LN8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C10	sing	1.51Å	1.54Å
C11	C12	sing	1.49Å	1.53Å
C10	C15	sing	1.47Å	1.54Å
C12	N1	sing	1.50Å	1.47Å
C12	C13	sing	1.52Å	1.53Å
C13	C14	sing	1.51Å	1.54Å
C15	C14	sing	1.53Å	1.53Å
C10	H7	sing	1.09Å	1.10Å
C10	H8	sing	1.09Å	1.10Å
C11	H9	sing	1.09Å	1.10Å
C11	H10	sing	1.09Å	1.10Å
C12	H11	sing	1.09Å	1.10Å
C13	H13	sing	1.09Å	1.10Å
C13	H12	sing	1.09Å	1.10Å
C15	N2	sing	1.45Å	1.48Å
C15	H16	sing	1.09Å	1.10Å
C14	H15	sing	1.09Å	1.10Å
C14	H14	sing	1.09Å	1.10Å
N2	PT1	sing	2.12Å	4.42Å
N1	PT1	sing	2.13Å	4.48Å
CL2	PT1	sing	2.36Å	0.00Å
CL1	PT1	sing	2.36Å	0.00Å
N2	H3	sing	1.01Å	1.00Å
N2	H4	sing	1.01Å	1.00Å
N1	H2	sing	1.01Å	1.00Å
N1	H1	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C11	C12	112.1°	117.0°
C11	C10	C15	113.5°	116.7°
C11	C10	H7	108.4°	108.0°
C11	C10	H8	108.4°	108.0°
C10	C11	H9	108.8°	107.9°
C10	C11	H10	108.8°	108.0°
C11	C12	N1	110.4°	113.5°
C11	C12	C13	111.7°	113.6°
C12	C11	H9	108.8°	108.0°
C12	C11	H10	108.8°	107.9°
C11	C12	H11	107.3°	107.7°
C10	C15	C14	112.0°	109.5°
C15	C10	H7	108.5°	108.0°
C15	C10	H8	108.5°	108.0°
C10	C15	N2	112.2°	122.0°
C10	C15	H16	106.4°	104.7°
N1	C12	C13	111.7°	107.4°
N1	C12	H11	108.1°	107.5°
C12	N1	PT1	103.6°	101.3°
C12	N1	H2	110.9°	111.1°
C12	N1	H1	110.9°	111.0°
C12	C13	C14	113.0°	116.2°
C13	C12	H11	107.4°	106.7°
C12	C13	H13	108.6°	108.1°
C12	C13	H12	108.6°	108.1°
C13	C14	C15	113.7°	113.7°
C14	C13	H13	108.6°	108.1°
C14	C13	H12	108.6°	108.2°
C13	C14	H15	108.4°	108.7°
C13	C14	H14	108.4°	108.6°
C14	C15	N2	112.2°	110.7°
C14	C15	H16	106.5°	103.8°
C15	C14	H15	108.4°	108.7°
C15	C14	H14	108.4°	108.7°
H7	C10	H8	109.5°	107.9°
H9	C11	H10	109.5°	107.7°
H13	C13	H12	109.5°	107.8°
N2	C15	H16	107.1°	104.3°
C15	N2	PT1	86.6°	104.8°
C15	N2	H3	114.9°	110.3°
C15	N2	H4	114.8°	110.3°
H15	C14	H14	109.5°	108.5°
N2	PT1	N1	40.4°	102.3°
N2	PT1	CL2	90.0°	110.8°
N2	PT1	CL1	90.0°	110.8°
PT1	N2	H3	114.8°	110.4°
PT1	N2	H4	114.8°	110.3°
N1	PT1	CL2	90.0°	110.9°
N1	PT1	CL1	90.0°	110.9°
PT1	N1	H2	110.9°	111.1°
PT1	N1	H1	110.9°	111.1°
CL2	PT1	CL1	90.0°	110.8°
H3	N2	H4	109.5°	110.5°
H2	N1	H1	109.5°	110.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C11	C12	H9	120.4°	121.9°
C10	C11	C12	H10	120.4°	122.0°
C11	C10	C15	H7	120.6°	121.8°
C11	C10	C15	H8	120.6°	121.8°
C10	C11	C12	N1	63.6°	82.1°
C10	C11	C12	C13	61.3°	41.1°
C11	C10	C15	C14	23.9°	42.4°
C11	C10	H7	H8	118.1°	116.5°
C10	C11	H9	H10	118.8°	116.4°
C10	C11	C12	H11	178.7°	159.0°
C11	C10	C15	N2	103.3°	89.2°
C11	C10	C15	H16	139.9°	153.1°
C12	C11	C10	C15	33.3°	6.2°
C11	C12	N1	C13	125.0°	126.4°
C11	C12	N1	H11	117.2°	119.0°
C11	C12	C13	H11	117.4°	118.5°
C11	C12	C13	C14	27.9°	25.0°
C12	C11	C10	H7	153.9°	127.9°
C12	C11	C10	H8	87.4°	115.7°
C12	C11	H9	H10	118.8°	116.3°
C11	C12	C13	H13	148.5°	146.7°
C11	C12	C13	H12	92.6°	96.8°
C11	C12	N1	PT1	3.7°	101.3°
C11	C12	N1	H2	115.4°	16.7°
C11	C12	N1	H1	122.7°	140.7°
C10	C15	C14	C13	57.6°	57.8°
C10	C15	C14	N2	127.3°	137.3°
C10	C15	C14	H16	115.9°	111.3°
C15	C10	H7	H8	118.2°	116.5°
C15	C10	C11	H9	153.7°	128.1°
C15	C10	C11	H10	87.1°	115.8°
C10	C15	N2	H16	116.4°	117.9°
C10	C15	C14	H15	178.2°	178.9°
C10	C15	C14	H14	63.1°	63.3°
C10	C15	N2	PT1	16.2°	90.8°
C10	C15	N2	H3	99.6°	150.4°
C10	C15	N2	H4	132.1°	28.0°
N1	C12	C13	H11	118.3°	115.1°
N1	C12	C13	C14	96.3°	101.4°
N1	C12	C11	H9	56.8°	39.8°
N1	C12	C11	H10	176.0°	156.0°
N1	C12	C13	H13	24.2°	20.3°
N1	C12	C13	H12	143.2°	136.8°
C12	N1	PT1	N2	81.5°	61.3°
C12	N1	PT1	H2	119.0°	118.1°
C12	N1	PT1	H1	119.1°	118.0°
C12	N1	PT1	CL2	90.0°	179.6°
C12	N1	PT1	CL1	90.0°	56.9°
C12	N1	H2	H1	122.7°	124.0°
C12	C13	C14	H13	120.5°	121.7°
C12	C13	C14	H12	120.5°	121.8°
C12	C13	C14	C15	29.8°	23.6°
C13	C12	C11	H9	178.3°	163.0°
C13	C12	C11	H10	59.1°	80.9°
C12	C13	H13	H12	118.4°	116.7°
C12	C13	C14	H15	150.4°	144.7°
C12	C13	C14	H14	90.9°	97.5°
C13	C12	N1	PT1	121.3°	25.1°
C13	C12	N1	H2	119.6°	143.2°
C13	C12	N1	H1	2.3°	92.9°
C13	C14	C15	H15	120.6°	121.1°
C13	C14	C15	H14	120.6°	121.1°
C14	C13	C12	H11	145.4°	143.5°
C14	C13	H13	H12	118.4°	116.7°
C13	C14	C15	N2	69.7°	79.5°
C13	C14	C15	H16	173.5°	169.1°
C13	C14	H15	H14	118.1°	117.9°
C14	C15	C10	H7	96.6°	79.4°
C14	C15	C10	H8	144.6°	164.2°
C15	C14	C13	H13	90.7°	98.1°
C15	C14	C13	H12	150.3°	145.4°
C14	C15	N2	H16	116.4°	111.0°
C15	C14	H15	H14	118.1°	117.9°
C14	C15	N2	PT1	143.4°	40.3°
C14	C15	N2	H3	27.5°	78.6°
C14	C15	N2	H4	100.7°	159.1°
H7	C10	C11	H9	85.7°	110.2°
H7	C10	C11	H10	33.5°	6.0°
H7	C10	C15	N2	136.1°	149.0°
H7	C10	C15	H16	19.3°	31.3°
H8	C10	C11	H9	33.0°	6.2°
H8	C10	C11	H10	152.3°	122.4°
H8	C10	C15	N2	17.3°	32.6°
H8	C10	C15	H16	99.5°	85.1°
H9	C11	C12	H11	60.9°	79.1°
H10	C11	C12	H11	58.3°	37.1°
H11	C12	C13	H13	94.1°	94.8°
H11	C12	C13	H12	24.8°	21.7°
H11	C12	N1	PT1	120.8°	139.7°
H11	C12	N1	H2	1.8°	102.3°
H11	C12	N1	H1	120.1°	21.7°
H13	C13	C14	H15	29.9°	23.0°
H13	C13	C14	H14	148.6°	140.8°
H12	C13	C14	H15	89.1°	93.5°
H12	C13	C14	H14	29.7°	24.3°
N2	C15	C14	H15	50.9°	41.6°
N2	C15	C14	H14	169.7°	159.4°
C15	N2	PT1	H3	115.9°	118.8°
C15	N2	PT1	H4	115.9°	118.8°
C15	N2	PT1	N1	83.4°	52.4°
C15	N2	PT1	CL2	90.0°	170.6°
C15	N2	PT1	CL1	90.0°	65.9°
C15	N2	H3	H4	130.9°	122.3°
H16	C15	C14	H15	65.9°	69.8°
H16	C15	C14	H14	52.9°	48.0°
H16	C15	N2	PT1	100.1°	151.3°
H16	C15	N2	H3	144.0°	32.5°
H16	C15	N2	H4	15.7°	89.9°
N2	PT1	N1	CL2	90.0°	118.2°
N2	PT1	N1	CL1	90.0°	118.2°
N2	PT1	CL2	CL1	90.0°	123.5°
PT1	N2	H3	H4	130.9°	122.3°
N2	PT1	N1	H2	159.4°	56.7°
N2	PT1	N1	H1	37.5°	179.3°
N1	PT1	CL2	CL1	90.0°	123.6°
N1	PT1	N2	H3	32.5°	171.2°
N1	PT1	N2	H4	160.7°	66.4°
PT1	N1	H2	H1	122.7°	124.0°
CL2	PT1	N2	H3	90.0°	70.5°
CL2	PT1	N2	H4	90.0°	51.9°
CL2	PT1	N1	H2	90.0°	61.5°
CL2	PT1	N1	H1	90.0°	62.5°
CL1	PT1	N2	H3	90.0°	52.9°
CL1	PT1	N2	H4	90.0°	175.3°
CL1	PT1	N1	H2	90.0°	175.0°
CL1	PT1	N1	H1	90.0°	61.1°

Release date:	2020-04-01
Definition date:	2019-08-28
Last modified:	2020-03-27
Release status:	REL
Processing site:	PDBE
Derived from:	6R14