2SM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C24	O23	sing	1.45Å	1.45Å
O23	C22	sing	1.35Å	1.34Å
C22	O25	doub	1.22Å	1.22Å
C22	C4	sing	1.48Å	1.54Å
C4	C3	doub	1.40Å	1.40Å	Aromatic
C4	C5	sing	1.40Å	1.41Å	Aromatic
C3	C2	sing	1.38Å	1.40Å	Aromatic
C2	C1	doub	1.38Å	1.40Å	Aromatic
C1	C6	sing	1.38Å	1.39Å	Aromatic
C6	C5	doub	1.38Å	1.40Å	Aromatic
C5	S7	sing	1.76Å	1.77Å
S7	O18	doub	1.42Å	1.43Å
S7	O17	doub	1.42Å	1.50Å
S7	N8	sing	1.66Å	1.66Å
N8	C9	sing	1.35Å	1.34Å
C9	O20	doub	1.22Å	1.23Å
C9	N10	sing	1.35Å	1.35Å
N10	C11	sing	1.39Å	1.34Å
C11	N12	doub	1.32Å	1.40Å	Aromatic
C11	N16	sing	1.32Å	1.40Å	Aromatic
N12	C13	sing	1.32Å	1.40Å	Aromatic
C13	C28	sing	1.51Å	1.53Å
C13	C14	doub	1.39Å	1.54Å	Aromatic
C14	C15	sing	1.39Å	1.40Å	Aromatic
C15	N16	doub	1.32Å	1.40Å	Aromatic
C24	H24	sing	1.09Å	1.10Å
C24	H24A	sing	1.09Å	1.10Å
C24	H24B	sing	1.09Å	1.10Å
C3	H3	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C1	H1	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
N8	HN8	sing	0.97Å	1.00Å
N10	HN10	sing	0.97Å	1.00Å
C28	H28	sing	1.09Å	1.10Å
C28	H28A	sing	1.09Å	1.10Å
C28	H28B	sing	1.09Å	1.10Å
C14	H14	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C24	O23	C22	107.4°	117.0°
O23	C24	H24	109.5°	109.5°
O23	C24	H24A	109.5°	109.5°
O23	C24	H24B	109.4°	109.5°
O23	C22	O25	115.9°	120.0°
O23	C22	C4	121.7°	120.0°
O25	C22	C4	122.4°	120.0°
C22	C4	C3	118.7°	120.2°
C22	C4	C5	123.6°	120.2°
C3	C4	C5	117.8°	119.7°
C4	C3	C2	121.0°	119.9°
C4	C3	H3	119.5°	120.1°
C4	C5	C6	121.5°	119.9°
C4	C5	S7	123.5°	120.1°
C3	C2	C1	120.3°	120.1°
C2	C3	H3	119.5°	120.1°
C3	C2	H2	119.8°	119.9°
C2	C1	C6	119.6°	120.4°
C1	C2	H2	119.8°	119.9°
C2	C1	H1	120.2°	119.8°
C1	C6	C5	119.7°	120.1°
C6	C1	H1	120.2°	119.8°
C1	C6	H6	120.1°	120.0°
C6	C5	S7	115.0°	120.1°
C5	C6	H6	120.2°	119.9°
C5	S7	O18	110.3°	106.4°
C5	S7	O17	107.5°	106.4°
C5	S7	N8	115.0°	107.2°
O18	S7	O17	109.1°	123.2°
O18	S7	N8	108.2°	106.4°
O17	S7	N8	106.6°	106.4°
S7	N8	C9	120.5°	120.0°
S7	N8	HN8	119.8°	120.0°
N8	C9	O20	124.4°	120.0°
N8	C9	N10	115.2°	120.0°
C9	N8	HN8	119.8°	120.0°
O20	C9	N10	120.4°	120.0°
C9	N10	C11	126.8°	120.0°
C9	N10	HN10	116.6°	120.0°
N10	C11	N12	118.4°	119.2°
N10	C11	N16	122.6°	119.3°
C11	N10	HN10	116.6°	120.0°
N12	C11	N16	119.0°	121.5°
C11	N12	C13	120.5°	120.7°
C11	N16	C15	122.1°	120.8°
N12	C13	C28	118.6°	120.4°
N12	C13	C14	121.8°	119.2°
C28	C13	C14	119.6°	120.4°
C13	C28	H28	109.5°	109.5°
C13	C28	H28A	109.5°	109.5°
C13	C28	H28B	109.5°	109.5°
C13	C14	C15	113.1°	118.5°
C13	C14	H14	123.4°	120.7°
C14	C15	N16	123.4°	119.2°
C15	C14	H14	123.4°	120.8°
C14	C15	H15	118.3°	120.4°
N16	C15	H15	118.3°	120.4°
H24	C24	H24A	109.5°	109.5°
H24	C24	H24B	109.5°	109.5°
H24A	C24	H24B	109.5°	109.5°
H28	C28	H28A	109.4°	109.6°
H28	C28	H28B	109.4°	109.4°
H28A	C28	H28B	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C24	O23	C22	O25	70.8°	5.2°
C24	O23	C22	C4	108.2°	174.8°
O23	C24	H24	H24A	120.0°	120.0°
O23	C24	H24	H24B	120.0°	120.0°
O23	C24	H24A	H24B	120.0°	120.0°
O23	C22	O25	C4	179.0°	180.0°
O23	C22	C4	C3	1.5°	6.5°
O23	C22	C4	C5	178.7°	173.3°
C22	O23	C24	H24	136.0°	64.8°
C22	O23	C24	H24A	104.0°	55.2°
C22	O23	C24	H24B	16.1°	175.2°
O25	C22	C4	C3	179.6°	173.5°
O25	C22	C4	C5	0.2°	6.7°
C22	C4	C3	C5	179.9°	179.7°
C22	C4	C3	C2	179.6°	180.0°
C22	C4	C5	C6	179.6°	179.7°
C22	C4	C5	S7	0.6°	0.0°
C22	C4	C3	H3	0.3°	0.0°
C4	C3	C2	H3	180.0°	180.0°
C4	C3	C2	C1	0.1°	0.1°
C3	C4	C5	C6	0.3°	0.5°
C3	C4	C5	S7	179.5°	179.7°
C4	C3	C2	H2	179.9°	180.0°
C5	C4	C3	C2	0.2°	0.2°
C4	C5	C6	C1	0.2°	0.5°
C4	C5	C6	S7	179.8°	179.8°
C4	C5	S7	O18	86.1°	174.9°
C4	C5	S7	O17	155.1°	52.1°
C4	C5	S7	N8	36.6°	61.4°
C5	C4	C3	H3	179.8°	179.8°
C4	C5	C6	H6	179.9°	179.7°
C3	C2	C1	H2	180.0°	179.9°
C3	C2	C1	C6	0.0°	0.0°
C3	C2	C1	H1	179.9°	180.0°
C2	C1	C6	H1	180.0°	180.0°
C2	C1	C6	C5	0.0°	0.3°
C1	C2	C3	H3	179.9°	179.9°
C2	C1	C6	H6	180.0°	180.0°
C1	C6	C5	H6	180.0°	179.7°
C1	C6	C5	S7	179.7°	179.7°
C6	C1	C2	H2	179.9°	180.0°
C6	C5	S7	O18	94.1°	4.8°
C6	C5	S7	O17	24.7°	128.1°
C6	C5	S7	N8	143.2°	118.4°
C5	C6	C1	H1	180.0°	179.7°
C5	S7	O18	O17	117.8°	122.9°
C5	S7	O18	N8	126.6°	114.1°
C5	S7	O17	N8	123.8°	114.1°
C5	S7	N8	C9	46.0°	63.7°
S7	C5	C6	H6	0.3°	0.0°
C5	S7	N8	HN8	134.0°	116.3°
O18	S7	O17	N8	116.6°	123.0°
O18	S7	N8	C9	169.8°	49.8°
O18	S7	N8	HN8	10.2°	130.2°
O17	S7	N8	C9	73.0°	177.2°
O17	S7	N8	HN8	107.0°	2.8°
S7	N8	C9	HN8	180.0°	180.0°
S7	N8	C9	O20	0.7°	5.0°
S7	N8	C9	N10	178.1°	174.9°
N8	C9	O20	N10	178.7°	180.0°
N8	C9	N10	C11	179.5°	175.0°
N8	C9	N10	HN10	0.5°	4.9°
O20	C9	N10	C11	0.7°	5.0°
O20	C9	N8	HN8	179.3°	175.0°
O20	C9	N10	HN10	179.4°	175.0°
C9	N10	C11	HN10	180.0°	179.9°
C9	N10	C11	N12	179.1°	174.9°
C9	N10	C11	N16	0.1°	4.8°
N10	C9	N8	HN8	1.9°	5.1°
N10	C11	N12	N16	179.3°	179.7°
N10	C11	N12	C13	180.0°	179.9°
N10	C11	N16	C15	179.9°	179.8°
C11	N12	C13	C28	179.6°	180.0°
C11	N12	C13	C14	0.5°	0.1°
N12	C11	N16	C15	0.6°	0.5°
N12	C11	N10	HN10	0.8°	5.2°
N16	C11	N12	C13	0.7°	0.2°
C11	N16	C15	C14	0.2°	0.5°
N16	C11	N10	HN10	179.9°	175.1°
C11	N16	C15	H15	179.8°	179.7°
N12	C13	C28	C14	179.9°	180.0°
N12	C13	C14	C15	0.1°	0.1°
N12	C13	C28	H28	80.7°	90.0°
N12	C13	C28	H28A	159.3°	149.9°
N12	C13	C28	H28B	39.2°	30.0°
N12	C13	C14	H14	179.9°	180.0°
C28	C13	C14	C15	180.0°	180.0°
C13	C28	H28	H28A	120.0°	120.0°
C13	C28	H28	H28B	120.0°	120.0°
C13	C28	H28A	H28B	120.0°	120.0°
C28	C13	C14	H14	0.0°	0.0°
C13	C14	C15	H14	180.0°	180.0°
C13	C14	C15	N16	0.1°	0.2°
C14	C13	C28	H28	99.3°	90.0°
C14	C13	C28	H28A	20.6°	30.1°
C14	C13	C28	H28B	140.7°	150.0°
C13	C14	C15	H15	180.0°	180.0°
C14	C15	N16	H15	180.0°	179.8°
N16	C15	C14	H14	180.0°	179.7°
H24	C24	H24A	H24B	120.0°	120.0°
H3	C3	C2	H2	0.1°	0.0°
H2	C2	C1	H1	0.1°	0.0°
H1	C1	C6	H6	0.0°	0.0°
H28	C28	H28A	H28B	119.9°	120.0°
H14	C14	C15	H15	0.0°	0.1°

Definition date:	2008-10-06
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ
Derived from:	3EA4