	90.0°
C5	C17	C18	N4	53.0°	90.0°
C5	C17	C18	H18	61.1°	90.0°
H51	C5	C17	C18	77.1°	90.0°
H51	C5	C17	H171	157.6°	90.0°
H51	C5	C17	H172	48.1°	90.0°
H52	C5	C17	C18	32.3°	90.0°
H52	C5	C17	H171	93.0°	90.0°
H52	C5	C17	H172	157.6°	90.0°
O1	C6	O2	HO2	1.8°	90.0°
O3	C8	C7	N2	15.6°	90.0°
O3	C8	C7	O13	177.3°	90.0°
O3	C8	C7	H7	133.1°	90.0°
O3	C8	O13	HO13	180.0°	90.0°
C7	N2	C9	HN2	179.9°	90.0°
N2	C7	C8	H7	117.4°	90.0°
N2	C7	C8	O13	161.7°	90.0°
C7	N2	C9	C10	179.5°	90.0°
C7	N2	C9	O11	0.2°	90.0°
C9	N2	C7	C8	126.5°	90.0°
C9	N2	C7	H7	4.8°	90.0°
N2	C9	C10	O11	179.2°	90.0°
N2	C9	C10	C11	113.1°	90.0°
N2	C9	C10	H101	121.6°	90.0°
N2	C9	C10	H102	12.2°	90.0°
HN2	N2	C7	C8	53.4°	90.0°
HN2	N2	C7	H7	175.2°	90.0°
HN2	N2	C9	C10	0.6°	90.0°
HN2	N2	C9	O11	179.9°	90.0°
C7	C8	O13	HO13	2.8°	90.0°
H7	C7	C8	O13	44.2°	90.0°
C9	C10	C11	H101	125.2°	90.0°
C9	C10	C11	H102	125.3°	90.0°
C9	C10	H101	H102	116.0°	90.0°
C9	C10	C11	C12	7.3°	90.0°
C9	C10	C11	C16	171.0°	90.0°
O11	C9	C10	C11	66.1°	90.0°
O11	C9	C10	H101	59.2°	90.0°
O11	C9	C10	H102	168.6°	90.0°
C11	C10	H101	H102	116.1°	90.0°
C10	C11	C12	C16	178.3°	90.0°
C10	C11	C12	C13	179.2°	90.0°
C10	C11	C12	H12	0.8°	90.0°
C10	C11	C16	C15	176.8°	90.0°
C10	C11	C16	H16	3.2°	90.0°
H101	C10	C11	C12	118.0°	90.0°
H101	C10	C11	C16	63.7°	90.0°
H102	C10	C11	C12	132.5°	90.0°
H102	C10	C11	C16	45.8°	90.0°
C11	C12	C13	H12	180.0°	90.0°
C11	C12	C13	C14	0.7°	90.0°
C11	C12	C13	H13	179.3°	90.0°
C12	C11	C16	C15	5.0°	90.0°
C12	C11	C16	H16	175.0°	90.0°
C16	C11	C12	C13	0.9°	90.0°
C16	C11	C12	H12	179.1°	90.0°
C11	C16	C15	C14	7.5°	90.0°
C11	C16	C15	H16	180.0°	90.0°
C11	C16	C15	H15	172.5°	90.0°
C12	C13	C14	H13	180.0°	90.0°
C12	C13	C14	C15	1.9°	90.0°
C12	C13	C14	H14	178.1°	90.0°
H12	C12	C13	C14	179.3°	90.0°
H12	C12	C13	H13	0.7°	90.0°
C13	C14	C15	H14	180.0°	90.0°
C13	C14	C15	C16	6.0°	90.0°
C13	C14	C15	H15	173.9°	90.0°
H13	C13	C14	C15	178.1°	90.0°
H13	C13	C14	H14	1.9°	90.0°
C14	C15	C16	H15	180.0°	90.0°
C14	C15	C16	H16	172.5°	90.0°
H14	C14	C15	C16	174.0°	90.0°
H14	C14	C15	H15	6.1°	90.0°
H15	C15	C16	H16	7.6°	90.0°
C18	C17	H171	H172	114.2°	90.0°
C17	C18	C19	N4	120.4°	90.0°
C17	C18	C19	H18	125.5°	90.0°
C17	C18	N4	H18	125.4°	90.0°
C17	C18	C19	O4	72.3°	90.0°
C17	C18	C19	N3	106.6°	90.0°
C17	C18	N4	C24	167.8°	90.0°
C17	C18	N4	HN4	12.2°	90.0°
H171	C17	C18	C19	55.4°	90.0°
H171	C17	C18	N4	178.3°	90.0°
H171	C17	C18	H18	64.1°	90.0°
H172	C17	C18	C19	54.1°	90.0°
H172	C17	C18	N4	72.2°	90.0°
H172	C17	C18	H18	173.6°	90.0°
C19	C18	N4	H18	119.3°	90.0°
C18	C19	O4	N3	178.9°	90.0°
C19	C18	N4	C24	76.9°	90.0°
C19	C18	N4	HN4	103.0°	90.0°
C18	C19	N3	C27	169.0°	90.0°
C18	C19	N3	HN3	10.9°	90.0°
N4	C18	C19	O4	167.4°	90.0°
N4	C18	C19	N3	13.8°	90.0°
C18	N4	C24	HN4	180.0°	90.0°
C18	N4	C24	O7	7.2°	90.0°
C18	N4	C24	C20	173.3°	90.0°
H18	C18	C19	O4	53.3°	90.0°
H18	C18	C19	N3	127.8°	90.0°
H18	C18	N4	C24	42.4°	90.0°
H18	C18	N4	HN4	137.6°	90.0°
O4	C19	N3	C27	9.9°	90.0°
O4	C19	N3	HN3	170.2°	90.0°
C19	N3	C27	HN3	180.0°	90.0°
C19	N3	C27	C28	169.7°	90.0°
C19	N3	C27	C29	68.8°	90.0°
C19	N3	C27	H27	49.3°	90.0°
N4	C24	O7	C20	179.2°	90.0°
N4	C24	C20	C21	171.0°	90.0°
N4	C24	C20	H201	63.7°	90.0°
N4	C24	C20	H202	45.7°	90.0°
HN4	N4	C24	O7	172.8°	90.0°
HN4	N4	C24	C20	6.7°	90.0°
N3	C27	C28	C29	118.9°	90.0°
N3	C27	C28	H27	122.9°	90.0°
N3	C27	C29	H27	122.9°	90.0°
N3	C27	C28	H281	180.0°	90.0°
N3	C27	C28	H282	54.8°	90.0°
N3	C27	C28	H283	54.7°	90.0°
N3	C27	C29	O8	27.1°	90.0°
N3	C27	C29	N6	151.9°	90.0°
HN3	N3	C27	C28	10.4°	90.0°
HN3	N3	C27	C29	111.2°	90.0°
HN3	N3	C27	H27	130.7°	90.0°
O7	C24	C20	C21	9.8°	90.0°
O7	C24	C20	H201	115.5°	90.0°
O7	C24	C20	H202	135.1°	90.0°
C24	C20	C21	H201	125.3°	90.0°
C24	C20	C21	H202	125.3°	90.0°
C24	C20	H201	H202	117.5°	90.0°
C24	C20	C21	C22	178.1°	90.0°
C24	C20	C21	H211	52.9°	90.0°
C24	C20	C21	H212	56.7°	90.0°
C21	C20	H201	H202	117.5°	90.0°
C20	C21	C22	H211	125.2°	90.0°
C20	C21	C22	H212	125.3°	90.0°
C20	C21	H211	H212	118.8°	90.0°
C20	C21	C22	C23	44.6°	90.0°
C20	C21	C22	N5	168.2°	90.0°
C20	C21	C22	H22	76.6°	90.0°
H201	C20	C21	C22	56.6°	90.0°
H201	C20	C21	H211	178.2°	90.0°
H201	C20	C21	H212	68.6°	90.0°
H202	C20	C21	C22	52.8°	90.0°
H202	C20	C21	H211	72.4°	90.0°
H202	C20	C21	H212	178.1°	90.0°
C30	C25	H251	H252	125.2°	90.0°
C30	C25	H251	H253	125.2°	90.0°
C30	C25	H252	H253	116.7°	90.0°
C25	C30	N6	C29	179.6°	90.0°
C25	C30	N6	C31	112.0°	90.0°
C25	C30	N6	H30	123.9°	90.0°
C25	C30	N6	HN6	0.4°	90.0°
C25	C30	C31	H30	123.3°	90.0°
C25	C30	C31	O9	111.8°	90.0°
C25	C30	C31	O10	64.2°	90.0°
H251	C25	H252	H253	116.7°	90.0°
H251	C25	C30	N6	180.0°	90.0°
H251	C25	C30	C31	60.0°	90.0°
H251	C25	C30	H30	63.5°	90.0°
H252	C25	C30	N6	54.8°	90.0°
H252	C25	C30	C31	65.3°	90.0°
H252	C25	C30	H30	171.2°	90.0°
H253	C25	C30	N6	54.8°	90.0°
H253	C25	C30	C31	174.8°	90.0°
H253	C25	C30	H30	61.7°	90.0°
C28	C27	C29	H27	120.5°	90.0°
C27	C28	H281	H282	125.2°	90.0°
C27	C28	H281	H283	125.3°	90.0°
C27	C28	H282	H283	119.8°	90.0°
C28	C27	C29	O8	89.5°	90.0°
C28	C27	C29	N6	91.5°	90.0°
C29	C27	C28	H281	61.1°	90.0°
C29	C27	C28	H282	64.2°	90.0°
C29	C27	C28	H283	173.6°	90.0°
C27	C29	O8	N6	178.8°	90.0°
C27	C29	N6	C30	171.4°	90.0°
C27	C29	N6	HN6	8.6°	90.0°
H27	C27	C28	H281	57.1°	90.0°
H27	C27	C28	H282	177.6°	90.0°
H27	C27	C28	H283	68.2°	90.0°
H27	C27	C29	O8	150.0°	90.0°
H27	C27	C29	N6	29.0°	90.0°
H281	C28	H282	H283	119.8°	90.0°
O8	C29	N6	C30	9.7°	90.0°
O8	C29	N6	HN6	170.3°	90.0°
C29	N6	C30	HN6	180.0°	90.0°
C29	N6	C30	C31	68.4°	90.0°
C29	N6	C30	H30	55.7°	90.0°
N6	C30	C31	H30	116.4°	90.0°
N6	C30	C31	O9	8.5°	90.0°
N6	C30	C31	O10	175.4°	90.0°
HN6	N6	C30	C31	111.6°	90.0°
HN6	N6	C30	H30	124.3°	90.0°
C30	C31	O9	O10	175.6°	90.0°
C30	C31	O10	HO10	179.9°	90.0°
H30	C30	C31	O9	125.0°	90.0°
H30	C30	C31	O10	59.0°	90.0°
O9	C31	O10	HO10	4.3°	90.0°
C22	C21	H211	H212	118.8°	90.0°
C21	C22	C23	N5	124.5°	90.0°
C21	C22	C23	H22	120.2°	90.0°
C21	C22	N5	H22	119.9°	90.0°
C21	C22	C23	O5	46.2°	90.0°
C21	C22	C23	O6	133.5°	90.0°
C21	C22	N5	C26	97.2°	90.0°
C21	C22	N5	HN5	82.8°	90.0°
H211	C21	C22	C23	169.8°	90.0°
H211	C21	C22	N5	66.6°	90.0°
H211	C21	C22	H22	48.6°	90.0°
H212	C21	C22	C23	80.6°	90.0°
H212	C21	C22	N5	42.9°	90.0°
H212	C21	C22	H22	158.2°	90.0°
C23	C22	N5	H22	120.9°	90.0°
C22	C23	O5	O6	179.6°	90.0°
C23	C22	N5	C26	22.0°	90.0°
C23	C22	N5	HN5	157.9°	90.0°
C22	C23	O5	HO5	180.0°	90.0°
N5	C22	C23	O5	78.3°	90.0°
N5	C22	C23	O6	102.1°	90.0°
C22	N5	C26	HN5	180.0°	90.0°
C22	N5	C26	C32	136.4°	90.0°
C22	N5	C26	O12	79.6°	90.0°
H22	C22	C23	O5	166.5°	90.0°
H22	C22	C23	O6	13.2°	90.0°
H22	C22	N5	C26	142.9°	90.0°
H22	C22	N5	HN5	37.1°	90.0°
O6	C23	O5	HO5	0.3°	90.0°
N5	C26	C32	O12	145.8°	90.0°
N5	C26	C32	H321	179.9°	90.0°
N5	C26	C32	H322	54.7°	90.0°
N5	C26	C32	H323	54.7°	90.0°
HN5	N5	C26	C32	43.6°	90.0°
HN5	N5	C26	O12	100.5°	90.0°
C26	C32	H321	H322	125.2°	90.0°
C26	C32	H321	H323	125.3°	90.0°
C26	C32	H322	H323	114.8°	90.0°
O12	C26	C32	H321	34.3°	90.0°
O12	C26	C32	H322	159.5°	90.0°
O12	C26	C32	H323	91.1°	90.0°
H321	C32	H322	H323	114.9°	90.0°

Definition date:	2001-01-09
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	1HVB