LVY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.55Å
C1	C6	sing	1.51Å	1.51Å
C1	N10	sing	1.47Å	1.45Å
C2	C3	sing	1.53Å	1.54Å
C3	C4	sing	1.51Å	1.51Å
C4	N5	sing	1.34Å	1.36Å
C4	O19	doub	1.21Å	1.22Å
N5	C6	sing	1.34Å	1.36Å
C6	O18	doub	1.21Å	1.22Å
C7	C8	sing	1.40Å	1.40Å	Aromatic
C7	C11	sing	1.48Å	1.51Å
C7	C15	doub	1.40Å	1.40Å	Aromatic
C8	C9	sing	1.51Å	1.52Å
C8	C14	doub	1.38Å	1.40Å	Aromatic
C9	N10	sing	1.47Å	1.46Å
N10	C11	sing	1.34Å	1.36Å
C11	O16	doub	1.21Å	1.24Å
C12	C13	doub	1.38Å	1.42Å	Aromatic
C12	C15	sing	1.38Å	1.41Å	Aromatic
C13	C14	sing	1.39Å	1.41Å	Aromatic
C14	N17	sing	1.40Å	1.36Å
C1	H1	sing	1.09Å	1.10Å
C2	H21C	sing	1.09Å	1.10Å
C2	H22C	sing	1.09Å	1.10Å
C3	H31C	sing	1.09Å	1.10Å
C3	H32C	sing	1.09Å	1.10Å
N5	H5	sing	0.97Å	1.00Å
C15	H15	sing	1.08Å	1.08Å
C9	H91	sing	1.09Å	1.10Å
C9	H92	sing	1.09Å	1.10Å
C12	H12	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
N17	H171	sing	0.97Å	1.00Å
N17	H172	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	109.3°	109.2°
C2	C1	N10	113.2°	109.5°
C1	C2	C3	109.1°	108.6°
C2	C1	H1	107.6°	109.6°
C1	C2	H21C	109.6°	109.6°
C1	C2	H22C	109.6°	109.7°
C6	C1	N10	109.6°	109.5°
C1	C6	N5	118.7°	121.3°
C1	C6	O18	118.5°	119.4°
C6	C1	H1	108.1°	109.5°
C1	N10	C9	122.6°	125.7°
C1	N10	C11	123.8°	125.6°
N10	C1	H1	108.8°	109.6°
C2	C3	C4	109.3°	109.2°
C3	C2	H21C	109.6°	109.6°
C3	C2	H22C	109.6°	109.6°
C2	C3	H31C	109.5°	109.6°
C2	C3	H32C	109.5°	109.5°
C3	C4	N5	119.4°	121.3°
C3	C4	O19	118.8°	119.4°
C4	C3	H31C	109.5°	109.5°
C4	C3	H32C	109.5°	109.5°
N5	C4	O19	121.8°	119.4°
C4	N5	C6	125.4°	122.6°
C4	N5	H5	117.3°	118.7°
N5	C6	O18	122.7°	119.4°
C6	N5	H5	117.3°	118.7°
C8	C7	C11	106.1°	108.2°
C8	C7	C15	122.0°	119.5°
C7	C8	C9	111.0°	106.5°
C7	C8	C14	122.1°	120.2°
C11	C7	C15	131.9°	132.3°
C7	C11	N10	107.8°	110.3°
C7	C11	O16	122.5°	124.8°
C7	C15	C12	116.9°	119.9°
C7	C15	H15	121.6°	120.0°
C9	C8	C14	126.9°	133.3°
C8	C9	N10	101.6°	106.3°
C8	C9	H91	111.4°	110.1°
C8	C9	H92	111.4°	110.1°
C8	C14	C13	116.5°	119.8°
C8	C14	N17	120.1°	120.1°
C9	N10	C11	113.5°	108.7°
N10	C9	H91	111.4°	110.1°
N10	C9	H92	111.4°	110.1°
N10	C11	O16	129.7°	124.9°
C13	C12	C15	120.8°	120.5°
C12	C13	C14	121.7°	120.1°
C13	C12	H12	119.6°	119.8°
C12	C13	H13	119.2°	120.0°
C12	C15	H15	121.5°	120.0°
C15	C12	H12	119.6°	119.7°
C13	C14	N17	123.4°	120.1°
C14	C13	H13	119.2°	119.9°
C14	N17	H171	109.5°	120.0°
C14	N17	H172	109.5°	120.0°
H21C	C2	H22C	109.4°	109.7°
H31C	C3	H32C	109.4°	109.5°
H91	C9	H92	109.5°	110.1°
H171	N17	H172	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	N10	124.6°	119.8°
C2	C1	C6	H1	116.9°	120.0°
C2	C1	N10	H1	119.6°	120.2°
C1	C2	C3	H21C	120.0°	119.7°
C1	C2	C3	H22C	120.0°	119.8°
C1	C2	C3	C4	56.3°	55.6°
C2	C1	C6	N5	30.4°	29.1°
C2	C1	C6	O18	152.8°	151.0°
C2	C1	N10	C9	63.0°	78.5°
C2	C1	N10	C11	119.0°	101.5°
C1	C2	H21C	H22C	120.2°	120.5°
C1	C2	C3	H31C	63.7°	175.5°
C1	C2	C3	H32C	176.3°	64.3°
C6	C1	N10	H1	118.0°	120.2°
C6	C1	C2	C3	57.1°	55.6°
C1	C6	N5	C4	2.1°	0.5°
C1	C6	N5	O18	176.7°	180.0°
C6	C1	N10	C9	59.3°	41.1°
C6	C1	N10	C11	118.7°	138.9°
C6	C1	C2	H21C	177.0°	64.1°
C6	C1	C2	H22C	62.9°	175.4°
C1	C6	N5	H5	177.9°	179.4°
N10	C1	C2	C3	179.6°	64.3°
N10	C1	C6	N5	155.0°	90.8°
N10	C1	C6	O18	28.2°	89.2°
C1	N10	C11	C7	178.6°	180.0°
C1	N10	C9	C8	178.6°	180.0°
C1	N10	C9	C11	178.2°	180.0°
C1	N10	C11	O16	1.0°	0.0°
N10	C1	C2	H21C	60.5°	176.0°
N10	C1	C2	H22C	59.6°	55.5°
C1	N10	C9	H91	62.7°	60.8°
C1	N10	C9	H92	59.9°	60.8°
C2	C3	C4	H31C	120.0°	120.0°
C2	C3	C4	H32C	120.0°	119.9°
C2	C3	C4	N5	29.3°	29.0°
C2	C3	C4	O19	152.9°	150.9°
C3	C2	C1	H1	60.1°	175.5°
C3	C2	H21C	H22C	120.2°	120.4°
C2	C3	H31C	H32C	120.1°	120.1°
C3	C4	N5	O19	177.7°	179.9°
C3	C4	N5	C6	1.4°	0.5°
C4	C3	C2	H21C	176.3°	64.1°
C4	C3	C2	H22C	63.6°	175.4°
C4	C3	H31C	H32C	120.1°	120.1°
C3	C4	N5	H5	178.6°	179.5°
C4	N5	C6	H5	180.0°	180.0°
C4	N5	C6	O18	178.8°	179.5°
N5	C4	C3	H31C	90.7°	149.0°
N5	C4	C3	H32C	149.3°	90.8°
O19	C4	N5	C6	179.1°	179.4°
O19	C4	C3	H31C	87.1°	30.9°
O19	C4	C3	H32C	32.9°	89.2°
O19	C4	N5	H5	0.9°	0.6°
N5	C6	C1	H1	86.6°	149.0°
O18	C6	C1	H1	90.3°	31.0°
O18	C6	N5	H5	1.3°	0.5°
C8	C7	C11	C15	179.8°	179.7°
C7	C8	C9	C14	178.6°	179.9°
C7	C8	C9	N10	0.3°	0.1°
C8	C7	C11	N10	0.2°	0.1°
C8	C7	C11	O16	179.5°	180.0°
C8	C7	C15	C12	1.9°	0.0°
C7	C8	C14	C13	0.4°	0.1°
C7	C8	C14	N17	179.4°	180.0°
C8	C7	C15	H15	178.1°	179.9°
C7	C8	C9	H91	119.0°	119.2°
C7	C8	C9	H92	118.4°	119.2°
C11	C7	C8	C9	0.1°	0.1°
C11	C7	C8	C14	178.5°	180.0°
C7	C11	N10	C9	0.4°	0.0°
C7	C11	N10	O16	179.6°	180.0°
C11	C7	C15	C12	178.3°	179.6°
C11	C7	C15	H15	1.7°	0.3°
C15	C7	C8	C9	179.8°	179.8°
C15	C7	C8	C14	1.6°	0.3°
C15	C7	C11	N10	180.0°	179.7°
C15	C7	C11	O16	0.4°	0.3°
C7	C15	C12	C13	1.1°	0.5°
C7	C15	C12	H15	180.0°	179.9°
C7	C15	C12	H12	178.9°	179.8°
C8	C9	N10	H91	118.7°	119.3°
C8	C9	N10	H92	118.7°	119.2°
C8	C9	N10	C11	0.5°	0.0°
C9	C8	C14	C13	178.8°	180.0°
C9	C8	C14	N17	1.0°	0.1°
C8	C9	H91	H92	123.7°	121.6°
C14	C8	C9	N10	178.3°	180.0°
C8	C14	C13	C12	0.4°	0.4°
C8	C14	C13	N17	179.8°	179.9°
C14	C8	C9	H91	59.6°	60.7°
C14	C8	C9	H92	63.0°	60.8°
C8	C14	C13	H13	179.7°	179.8°
C8	C14	N17	H171	180.0°	0.0°
C8	C14	N17	H172	60.0°	179.9°
C9	N10	C11	O16	179.2°	180.0°
C9	N10	C1	H1	177.4°	161.3°
N10	C9	H91	H92	123.7°	121.6°
C11	N10	C1	H1	0.6°	18.7°
C11	N10	C9	H91	119.2°	119.2°
C11	N10	C9	H92	118.2°	119.2°
C13	C12	C15	H12	180.0°	179.3°
C12	C13	C14	H13	180.0°	179.4°
C12	C13	C14	N17	179.8°	179.5°
C13	C12	C15	H15	178.9°	179.6°
C15	C12	C13	C14	0.0°	0.7°
C15	C12	C13	H13	179.9°	179.9°
C14	C13	C12	H12	180.0°	180.0°
C13	C14	N17	H171	0.2°	179.9°
C13	C14	N17	H172	120.2°	0.0°
N17	C14	C13	H13	0.1°	0.1°
C14	N17	H171	H172	120.0°	179.9°
H1	C1	C2	H21C	59.8°	55.8°
H1	C1	C2	H22C	179.9°	64.7°
H21C	C2	C3	H31C	56.3°	55.8°
H21C	C2	C3	H32C	63.7°	175.9°
H22C	C2	C3	H31C	176.4°	64.7°
H22C	C2	C3	H32C	56.4°	55.4°
H15	C15	C12	H12	1.1°	0.3°
H12	C12	C13	H13	0.0°	0.6°

Release date:	2014-07-16
Definition date:	2013-12-05
Last modified:	2014-09-05
Release status:	REL
Processing site:	EBI
Derived from:	4CI2