1JL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C27	C3	sing	1.51Å	1.49Å
C23	C24	doub	1.38Å	1.43Å	Aromatic
C23	C22	sing	1.38Å	1.43Å	Aromatic
C24	C25	sing	1.38Å	1.42Å	Aromatic
C22	C21	doub	1.39Å	1.43Å	Aromatic
C3	C2	doub	1.38Å	1.43Å	Aromatic
C3	C4	sing	1.38Å	1.43Å	Aromatic
C25	C26	doub	1.38Å	1.43Å	Aromatic
C2	C1	sing	1.38Å	1.41Å	Aromatic
C4	C5	doub	1.38Å	1.41Å	Aromatic
C21	C26	sing	1.39Å	1.44Å	Aromatic
C21	O20	sing	1.36Å	1.43Å
C14	C13	doub	1.37Å	1.39Å	Aromatic
C14	C15	sing	1.39Å	1.42Å	Aromatic
C1	C6	doub	1.38Å	1.42Å	Aromatic
C13	C12	sing	1.40Å	1.42Å	Aromatic
C5	C6	sing	1.38Å	1.42Å	Aromatic
O20	C15	sing	1.36Å	1.40Å
C15	C16	doub	1.39Å	1.44Å	Aromatic
C6	S7	sing	1.76Å	1.77Å
C12	C17	sing	1.47Å	1.46Å
C12	C11	doub	1.41Å	1.46Å	Aromatic
O19	C17	doub	1.22Å	1.36Å
C17	O18	sing	1.35Å	1.23Å
C16	C11	sing	1.39Å	1.44Å	Aromatic
C11	N10	sing	1.39Å	1.50Å
S7	N10	sing	1.66Å	1.78Å
S7	O9	doub	1.42Å	1.47Å
S7	O8	doub	1.42Å	1.47Å
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C4	H3	sing	1.08Å	1.08Å
C5	H4	sing	1.08Å	1.08Å
N10	H5	sing	0.97Å	1.00Å
C13	H6	sing	1.08Å	1.08Å
C14	H7	sing	1.08Å	1.08Å
C16	H8	sing	1.08Å	1.08Å
O18	H9	sing	0.97Å	0.95Å
C22	H10	sing	1.08Å	1.08Å
C23	H11	sing	1.08Å	1.08Å
C24	H12	sing	1.08Å	1.08Å
C25	H13	sing	1.08Å	1.08Å
C26	H14	sing	1.08Å	1.08Å
C27	H15	sing	1.09Å	1.10Å
C27	H16	sing	1.09Å	1.10Å
C27	H17	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C27	C3	C2	119.9°	120.1°
C27	C3	C4	120.4°	120.0°
C3	C27	H15	109.5°	109.4°
C3	C27	H16	109.5°	109.5°
C3	C27	H17	109.5°	109.4°
C24	C23	C22	120.5°	120.0°
C23	C24	C25	119.9°	120.1°
C24	C23	H11	119.7°	120.0°
C23	C24	H12	120.0°	119.9°
C23	C22	C21	120.0°	120.0°
C23	C22	H10	120.0°	120.0°
C22	C23	H11	119.7°	120.0°
C24	C25	C26	120.0°	120.1°
C25	C24	H12	120.0°	119.9°
C24	C25	H13	120.0°	120.0°
C22	C21	C26	119.1°	119.8°
C22	C21	O20	124.1°	120.1°
C21	C22	H10	120.0°	120.0°
C2	C3	C4	119.7°	119.9°
C3	C2	C1	120.1°	120.0°
C3	C2	H2	120.0°	119.9°
C3	C4	C5	120.5°	120.0°
C3	C4	H3	119.7°	120.0°
C25	C26	C21	120.4°	119.9°
C26	C25	H13	120.0°	120.0°
C25	C26	H14	119.8°	120.1°
C2	C1	C6	119.5°	120.0°
C2	C1	H1	120.3°	120.0°
C1	C2	H2	120.0°	120.0°
C4	C5	C6	119.0°	120.0°
C5	C4	H3	119.7°	120.0°
C4	C5	H4	120.5°	120.0°
C26	C21	O20	116.8°	120.1°
C21	C26	H14	119.8°	120.0°
C21	O20	C15	122.3°	118.0°
C13	C14	C15	120.1°	120.5°
C14	C13	C12	121.0°	120.1°
C14	C13	H6	119.5°	120.0°
C13	C14	H7	119.9°	119.7°
C14	C15	O20	121.8°	119.9°
C14	C15	C16	120.5°	120.3°
C15	C14	H7	119.9°	119.8°
C1	C6	C5	121.2°	120.0°
C1	C6	S7	119.5°	120.0°
C6	C1	H1	120.3°	120.0°
C13	C12	C17	118.2°	120.2°
C13	C12	C11	120.7°	119.7°
C12	C13	H6	119.5°	119.9°
C5	C6	S7	119.3°	120.0°
C6	C5	H4	120.5°	120.0°
O20	C15	C16	117.8°	119.8°
C15	C16	C11	120.1°	119.9°
C15	C16	H8	120.0°	120.0°
C6	S7	N10	106.4°	107.3°
C6	S7	O9	105.7°	106.4°
C6	S7	O8	106.9°	106.4°
C17	C12	C11	121.1°	120.1°
C12	C17	O19	113.2°	120.1°
C12	C17	O18	124.8°	120.0°
C12	C11	C16	117.7°	119.6°
C12	C11	N10	120.4°	120.2°
O19	C17	O18	122.0°	120.0°
C17	O18	H9	109.5°	117.0°
C16	C11	N10	121.9°	120.2°
C11	C16	H8	120.0°	120.1°
C11	N10	S7	125.7°	120.0°
C11	N10	H5	105.3°	119.9°
N10	S7	O9	110.1°	106.4°
N10	S7	O8	109.2°	106.4°
S7	N10	H5	105.3°	120.0°
O9	S7	O8	117.8°	123.1°
H15	C27	H16	109.5°	109.4°
H15	C27	H17	109.4°	109.5°
H16	C27	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C27	C3	C2	C4	179.9°	180.0°
C27	C3	C2	C1	180.0°	179.9°
C27	C3	C4	C5	180.0°	179.9°
C27	C3	C2	H2	0.0°	0.0°
C27	C3	C4	H3	0.0°	0.1°
C3	C27	H15	H16	120.0°	120.0°
C3	C27	H15	H17	120.0°	119.9°
C3	C27	H16	H17	120.0°	120.0°
C24	C23	C22	H11	180.0°	180.0°
C23	C24	C25	H12	180.0°	180.0°
C24	C23	C22	C21	0.2°	0.0°
C23	C24	C25	C26	0.3°	0.0°
C24	C23	C22	H10	179.8°	180.0°
C23	C24	C25	H13	179.7°	179.9°
C22	C23	C24	C25	0.3°	0.0°
C23	C22	C21	H10	180.0°	180.0°
C23	C22	C21	C26	0.0°	0.1°
C23	C22	C21	O20	179.9°	179.7°
C22	C23	C24	H12	179.6°	180.0°
C24	C25	C26	H13	180.0°	179.9°
C24	C25	C26	C21	0.2°	0.0°
C25	C24	C23	H11	179.7°	180.0°
C24	C25	C26	H14	179.8°	179.7°
C22	C21	C26	C25	0.0°	0.0°
C22	C21	C26	O20	180.0°	179.8°
C22	C21	O20	C15	87.9°	176.0°
C21	C22	C23	H11	179.8°	180.0°
C22	C21	C26	H14	180.0°	179.7°
C3	C2	C1	H2	180.0°	180.0°
C2	C3	C4	C5	0.1°	0.0°
C3	C2	C1	C6	0.1°	0.0°
C3	C2	C1	H1	179.9°	179.8°
C2	C3	C4	H3	179.9°	179.9°
C2	C3	C27	H15	90.0°	90.0°
C2	C3	C27	H16	150.0°	150.0°
C2	C3	C27	H17	29.9°	30.0°
C4	C3	C2	C1	0.1°	0.0°
C3	C4	C5	H3	180.0°	179.9°
C3	C4	C5	C6	0.0°	0.0°
C4	C3	C2	H2	180.0°	180.0°
C3	C4	C5	H4	179.9°	180.0°
C4	C3	C27	H15	90.0°	90.0°
C4	C3	C27	H16	30.0°	30.0°
C4	C3	C27	H17	150.0°	150.0°
C25	C26	C21	H14	180.0°	179.7°
C25	C26	C21	O20	179.9°	179.7°
C26	C25	C24	H12	179.6°	180.0°
C2	C1	C6	H1	180.0°	179.7°
C2	C1	C6	C5	0.1°	0.0°
C2	C1	C6	S7	179.8°	179.7°
C4	C5	C6	C1	0.1°	0.0°
C4	C5	C6	H4	180.0°	180.0°
C4	C5	C6	S7	179.9°	179.7°
C26	C21	O20	C15	92.1°	4.2°
C26	C21	C22	H10	179.9°	179.9°
C21	C26	C25	H13	179.8°	180.0°
C21	O20	C15	C14	16.6°	102.9°
C21	O20	C15	C16	163.8°	77.4°
O20	C21	C22	H10	0.1°	0.3°
O20	C21	C26	H14	0.1°	0.1°
C13	C14	C15	H7	180.0°	180.0°
C14	C13	C12	H6	180.0°	180.0°
C13	C14	C15	O20	179.7°	180.0°
C13	C14	C15	C16	0.2°	0.3°
C14	C13	C12	C17	179.7°	180.0°
C14	C13	C12	C11	0.3°	0.1°
C15	C14	C13	C12	0.2°	0.1°
C14	C15	O20	C16	179.5°	179.7°
C14	C15	C16	C11	0.2°	0.6°
C15	C14	C13	H6	179.8°	180.0°
C14	C15	C16	H8	179.8°	180.0°
C1	C6	C5	S7	180.0°	179.7°
C1	C6	S7	N10	93.5°	90.0°
C1	C6	S7	O9	23.6°	23.6°
C1	C6	S7	O8	149.8°	156.5°
C6	C1	C2	H2	179.9°	180.0°
C1	C6	C5	H4	179.9°	180.0°
C13	C12	C17	C11	180.0°	179.9°
C13	C12	C17	O19	33.1°	180.0°
C13	C12	C17	O18	146.3°	0.1°
C13	C12	C11	C16	0.3°	0.3°
C13	C12	C11	N10	179.7°	180.0°
C12	C13	C14	H7	179.8°	180.0°
C5	C6	S7	N10	86.5°	90.3°
C5	C6	S7	O9	156.5°	156.2°
C5	C6	S7	O8	30.2°	23.3°
C5	C6	C1	H1	179.9°	179.7°
C6	C5	C4	H3	179.9°	179.9°
O20	C15	C16	C11	179.7°	179.7°
O20	C15	C14	H7	0.3°	0.0°
O20	C15	C16	H8	0.3°	0.3°
C15	C16	C11	C12	0.2°	0.6°
C15	C16	C11	H8	180.0°	179.4°
C15	C16	C11	N10	179.7°	179.8°
C16	C15	C14	H7	179.8°	179.7°
C6	S7	N10	C11	46.8°	61.1°
C6	S7	N10	O9	114.1°	113.6°
C6	S7	N10	O8	115.1°	113.6°
C6	S7	O9	O8	119.3°	123.0°
S7	C6	C1	H1	0.2°	0.0°
S7	C6	C5	H4	0.1°	0.3°
C6	S7	N10	H5	75.4°	118.9°
C12	C17	O19	O18	179.4°	180.0°
C17	C12	C11	C16	179.7°	179.8°
C17	C12	C11	N10	0.3°	0.1°
C17	C12	C13	H6	0.3°	0.1°
C12	C17	O18	H9	179.4°	180.0°
C11	C12	C17	O19	146.9°	0.1°
C11	C12	C17	O18	33.7°	180.0°
C12	C11	C16	N10	179.4°	179.6°
C12	C11	N10	S7	134.6°	143.9°
C12	C11	N10	H5	12.4°	36.1°
C11	C12	C13	H6	179.7°	179.9°
C12	C11	C16	H8	179.8°	180.0°
O19	C17	O18	H9	0.0°	0.0°
C16	C11	N10	S7	46.0°	35.7°
C16	C11	N10	H5	168.2°	144.3°
C11	N10	S7	H5	122.2°	180.0°
C11	N10	S7	O9	67.3°	174.7°
C11	N10	S7	O8	161.9°	52.5°
N10	C11	C16	H8	0.4°	0.3°
N10	S7	O9	O8	126.2°	122.9°
O9	S7	N10	H5	170.5°	5.3°
O8	S7	N10	H5	39.7°	127.5°
H1	C1	C2	H2	0.1°	0.3°
H3	C4	C5	H4	0.1°	0.1°
H6	C13	C14	H7	0.2°	0.0°
H10	C22	C23	H11	0.2°	0.0°
H11	C23	C24	H12	0.3°	0.1°
H12	C24	C25	H13	0.3°	0.1°
H13	C25	C26	H14	0.2°	0.4°
H15	C27	H16	H17	120.0°	120.0°

Release date:	2013-04-17
Definition date:	2013-02-15
Last modified:	2013-04-12
Release status:	REL
Processing site:	RCSB
Derived from:	4J0A