V40

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C9	sing	1.55Å	1.48Å
C10	C11	sing	1.54Å	1.51Å
C9	C8	sing	1.55Å	1.53Å
C11	N1	sing	1.48Å	1.52Å
C11	O	sing	1.43Å	1.36Å
C8	N1	sing	1.49Å	1.43Å
N1	C7	sing	1.47Å	1.45Å
C7	C6	sing	1.53Å	1.52Å
N	C	sing	1.47Å	1.53Å
C6	C1	sing	1.53Å	1.54Å
C6	C5	sing	1.53Å	1.51Å
C1	C	sing	1.53Å	1.52Å
C1	C2	sing	1.53Å	1.51Å
C5	C4	sing	1.53Å	1.53Å
C2	C3	sing	1.53Å	1.52Å
C4	C3	sing	1.53Å	1.53Å
C7	H2	sing	1.09Å	1.10Å
C7	H3	sing	1.09Å	1.10Å
C8	H4	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C9	H6	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C6	H11	sing	1.09Å	1.10Å
C4	H12	sing	1.09Å	1.10Å
C4	H13	sing	1.09Å	1.10Å
C3	H14	sing	1.09Å	1.10Å
C3	H15	sing	1.09Å	1.10Å
C2	H16	sing	1.09Å	1.10Å
C2	H17	sing	1.09Å	1.10Å
O	H18	sing	0.97Å	0.95Å
C11	H19	sing	1.09Å	1.10Å
C10	H20	sing	1.09Å	1.10Å
C10	H21	sing	1.09Å	1.10Å
C	H22	sing	1.09Å	1.10Å
C	H23	sing	1.09Å	1.10Å
N	H24	sing	1.01Å	1.00Å
N	H25	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C10	C11	103.5°	105.1°
C10	C9	C8	102.9°	102.9°
C10	C9	H6	111.1°	110.8°
C10	C9	H7	111.1°	110.9°
C9	C10	H20	110.9°	110.3°
C9	C10	H21	111.0°	110.3°
C10	C11	N1	106.0°	107.1°
C10	C11	O	110.3°	109.9°
C10	C11	H19	109.0°	110.1°
C11	C10	H20	110.9°	110.3°
C11	C10	H21	110.9°	110.3°
C9	C8	N1	103.7°	103.2°
C9	C8	H4	110.9°	110.7°
C9	C8	H5	110.9°	110.8°
C8	C9	H6	111.1°	110.7°
C8	C9	H7	111.1°	110.7°
N1	C11	O	111.3°	109.9°
C11	N1	C8	107.1°	105.8°
C11	N1	C7	115.3°	111.0°
N1	C11	H19	108.9°	109.9°
C11	O	H18	109.5°	114.1°
O	C11	H19	111.2°	109.9°
C8	N1	C7	111.8°	111.0°
N1	C8	H4	110.9°	110.7°
N1	C8	H5	110.9°	110.7°
N1	C7	C6	112.8°	109.5°
N1	C7	H2	108.6°	109.5°
N1	C7	H3	108.6°	109.5°
C7	C6	C1	113.7°	109.5°
C7	C6	C5	107.1°	109.5°
C6	C7	H2	108.6°	109.5°
C6	C7	H3	108.6°	109.4°
C7	C6	H11	108.9°	109.4°
N	C	C1	114.6°	109.5°
N	C	H22	108.2°	109.4°
N	C	H23	108.2°	109.5°
C	N	H24	109.5°	111.0°
C	N	H25	109.4°	111.0°
C1	C6	C5	109.7°	109.5°
C6	C1	C	114.4°	109.5°
C6	C1	C2	108.4°	109.4°
C6	C1	H8	108.2°	109.5°
C1	C6	H11	108.6°	109.5°
C6	C5	C4	116.3°	109.5°
C6	C5	H9	107.7°	109.5°
C6	C5	H10	107.7°	109.5°
C5	C6	H11	108.9°	109.5°
C	C1	C2	108.7°	109.5°
C	C1	H8	108.4°	109.5°
C1	C	H22	108.2°	109.4°
C1	C	H23	108.1°	109.5°
C1	C2	C3	110.2°	109.5°
C2	C1	H8	108.6°	109.5°
C1	C2	H16	109.3°	109.5°
C1	C2	H17	109.3°	109.5°
C5	C4	C3	116.5°	109.5°
C4	C5	H9	107.7°	109.5°
C4	C5	H10	107.7°	109.5°
C5	C4	H12	107.7°	109.5°
C5	C4	H13	107.7°	109.5°
C2	C3	C4	114.3°	109.4°
C2	C3	H14	108.3°	109.4°
C2	C3	H15	108.2°	109.5°
C3	C2	H16	109.3°	109.5°
C3	C2	H17	109.3°	109.4°
C3	C4	H12	107.7°	109.4°
C3	C4	H13	107.7°	109.5°
C4	C3	H14	108.2°	109.5°
C4	C3	H15	108.2°	109.5°
H2	C7	H3	109.5°	109.5°
H4	C8	H5	109.4°	110.6°
H6	C9	H7	109.5°	110.7°
H9	C5	H10	109.5°	109.5°
H12	C4	H13	109.4°	109.4°
H14	C3	H15	109.5°	109.5°
H16	C2	H17	109.5°	109.4°
H20	C10	H21	109.5°	110.4°
H22	C	H23	109.5°	109.5°
H24	N	H25	109.5°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C10	C11	H20	119.0°	118.9°
C9	C10	C11	H21	119.0°	118.9°
C10	C9	C8	H6	118.9°	118.4°
C10	C9	C8	H7	119.0°	118.5°
C9	C10	C11	N1	20.6°	1.2°
C9	C10	C11	O	100.0°	118.1°
C10	C9	C8	N1	41.1°	37.4°
C10	C9	C8	H4	78.0°	81.0°
C10	C9	C8	H5	160.2°	155.9°
C10	C9	H6	H7	123.0°	123.4°
C9	C10	C11	H19	137.6°	120.7°
C9	C10	H20	H21	122.8°	122.1°
C11	C10	C9	C8	37.2°	21.9°
C10	C11	N1	O	119.9°	119.4°
C10	C11	N1	H19	117.1°	119.5°
C10	C11	O	H19	121.1°	121.3°
C10	C11	N1	C8	5.1°	25.3°
C10	C11	N1	C7	120.0°	145.8°
C11	C10	C9	H6	156.1°	140.3°
C11	C10	C9	H7	81.8°	96.4°
C10	C11	O	H18	180.0°	62.3°
C11	C10	H20	H21	122.8°	122.2°
C9	C8	N1	C11	27.9°	39.2°
C9	C8	N1	H4	119.1°	118.4°
C9	C8	N1	H5	119.1°	118.6°
C9	C8	N1	C7	99.3°	159.7°
C9	C8	H4	H5	122.7°	123.2°
C8	C9	H6	H7	123.1°	123.1°
C8	C9	C10	H20	156.2°	96.9°
C8	C9	C10	H21	81.8°	140.9°
N1	C11	O	H19	121.6°	121.1°
C11	N1	C8	C7	127.2°	120.5°
C11	N1	C7	C6	102.2°	172.7°
C11	N1	C7	H2	137.3°	67.2°
C11	N1	C7	H3	18.3°	52.8°
C11	N1	C8	H4	91.2°	79.2°
C11	N1	C8	H5	147.0°	157.8°
N1	C11	O	H18	62.7°	180.0°
N1	C11	C10	H20	139.6°	120.1°
N1	C11	C10	H21	98.4°	117.7°
O	C11	N1	C8	125.0°	94.0°
O	C11	N1	C7	0.1°	26.5°
O	C11	C10	H20	19.0°	0.7°
O	C11	C10	H21	141.0°	122.9°
C8	N1	C7	C6	135.2°	69.9°
C8	N1	C7	H2	14.7°	50.2°
C8	N1	C7	H3	104.3°	170.2°
N1	C8	H4	H5	122.7°	123.1°
N1	C8	C9	H6	160.0°	155.8°
N1	C8	C9	H7	77.8°	81.2°
C8	N1	C11	H19	112.0°	144.9°
N1	C7	C6	H2	120.5°	120.0°
N1	C7	C6	H3	120.5°	120.0°
N1	C7	C6	C1	96.7°	175.0°
N1	C7	C6	C5	141.9°	65.0°
N1	C7	H2	H3	118.5°	120.0°
C7	N1	C8	H4	141.6°	41.3°
C7	N1	C8	H5	19.8°	81.7°
N1	C7	C6	H11	24.4°	55.0°
C7	N1	C11	H19	122.8°	94.6°
C7	C6	C1	C5	119.8°	120.0°
C7	C6	C1	H11	121.3°	120.0°
C7	C6	C5	H11	117.5°	120.0°
C7	C6	C1	C	179.7°	60.0°
C7	C6	C1	C2	58.4°	180.0°
C7	C6	C5	C4	112.9°	180.0°
C6	C7	H2	H3	118.5°	119.9°
C7	C6	C1	H8	59.3°	60.0°
C7	C6	C5	H9	8.0°	60.0°
C7	C6	C5	H10	126.1°	60.0°
N	C	C1	C6	99.0°	175.0°
N	C	C1	H22	120.8°	120.0°
N	C	C1	H23	120.7°	120.1°
N	C	C1	C2	139.8°	65.0°
N	C	C1	H8	21.9°	55.0°
N	C	H22	H23	117.7°	120.0°
C	N	H24	H25	120.0°	123.9°
C1	C6	C5	H11	118.7°	120.0°
C6	C1	C	C2	121.2°	120.0°
C6	C1	C	H8	120.9°	120.0°
C6	C1	C2	H8	117.4°	120.0°
C1	C6	C5	C4	10.8°	60.0°
C6	C1	C2	C3	68.3°	60.0°
C1	C6	C7	H2	23.7°	55.0°
C1	C6	C7	H3	142.8°	65.0°
C1	C6	C5	H9	131.8°	60.0°
C1	C6	C5	H10	110.1°	180.0°
C6	C1	C2	H16	171.6°	60.0°
C6	C1	C2	H17	51.8°	180.0°
C6	C1	C	H22	21.8°	65.0°
C6	C1	C	H23	140.3°	55.0°
C5	C6	C1	C	59.9°	180.0°
C5	C6	C1	C2	61.5°	60.0°
C6	C5	C4	H9	121.0°	120.0°
C6	C5	C4	H10	121.0°	120.0°
C6	C5	C4	C3	33.3°	60.0°
C5	C6	C7	H2	97.6°	175.0°
C5	C6	C7	H3	21.5°	55.0°
C5	C6	C1	H8	179.1°	59.9°
C6	C5	H9	H10	116.9°	120.0°
C6	C5	C4	H12	154.4°	180.0°
C6	C5	C4	H13	87.7°	60.0°
C	C1	C2	H8	117.8°	120.0°
C	C1	C2	C3	56.6°	180.0°
C	C1	C6	H11	59.0°	60.0°
C	C1	C2	H16	63.5°	60.0°
C	C1	C2	H17	176.7°	60.0°
C1	C	H22	H23	117.6°	120.0°
C1	C	N	H24	180.0°	180.0°
C1	C	N	H25	60.0°	56.1°
C1	C2	C3	H16	120.1°	120.1°
C1	C2	C3	H17	120.1°	120.0°
C1	C2	C3	C4	22.4°	60.0°
C2	C1	C6	H11	179.6°	60.0°
C1	C2	C3	H14	98.3°	59.9°
C1	C2	C3	H15	143.1°	180.0°
C1	C2	H16	H17	119.7°	120.0°
C2	C1	C	H22	99.5°	55.0°
C2	C1	C	H23	19.0°	175.0°
C5	C4	C3	C2	27.2°	60.0°
C5	C4	C3	H12	121.0°	120.0°
C5	C4	C3	H13	121.0°	120.0°
C4	C5	H9	H10	116.9°	120.0°
C4	C5	C6	H11	129.5°	60.0°
C5	C4	H12	H13	116.8°	120.0°
C5	C4	C3	H14	147.9°	59.9°
C5	C4	C3	H15	93.5°	180.0°
C2	C3	C4	H14	120.7°	119.9°
C2	C3	C4	H15	120.7°	120.0°
C3	C2	C1	H8	174.4°	59.9°
C2	C3	C4	H12	148.2°	180.0°
C2	C3	C4	H13	93.8°	60.1°
C2	C3	H14	H15	117.8°	120.0°
C3	C2	H16	H17	119.6°	119.9°
C3	C4	C5	H9	87.6°	60.0°
C3	C4	C5	H10	154.3°	180.0°
C3	C4	H12	H13	116.8°	120.0°
C4	C3	H14	H15	117.8°	120.1°
C4	C3	C2	H16	142.6°	60.1°
C4	C3	C2	H17	97.7°	180.0°
H2	C7	C6	H11	144.9°	65.0°
H3	C7	C6	H11	96.1°	175.0°
H4	C8	C9	H6	40.9°	37.4°
H4	C8	C9	H7	163.1°	160.5°
H5	C8	C9	H6	80.9°	85.7°
H5	C8	C9	H7	41.2°	37.4°
H6	C9	C10	H20	84.9°	21.4°
H6	C9	C10	H21	37.1°	100.8°
H7	C9	C10	H20	37.2°	144.7°
H7	C9	C10	H21	159.2°	22.5°
H8	C1	C6	H11	62.0°	180.0°
H8	C1	C2	H16	54.3°	180.0°
H8	C1	C2	H17	65.5°	60.0°
H8	C1	C	H22	142.7°	175.0°
H8	C1	C	H23	98.9°	65.0°
H9	C5	C6	H11	109.5°	180.0°
H9	C5	C4	H12	33.4°	60.0°
H9	C5	C4	H13	151.3°	180.0°
H10	C5	C6	H11	8.6°	60.0°
H10	C5	C4	H12	84.6°	60.0°
H10	C5	C4	H13	33.3°	60.0°
H12	C4	C3	H14	91.0°	60.1°
H12	C4	C3	H15	27.5°	60.0°
H13	C4	C3	H14	26.9°	180.0°
H13	C4	C3	H15	145.5°	60.0°
H14	C3	C2	H16	21.9°	180.0°
H14	C3	C2	H17	141.6°	60.1°
H15	C3	C2	H16	96.7°	59.9°
H15	C3	C2	H17	23.0°	60.0°
H18	O	C11	H19	58.9°	58.9°
H19	C11	C10	H20	103.3°	120.4°
H19	C11	C10	H21	18.6°	1.8°
H22	C	N	H24	59.3°	60.0°
H22	C	N	H25	60.8°	176.0°
H23	C	N	H24	59.3°	59.9°
H23	C	N	H25	179.3°	64.0°

Release date:	2022-11-02
Definition date:	2022-08-29
Last modified:	2022-10-28
Release status:	REL
Processing site:	RCSB
Derived from:	5SU8