SNH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.39Å	1.38Å	Aromatic
C1	S5	sing	1.78Å	1.69Å	Aromatic
C1	C22	sing	1.47Å	1.48Å	Aromatic
C2	C3	sing	1.37Å	1.44Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C3	C4	doub	1.40Å	1.40Å	Aromatic
C3	N9	sing	1.39Å	1.41Å
C4	S5	sing	1.79Å	1.74Å	Aromatic
C4	C6	sing	1.41Å	1.48Å
C6	O7	sing	1.35Å	1.25Å
C6	O8	doub	1.22Å	1.25Å
O7	HO7	sing	0.97Å	0.95Å
N9	S11	sing	1.66Å	1.68Å
N9	HN9	sing	0.97Å	1.00Å
S11	O12	doub	1.42Å	1.44Å
S11	O13	doub	1.42Å	1.46Å
S11	C14	sing	1.76Å	1.81Å
C14	C15	doub	1.38Å	1.42Å	Aromatic
C14	C19	sing	1.38Å	1.44Å	Aromatic
C15	C16	sing	1.38Å	1.42Å	Aromatic
C15	H15	sing	1.08Å	1.08Å
C16	C17	doub	1.38Å	1.42Å	Aromatic
C16	H16	sing	1.08Å	1.08Å
C17	C18	sing	1.38Å	1.43Å	Aromatic
C17	C21	sing	1.51Å	1.50Å
C18	C19	doub	1.38Å	1.43Å	Aromatic
C18	H18	sing	1.08Å	1.08Å
C19	C20	sing	1.51Å	1.52Å
C20	H201	sing	1.09Å	1.10Å
C20	H202	sing	1.09Å	1.10Å
C20	H203	sing	1.09Å	1.10Å
C21	H211	sing	1.09Å	1.10Å
C21	H212	sing	1.09Å	1.10Å
C21	H213	sing	1.09Å	1.10Å
C22	C23	doub	1.39Å	1.38Å	Aromatic
C22	S26	sing	1.79Å	1.71Å	Aromatic
C23	C24	sing	1.36Å	1.41Å	Aromatic
C23	H23	sing	1.08Å	1.08Å
C24	C25	doub	1.39Å	1.39Å	Aromatic
C24	H24	sing	1.08Å	1.08Å
C25	S26	sing	1.79Å	1.72Å	Aromatic
C25	C27	sing	1.41Å	1.50Å
C27	C28	sing	1.51Å	1.52Å
C27	O29	doub	1.21Å	1.22Å
C28	H281	sing	1.09Å	1.10Å
C28	H282	sing	1.09Å	1.10Å
C28	H283	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	S5	110.7°	102.4°
C2	C1	C22	126.7°	128.8°
C1	C2	C3	114.4°	118.7°
C1	C2	H2	122.8°	120.6°
S5	C1	C22	122.6°	128.8°
C1	S5	C4	93.5°	98.3°
C1	C22	C23	124.9°	128.9°
C1	C22	S26	124.6°	128.9°
C3	C2	H2	122.8°	120.7°
C2	C3	C4	110.7°	118.3°
C2	C3	N9	124.8°	120.9°
C4	C3	N9	124.5°	120.8°
C3	C4	S5	110.7°	102.2°
C3	C4	C6	126.2°	128.9°
C3	N9	S11	126.1°	120.0°
C3	N9	HN9	104.3°	120.1°
S5	C4	C6	123.1°	128.9°
C4	C6	O7	117.8°	120.0°
C4	C6	O8	120.2°	120.0°
O7	C6	O8	122.0°	120.0°
C6	O7	HO7	109.5°	106.8°
S11	N9	HN9	104.3°	120.0°
N9	S11	O12	109.9°	105.8°
N9	S11	O13	107.0°	105.7°
N9	S11	C14	108.6°	107.4°
O12	S11	O13	113.3°	125.3°
O12	S11	C14	107.4°	105.8°
O13	S11	C14	110.6°	105.8°
S11	C14	C15	117.6°	120.0°
S11	C14	C19	123.1°	120.0°
C15	C14	C19	119.3°	120.0°
C14	C15	C16	121.2°	120.0°
C14	C15	H15	119.4°	120.1°
C14	C19	C18	118.3°	120.0°
C14	C19	C20	123.7°	120.0°
C16	C15	H15	119.4°	120.0°
C15	C16	C17	120.4°	120.0°
C15	C16	H16	119.8°	120.0°
C17	C16	H16	119.8°	120.0°
C16	C17	C18	118.5°	120.0°
C16	C17	C21	121.2°	120.0°
C18	C17	C21	120.4°	120.0°
C17	C18	C19	122.2°	120.0°
C17	C18	H18	118.9°	120.0°
C17	C21	H211	109.4°	109.5°
C17	C21	H212	109.5°	109.5°
C17	C21	H213	109.5°	109.5°
C19	C18	H18	118.9°	120.1°
C18	C19	C20	117.9°	119.9°
C19	C20	H201	109.5°	109.5°
C19	C20	H202	109.5°	109.5°
C19	C20	H203	109.5°	109.5°
H201	C20	H202	109.5°	109.4°
H201	C20	H203	109.4°	109.5°
H202	C20	H203	109.5°	109.4°
H211	C21	H212	109.5°	109.4°
H211	C21	H213	109.5°	109.5°
H212	C21	H213	109.5°	109.5°
C23	C22	S26	110.4°	102.2°
C22	C23	C24	113.4°	118.8°
C22	C23	H23	123.3°	120.6°
C22	S26	C25	93.2°	98.2°
C24	C23	H23	123.3°	120.6°
C23	C24	C25	112.6°	118.6°
C23	C24	H24	123.7°	120.7°
C25	C24	H24	123.7°	120.7°
C24	C25	S26	110.4°	102.2°
C24	C25	C27	125.1°	128.9°
S26	C25	C27	124.5°	128.9°
C25	C27	C28	119.5°	120.0°
C25	C27	O29	121.3°	120.0°
C28	C27	O29	119.2°	120.0°
C27	C28	H281	109.4°	109.4°
C27	C28	H282	109.5°	109.4°
C27	C28	H283	109.5°	109.5°
H281	C28	H282	109.5°	109.5°
H281	C28	H283	109.5°	109.5°
H282	C28	H283	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	S5	C22	179.8°	179.7°
C1	C2	C3	H2	180.0°	179.5°
C1	C2	C3	C4	0.1°	0.6°
C1	C2	C3	N9	179.6°	179.8°
C2	C1	S5	C4	0.2°	0.2°
C2	C1	C22	C23	152.5°	179.7°
C2	C1	C22	S26	27.5°	0.3°
S5	C1	C2	C3	0.1°	0.5°
S5	C1	C2	H2	179.9°	180.0°
C1	S5	C4	C3	0.3°	0.0°
C1	S5	C4	C6	179.8°	180.0°
S5	C1	C22	C23	27.3°	0.1°
S5	C1	C22	S26	152.8°	180.0°
C22	C1	C2	C3	179.9°	179.8°
C22	C1	C2	H2	0.1°	0.3°
C22	C1	S5	C4	180.0°	180.0°
C1	C22	C23	S26	180.0°	180.0°
C1	C22	C23	C24	179.9°	179.7°
C1	C22	C23	H23	0.1°	0.0°
C1	C22	S26	C25	179.8°	180.0°
C2	C3	C4	N9	179.7°	179.7°
C2	C3	C4	S5	0.2°	0.3°
C2	C3	C4	C6	179.8°	179.7°
C2	C3	N9	S11	35.2°	35.5°
C2	C3	N9	HN9	155.2°	144.4°
H2	C2	C3	C4	179.9°	180.0°
H2	C2	C3	N9	0.4°	0.3°
C3	C4	S5	C6	179.9°	180.0°
C3	C4	C6	O7	179.9°	180.0°
C3	C4	C6	O8	0.1°	0.0°
C4	C3	N9	S11	145.2°	144.8°
C4	C3	N9	HN9	25.1°	35.3°
N9	C3	C4	S5	179.4°	180.0°
N9	C3	C4	C6	0.5°	0.0°
C3	N9	S11	HN9	120.0°	179.9°
C3	N9	S11	O12	171.6°	179.8°
C3	N9	S11	O13	65.0°	45.1°
C3	N9	S11	C14	54.4°	67.5°
S5	C4	C6	O7	0.0°	0.0°
S5	C4	C6	O8	180.0°	180.0°
C4	C6	O7	O8	180.0°	180.0°
C4	C6	O7	HO7	180.0°	180.0°
O8	C6	O7	HO7	0.0°	0.0°
N9	S11	O12	O13	119.6°	123.1°
N9	S11	O12	C14	117.9°	113.8°
N9	S11	O13	C14	118.1°	113.8°
N9	S11	C14	C15	111.9°	116.4°
N9	S11	C14	C19	67.7°	63.9°
HN9	N9	S11	O12	51.6°	0.2°
HN9	N9	S11	O13	174.9°	135.0°
HN9	N9	S11	C14	65.6°	112.4°
O12	S11	O13	C14	120.7°	123.2°
O12	S11	C14	C15	129.3°	131.0°
O12	S11	C14	C19	51.0°	48.8°
O13	S11	C14	C15	5.2°	3.8°
O13	S11	C14	C19	175.2°	176.5°
S11	C14	C15	C19	179.7°	179.7°
S11	C14	C15	C16	179.7°	180.0°
S11	C14	C15	H15	0.3°	0.0°
S11	C14	C19	C18	179.7°	179.8°
S11	C14	C19	C20	0.2°	0.2°
C14	C15	C16	H15	180.0°	180.0°
C14	C15	C16	C17	0.0°	0.0°
C14	C15	C16	H16	179.9°	179.9°
C15	C14	C19	C18	0.1°	0.5°
C15	C14	C19	C20	179.8°	179.9°
C19	C14	C15	C16	0.1°	0.3°
C19	C14	C15	H15	180.0°	179.8°
C14	C19	C18	C17	0.1°	0.4°
C14	C19	C18	C20	179.9°	179.6°
C14	C19	C18	H18	179.9°	179.8°
C14	C19	C20	H201	73.5°	85.0°
C14	C19	C20	H202	166.4°	34.9°
C14	C19	C20	H203	46.4°	154.9°
C15	C16	C17	H16	180.0°	180.0°
C15	C16	C17	C18	0.1°	0.1°
C15	C16	C17	C21	180.0°	180.0°
H15	C15	C16	C17	180.0°	180.0°
H15	C15	C16	H16	0.1°	0.0°
C16	C17	C18	C21	179.9°	179.9°
C16	C17	C18	C19	0.0°	0.1°
C16	C17	C18	H18	180.0°	179.9°
C16	C17	C21	H211	145.1°	90.0°
C16	C17	C21	H212	25.1°	150.0°
C16	C17	C21	H213	94.9°	30.0°
H16	C16	C17	C18	179.9°	180.0°
H16	C16	C17	C21	0.0°	0.0°
C17	C18	C19	H18	180.0°	179.8°
C17	C18	C19	C20	179.9°	180.0°
C18	C17	C21	H211	34.8°	89.9°
C18	C17	C21	H212	154.8°	30.0°
C18	C17	C21	H213	85.2°	150.0°
C21	C17	C18	C19	180.0°	179.8°
C21	C17	C18	H18	0.0°	0.0°
C17	C21	H211	H212	120.0°	120.0°
C17	C21	H211	H213	120.0°	120.1°
C17	C21	H212	H213	120.0°	120.0°
C18	C19	C20	H201	106.4°	95.4°
C18	C19	C20	H202	13.7°	144.7°
C18	C19	C20	H203	133.7°	24.7°
H18	C18	C19	C20	0.1°	0.2°
C19	C20	H201	H202	120.0°	120.0°
C19	C20	H201	H203	120.0°	120.1°
C19	C20	H202	H203	120.0°	120.0°
H201	C20	H202	H203	120.0°	120.0°
H211	C21	H212	H213	120.0°	120.0°
C22	C23	C24	H23	180.0°	179.7°
C22	C23	C24	C25	0.0°	0.6°
C22	C23	C24	H24	180.0°	180.0°
C23	C22	S26	C25	0.1°	0.0°
S26	C22	C23	C24	0.1°	0.3°
S26	C22	C23	H23	179.9°	180.0°
C22	S26	C25	C24	0.1°	0.3°
C22	S26	C25	C27	179.8°	180.0°
C23	C24	C25	H24	180.0°	179.4°
C23	C24	C25	S26	0.1°	0.5°
C23	C24	C25	C27	179.8°	179.8°
H23	C23	C24	C25	180.0°	179.7°
H23	C23	C24	H24	0.0°	0.3°
C24	C25	S26	C27	179.9°	179.7°
C24	C25	C27	C28	0.1°	179.7°
C24	C25	C27	O29	179.8°	0.3°
H24	C24	C25	S26	179.9°	180.0°
H24	C24	C25	C27	0.2°	0.4°
S26	C25	C27	C28	179.9°	0.1°
S26	C25	C27	O29	0.1°	179.9°
C25	C27	C28	O29	180.0°	180.0°
C25	C27	C28	H281	24.0°	90.0°
C25	C27	C28	H282	144.0°	30.0°
C25	C27	C28	H283	95.9°	150.0°
C27	C28	H281	H282	120.0°	120.0°
C27	C28	H281	H283	120.0°	120.0°
C27	C28	H282	H283	120.0°	120.0°
O29	C27	C28	H281	156.0°	90.0°
O29	C27	C28	H282	36.0°	150.0°
O29	C27	C28	H283	84.1°	30.0°
H281	C28	H282	H283	120.0°	120.1°

Definition date:	2005-10-06
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	2D41