W2M

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C11	sing	1.55Å	1.51Å
C10	C9	sing	1.55Å	1.51Å
C11	C8	sing	1.54Å	1.54Å
C9	N1	sing	1.48Å	1.47Å
C4	C3	doub	1.38Å	1.38Å	Aromatic
C4	C5	sing	1.38Å	1.38Å	Aromatic
C3	C2	sing	1.38Å	1.39Å	Aromatic
C5	C6	doub	1.38Å	1.39Å	Aromatic
C8	N1	sing	1.47Å	1.47Å
C8	C7	sing	1.53Å	1.54Å
C8	C	sing	1.50Å	1.51Å
C2	C7	sing	1.51Å	1.51Å
C2	C1	doub	1.39Å	1.40Å	Aromatic
C6	C1	sing	1.39Å	1.39Å	Aromatic
C1	N	sing	1.40Å	1.39Å
C	N	sing	1.35Å	1.35Å
C	O	doub	1.21Å	1.22Å
N1	H1	sing	1.01Å	1.00Å
C4	H3	sing	1.08Å	1.08Å
C5	H4	sing	1.08Å	1.08Å
C6	H5	sing	1.08Å	1.08Å
C7	H6	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
C10	H8	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
C11	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C9	H12	sing	1.09Å	1.10Å
C9	H13	sing	1.09Å	1.10Å
C3	H14	sing	1.08Å	1.08Å
N	H15	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	C10	C9	102.2°	101.7°
C10	C11	C8	105.1°	102.9°
C11	C10	H8	111.3°	111.0°
C11	C10	H9	111.3°	111.0°
C10	C11	H10	110.5°	110.7°
C10	C11	H11	110.6°	110.8°
C10	C9	N1	104.0°	104.8°
C9	C10	H8	111.3°	111.1°
C9	C10	H9	111.3°	111.0°
C10	C9	H12	110.8°	110.4°
C10	C9	H13	110.8°	110.3°
C11	C8	N1	105.7°	107.5°
C11	C8	C7	111.9°	109.4°
C11	C8	C	105.0°	109.5°
C8	C11	H10	110.6°	110.7°
C8	C11	H11	110.6°	110.7°
C9	N1	C8	107.1°	108.4°
C9	N1	H1	110.1°	111.0°
N1	C9	H12	110.8°	110.4°
N1	C9	H13	110.8°	110.4°
C3	C4	C5	120.3°	120.1°
C4	C3	C2	120.6°	120.0°
C3	C4	H3	119.9°	120.0°
C4	C3	H14	119.7°	120.0°
C4	C5	C6	120.6°	120.1°
C5	C4	H3	119.8°	119.9°
C4	C5	H4	119.7°	119.9°
C3	C2	C7	122.5°	120.1°
C3	C2	C1	118.7°	120.0°
C2	C3	H14	119.7°	120.0°
C5	C6	C1	119.4°	119.9°
C6	C5	H4	119.7°	119.9°
C5	C6	H5	120.3°	120.1°
N1	C8	C7	111.0°	110.0°
N1	C8	C	113.4°	110.1°
C8	N1	H1	110.1°	111.0°
C7	C8	C	109.6°	110.3°
C8	C7	C2	109.0°	109.3°
C8	C7	H6	109.6°	109.5°
C8	C7	H7	109.6°	109.5°
C8	C	N	117.7°	120.6°
C8	C	O	119.9°	119.7°
C7	C2	C1	118.8°	119.8°
C2	C7	H6	109.6°	109.5°
C2	C7	H7	109.6°	109.5°
C2	C1	C6	120.5°	119.8°
C2	C1	N	119.0°	120.0°
C6	C1	N	120.1°	120.1°
C1	C6	H5	120.3°	120.0°
C1	N	C	123.9°	120.4°
C1	N	H15	118.0°	119.7°
N	C	O	122.4°	119.7°
C	N	H15	118.1°	119.9°
H6	C7	H7	109.5°	109.5°
H8	C10	H9	109.5°	110.9°
H10	C11	H11	109.5°	110.8°
H12	C9	H13	109.5°	110.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	C10	C9	H8	118.8°	118.1°
C11	C10	C9	H9	118.8°	118.0°
C10	C11	C8	H10	119.3°	118.4°
C10	C11	C8	H11	119.3°	118.4°
C11	C10	C9	N1	40.1°	37.0°
C10	C11	C8	N1	12.0°	22.2°
C10	C11	C8	C7	132.9°	141.6°
C10	C11	C8	C	108.2°	97.3°
C11	C10	H8	H9	123.4°	123.8°
C10	C11	H10	H11	122.0°	123.3°
C11	C10	C9	H12	159.2°	81.8°
C11	C10	C9	H13	79.0°	155.8°
C9	C10	C11	C8	31.6°	35.6°
C10	C9	N1	H12	119.1°	118.9°
C10	C9	N1	H13	119.1°	118.8°
C10	C9	N1	C8	33.6°	24.1°
C10	C9	N1	H1	86.1°	98.1°
C9	C10	H8	H9	123.4°	123.9°
C9	C10	C11	H10	87.7°	153.9°
C9	C10	C11	H11	150.9°	82.8°
C10	C9	H12	H13	122.6°	122.3°
C11	C8	N1	C9	13.3°	1.0°
C11	C8	N1	C7	121.6°	119.0°
C11	C8	N1	C	114.5°	119.2°
C11	C8	C7	C	116.1°	120.6°
C11	C8	C7	C2	63.5°	72.1°
C11	C8	C	N	80.9°	85.5°
C11	C8	C	O	98.2°	94.4°
C11	C8	N1	H1	106.3°	121.2°
C11	C8	C7	H6	176.6°	167.9°
C11	C8	C7	H7	56.4°	47.9°
C8	C11	C10	H8	87.2°	82.6°
C8	C11	C10	H9	150.4°	153.6°
C8	C11	H10	H11	122.1°	123.2°
C9	N1	C8	H1	119.6°	122.2°
C9	N1	C8	C7	108.3°	118.0°
C9	N1	C8	C	127.8°	120.2°
N1	C9	C10	H8	78.7°	81.1°
N1	C9	C10	H9	159.0°	155.1°
N1	C9	H12	H13	122.5°	122.3°
C3	C4	C5	H3	180.0°	180.0°
C4	C3	C2	H14	180.0°	180.0°
C3	C4	C5	C6	0.5°	0.1°
C4	C3	C2	C7	178.4°	179.9°
C4	C3	C2	C1	0.8°	0.1°
C3	C4	C5	H4	179.5°	180.0°
C5	C4	C3	C2	0.5°	0.0°
C4	C5	C6	H4	180.0°	179.9°
C4	C5	C6	C1	1.3°	0.1°
C4	C5	C6	H5	178.7°	179.9°
C5	C4	C3	H14	179.4°	180.0°
C3	C2	C7	C8	140.4°	146.3°
C3	C2	C7	C1	179.2°	179.9°
C3	C2	C1	C6	0.1°	0.1°
C3	C2	C1	N	172.0°	179.9°
C2	C3	C4	H3	179.5°	180.0°
C3	C2	C7	H6	99.6°	93.7°
C3	C2	C7	H7	20.5°	26.3°
C5	C6	C1	C2	1.1°	0.0°
C5	C6	C1	H5	180.0°	179.9°
C5	C6	C1	N	170.9°	180.0°
C6	C5	C4	H3	179.5°	179.9°
N1	C8	C7	C	126.0°	121.6°
N1	C8	C7	C2	178.7°	170.1°
N1	C8	C	N	164.2°	156.6°
N1	C8	C	O	16.7°	23.5°
N1	C8	C7	H6	58.8°	50.1°
N1	C8	C7	H7	61.4°	70.0°
N1	C8	C11	H10	107.3°	140.6°
N1	C8	C11	H11	131.3°	96.2°
C8	N1	C9	H12	152.7°	94.8°
C8	N1	C9	H13	85.5°	142.9°
C8	C7	C2	H6	119.9°	120.0°
C8	C7	C2	H7	119.9°	120.0°
C8	C7	C2	C1	38.7°	33.8°
C7	C8	C	N	39.5°	35.0°
C7	C8	C	O	141.4°	145.0°
C7	C8	N1	H1	132.1°	119.8°
C8	C7	H6	H7	120.2°	120.0°
C7	C8	C11	H10	13.6°	100.0°
C7	C8	C11	H11	107.8°	23.2°
C	C8	C7	C2	52.6°	48.5°
C8	C	N	C1	7.3°	0.6°
C8	C	N	O	179.1°	179.9°
C	C8	N1	H1	8.2°	1.9°
C	C8	C7	H6	67.3°	71.5°
C	C8	C7	H7	172.5°	168.4°
C	C8	C11	H10	132.5°	21.0°
C	C8	C11	H11	11.1°	144.3°
C8	C	N	H15	172.7°	179.4°
C7	C2	C1	C6	179.3°	179.9°
C7	C2	C1	N	7.2°	0.0°
C2	C7	H6	H7	120.2°	120.1°
C7	C2	C3	H14	1.6°	0.0°
C2	C1	C6	N	172.0°	180.0°
C2	C1	N	C	10.6°	18.6°
C2	C1	C6	H5	178.9°	179.9°
C1	C2	C7	H6	81.2°	86.2°
C1	C2	C7	H7	158.6°	153.7°
C1	C2	C3	H14	179.2°	179.9°
C2	C1	N	H15	169.5°	161.5°
C6	C1	N	C	161.6°	161.4°
C1	C6	C5	H4	178.7°	180.0°
C6	C1	N	H15	18.4°	18.6°
C1	N	C	H15	180.0°	179.9°
C1	N	C	O	173.6°	179.5°
N	C1	C6	H5	9.1°	0.0°
O	C	N	H15	6.4°	0.6°
H1	N1	C9	H12	33.0°	143.0°
H1	N1	C9	H13	154.8°	20.7°
H3	C4	C5	H4	0.5°	0.0°
H3	C4	C3	H14	0.5°	0.0°
H4	C5	C6	H5	1.3°	0.1°
H8	C10	C11	H10	153.5°	35.7°
H8	C10	C11	H11	32.1°	159.0°
H8	C10	C9	H12	40.4°	160.1°
H8	C10	C9	H13	162.2°	37.7°
H9	C10	C11	H10	31.1°	88.1°
H9	C10	C11	H11	90.2°	35.2°
H9	C10	C9	H12	81.9°	36.2°
H9	C10	C9	H13	39.9°	86.1°

Release date:	2021-01-13
Definition date:	2020-09-24
Last modified:	2021-01-08
Release status:	REL
Processing site:	RCSB
Derived from:	5RRH