723

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C6	sing	1.38Å	1.35Å
N	C7	sing	1.34Å	1.34Å
CL	C14	sing	1.74Å	1.79Å
C1	C2	sing	1.51Å	1.51Å
C1	C3	doub	1.37Å	1.46Å
C1	C7	sing	1.41Å	1.50Å
O1	C7	doub	1.22Å	1.26Å
C2	C17	sing	1.51Å	1.52Å
O2	C17	sing	1.34Å	1.26Å
C3	C4	sing	1.48Å	1.47Å
C3	C5	sing	1.47Å	1.48Å
O3	C17	doub	1.21Å	1.24Å
C4	C8	doub	1.40Å	1.38Å	Aromatic
C4	C12	sing	1.40Å	1.39Å	Aromatic
C5	C6	doub	1.41Å	1.49Å	Aromatic
C5	C13	sing	1.40Å	1.38Å	Aromatic
C6	C16	sing	1.39Å	1.40Å	Aromatic
C8	C9	sing	1.38Å	1.39Å	Aromatic
C9	C10	doub	1.38Å	1.39Å	Aromatic
C10	C11	sing	1.38Å	1.39Å	Aromatic
C11	C12	doub	1.38Å	1.39Å	Aromatic
C13	C14	doub	1.38Å	1.39Å	Aromatic
C14	C15	sing	1.39Å	1.40Å	Aromatic
C15	C16	doub	1.38Å	1.39Å	Aromatic
N	HN	sing	0.97Å	1.00Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å
C8	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	N	C7	123.6°	121.3°
N	C6	C5	121.2°	119.7°
N	C6	C16	120.9°	120.9°
C6	N	HN	118.2°	119.3°
N	C7	C1	120.5°	121.8°
N	C7	O1	118.7°	119.1°
C7	N	HN	118.2°	119.4°
CL	C14	C13	117.9°	119.8°
CL	C14	C15	120.6°	119.8°
C2	C1	C3	116.9°	120.0°
C2	C1	C7	124.0°	120.0°
C1	C2	C17	106.7°	109.4°
C1	C2	H2	110.4°	109.4°
C1	C2	H2A	110.4°	109.5°
C3	C1	C7	119.1°	120.1°
C1	C3	C4	120.9°	120.8°
C1	C3	C5	117.2°	118.3°
C1	C7	O1	120.8°	119.1°
C2	C17	O2	120.8°	120.0°
C2	C17	O3	118.2°	120.0°
C17	C2	H2	110.4°	109.4°
C17	C2	H2A	110.4°	109.5°
O2	C17	O3	121.0°	120.0°
C17	O2	HO2	109.5°	117.0°
C4	C3	C5	121.6°	120.9°
C3	C4	C8	125.9°	120.2°
C3	C4	C12	113.6°	120.1°
C3	C5	C6	118.4°	118.9°
C3	C5	C13	120.4°	121.1°
C8	C4	C12	120.5°	119.7°
C4	C8	C9	117.8°	119.9°
C4	C8	H8	121.1°	120.1°
C4	C12	C11	121.3°	119.8°
C4	C12	H12	119.4°	120.1°
C6	C5	C13	121.2°	120.0°
C5	C6	C16	117.9°	119.4°
C5	C13	C14	118.5°	119.6°
C5	C13	H13	120.8°	120.2°
C6	C16	C15	119.2°	119.9°
C6	C16	H16	120.4°	120.0°
C8	C9	C10	122.2°	120.2°
C9	C8	H8	121.1°	120.0°
C8	C9	H9	118.9°	120.0°
C9	C10	C11	119.5°	120.3°
C10	C9	H9	118.9°	119.9°
C9	C10	H10	120.2°	119.9°
C10	C11	C12	118.7°	120.1°
C11	C10	H10	120.2°	119.9°
C10	C11	H11	120.7°	119.9°
C12	C11	H11	120.7°	119.9°
C11	C12	H12	119.4°	120.1°
C13	C14	C15	121.5°	120.4°
C14	C13	H13	120.8°	120.2°
C14	C15	C16	121.7°	120.6°
C14	C15	H15	119.1°	119.7°
C16	C15	H15	119.2°	119.7°
C15	C16	H16	120.4°	120.0°
H2	C2	H2A	108.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	N	C7	HN	180.0°	179.7°
C6	N	C7	C1	0.6°	0.0°
C6	N	C7	O1	179.6°	180.0°
N	C6	C5	C3	1.3°	0.1°
N	C6	C5	C16	180.0°	180.0°
N	C6	C5	C13	179.7°	180.0°
N	C6	C16	C15	179.8°	179.9°
N	C6	C16	H16	0.2°	0.0°
N	C7	C1	C2	179.4°	179.9°
N	C7	C1	C3	1.7°	0.0°
N	C7	C1	O1	179.8°	180.0°
C7	N	C6	C5	0.4°	0.0°
C7	N	C6	C16	179.6°	180.0°
CL	C14	C13	C5	179.9°	180.0°
CL	C14	C13	C15	179.9°	180.0°
CL	C14	C15	C16	179.6°	179.9°
CL	C14	C13	H13	0.1°	0.0°
CL	C14	C15	H15	0.4°	0.1°
C2	C1	C3	C7	177.8°	179.9°
C2	C1	C7	O1	0.8°	0.1°
C1	C2	C17	H2	120.0°	119.9°
C1	C2	C17	H2A	120.0°	120.0°
C1	C2	C17	O2	30.4°	180.0°
C2	C1	C3	C4	5.2°	0.0°
C2	C1	C3	C5	179.7°	180.0°
C1	C2	C17	O3	149.0°	0.0°
C1	C2	H2	H2A	121.1°	120.0°
C3	C1	C7	O1	178.5°	180.0°
C3	C1	C2	C17	98.2°	95.1°
C1	C3	C4	C5	174.2°	180.0°
C1	C3	C4	C8	94.1°	65.0°
C1	C3	C4	C12	85.9°	115.3°
C1	C3	C5	C6	2.3°	0.1°
C1	C3	C5	C13	179.2°	179.9°
C3	C1	C2	H2	141.8°	145.0°
C3	C1	C2	H2A	21.8°	25.0°
C7	C1	C2	C17	79.5°	85.0°
C7	C1	C3	C4	177.0°	179.9°
C7	C1	C3	C5	2.5°	0.1°
C1	C7	N	HN	179.3°	179.7°
C7	C1	C2	H2	40.6°	34.9°
C7	C1	C2	H2A	160.6°	155.0°
O1	C7	N	HN	0.5°	0.3°
C2	C17	O2	O3	179.3°	179.9°
C17	C2	H2	H2A	121.1°	120.1°
C2	C17	O2	HO2	179.3°	180.0°
O2	C17	C2	H2	150.4°	60.1°
O2	C17	C2	H2A	89.6°	60.0°
C3	C4	C8	C12	180.0°	179.7°
C4	C3	C5	C6	176.7°	179.9°
C4	C3	C5	C13	4.8°	0.0°
C3	C4	C8	C9	180.0°	179.9°
C3	C4	C12	C11	179.8°	179.8°
C3	C4	C8	H8	0.0°	0.0°
C3	C4	C12	H12	0.2°	0.1°
C5	C3	C4	C8	91.6°	115.0°
C5	C3	C4	C12	88.3°	64.7°
C3	C5	C6	C13	178.5°	180.0°
C3	C5	C6	C16	178.7°	180.0°
C3	C5	C13	C14	178.9°	180.0°
C3	C5	C13	H13	1.1°	0.0°
O3	C17	C2	H2	29.0°	120.0°
O3	C17	C2	H2A	91.0°	119.9°
O3	C17	O2	HO2	0.0°	0.0°
C4	C8	C9	H8	180.0°	180.0°
C4	C8	C9	C10	0.4°	0.0°
C8	C4	C12	C11	0.1°	0.5°
C4	C8	C9	H9	179.6°	179.9°
C8	C4	C12	H12	179.9°	179.8°
C12	C4	C8	C9	0.1°	0.2°
C4	C12	C11	C10	0.0°	0.6°
C4	C12	C11	H12	180.0°	179.7°
C12	C4	C8	H8	180.0°	179.8°
C4	C12	C11	H11	180.0°	179.7°
C6	C5	C13	C14	0.4°	0.0°
C5	C6	C16	C15	0.2°	0.0°
C5	C6	N	HN	179.6°	179.7°
C6	C5	C13	H13	179.6°	179.9°
C5	C6	C16	H16	179.8°	180.0°
C13	C5	C6	C16	0.2°	0.0°
C5	C13	C14	H13	180.0°	179.9°
C5	C13	C14	C15	0.2°	0.0°
C6	C16	C15	C14	0.5°	0.1°
C6	C16	C15	H16	180.0°	179.9°
C16	C6	N	HN	0.5°	0.3°
C6	C16	C15	H15	179.5°	180.0°
C8	C9	C10	H9	180.0°	179.9°
C8	C9	C10	C11	0.5°	0.0°
C8	C9	C10	H10	179.5°	179.9°
C9	C10	C11	H10	180.0°	179.9°
C9	C10	C11	C12	0.3°	0.3°
C10	C9	C8	H8	179.6°	180.0°
C9	C10	C11	H11	179.7°	180.0°
C10	C11	C12	H11	180.0°	179.7°
C11	C10	C9	H9	179.5°	179.9°
C10	C11	C12	H12	180.0°	179.7°
C12	C11	C10	H10	179.7°	179.7°
C13	C14	C15	C16	0.3°	0.1°
C13	C14	C15	H15	179.7°	179.9°
C14	C15	C16	H15	180.0°	179.9°
C15	C14	C13	H13	179.8°	180.0°
C14	C15	C16	H16	179.6°	180.0°
H8	C8	C9	H9	0.4°	0.1°
H9	C9	C10	H10	0.5°	0.0°
H10	C10	C11	H11	0.3°	0.0°
H11	C11	C12	H12	0.0°	0.0°
H15	C15	C16	H16	0.5°	0.1°

Definition date:	2010-02-19
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ
Derived from:	3LPT