YX7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O14	B13	sing	1.42Å	1.45Å
B13	O22	sing	1.42Å	1.46Å
B13	C08	sing	1.57Å	1.58Å
C09	C08	sing	1.53Å	1.52Å
C09	C10	sing	1.51Å	1.53Å
C08	N07	sing	1.47Å	1.45Å
C10	O12	doub	1.21Å	1.19Å
C10	N11	sing	1.35Å	1.45Å
N07	C06	sing	1.35Å	1.45Å
O23	C06	doub	1.21Å	1.18Å
C06	C05	sing	1.51Å	1.52Å
C05	C04	sing	1.53Å	1.52Å
C04	C03	sing	1.53Å	1.53Å
C03	C02	sing	1.53Å	1.53Å
C02	C01	sing	1.53Å	1.52Å
C01	H1	sing	1.09Å	1.10Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C02	H4	sing	1.09Å	1.10Å
C02	H5	sing	1.09Å	1.10Å
C03	H6	sing	1.09Å	1.10Å
C03	H7	sing	1.09Å	1.10Å
C04	H8	sing	1.09Å	1.10Å
C04	H9	sing	1.09Å	1.10Å
C05	H10	sing	1.09Å	1.10Å
C05	H11	sing	1.09Å	1.10Å
N07	H12	sing	0.97Å	1.00Å
C08	H13	sing	1.09Å	1.10Å
C09	H14	sing	1.09Å	1.10Å
C09	H15	sing	1.09Å	1.10Å
N11	H16	sing	0.97Å	1.00Å
N11	H17	sing	0.97Å	1.00Å
O14	H18	sing	0.97Å	0.95Å
O22	H19	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O14	B13	O22	110.2°	120.0°
O14	B13	C08	107.3°	120.0°
B13	O14	H18	109.5°	114.0°
O22	B13	C08	110.8°	120.0°
B13	O22	H19	109.5°	114.0°
B13	C08	C09	110.0°	109.5°
B13	C08	N07	109.2°	109.5°
B13	C08	H13	108.8°	109.4°
C08	C09	C10	115.3°	109.5°
C09	C08	N07	108.5°	109.5°
C09	C08	H13	109.6°	109.5°
C08	C09	H14	108.0°	109.5°
C08	C09	H15	108.0°	109.4°
C09	C10	O12	120.1°	120.0°
C09	C10	N11	120.5°	120.0°
C10	C09	H14	108.0°	109.5°
C10	C09	H15	108.0°	109.5°
C08	N07	C06	120.8°	120.0°
C08	N07	H12	119.6°	120.0°
N07	C08	H13	110.6°	109.5°
O12	C10	N11	119.5°	120.0°
C10	N11	H16	120.0°	120.0°
C10	N11	H17	120.0°	120.0°
N07	C06	O23	119.1°	120.0°
N07	C06	C05	120.7°	120.0°
C06	N07	H12	119.6°	120.0°
O23	C06	C05	120.2°	120.0°
C06	C05	C04	111.2°	109.5°
C06	C05	H10	109.1°	109.4°
C06	C05	H11	109.1°	109.5°
C05	C04	C03	111.9°	109.5°
C05	C04	H8	108.9°	109.5°
C05	C04	H9	108.8°	109.5°
C04	C05	H10	109.0°	109.4°
C04	C05	H11	109.0°	109.5°
C04	C03	C02	111.5°	109.5°
C04	C03	H6	109.0°	109.5°
C04	C03	H7	109.0°	109.4°
C03	C04	H8	108.9°	109.5°
C03	C04	H9	108.9°	109.4°
C03	C02	C01	112.9°	109.5°
C03	C02	H4	108.6°	109.5°
C03	C02	H5	108.6°	109.4°
C02	C03	H6	109.0°	109.5°
C02	C03	H7	109.0°	109.4°
C02	C01	H1	109.5°	109.5°
C02	C01	H2	109.5°	109.5°
C02	C01	H3	109.5°	109.5°
C01	C02	H4	108.6°	109.5°
C01	C02	H5	108.6°	109.4°
H1	C01	H2	109.5°	109.5°
H1	C01	H3	109.5°	109.4°
H2	C01	H3	109.5°	109.5°
H4	C02	H5	109.5°	109.5°
H6	C03	H7	109.5°	109.5°
H8	C04	H9	109.5°	109.5°
H10	C05	H11	109.5°	109.5°
H14	C09	H15	109.4°	109.5°
H16	N11	H17	120.0°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O14	B13	O22	C08	118.7°	180.0°
O14	B13	C08	C09	163.9°	61.3°
O14	B13	C08	N07	77.1°	58.8°
O14	B13	C08	H13	43.8°	178.7°
O14	B13	O22	H19	180.0°	175.0°
O22	B13	C08	C09	75.7°	118.7°
O22	B13	C08	N07	43.3°	121.2°
O22	B13	C08	H13	164.2°	1.2°
O22	B13	O14	H18	180.0°	175.8°
B13	C08	C09	N07	119.4°	120.0°
B13	C08	C09	H13	119.7°	119.9°
B13	C08	C09	C10	175.7°	64.9°
B13	C08	N07	H13	119.8°	119.9°
B13	C08	N07	C06	94.9°	35.2°
B13	C08	N07	H12	85.1°	144.8°
B13	C08	C09	H14	63.4°	55.1°
B13	C08	C09	H15	54.9°	175.1°
C08	B13	O14	H18	59.3°	4.2°
C08	B13	O22	H19	61.3°	5.0°
C08	C09	C10	H14	120.9°	120.0°
C08	C09	C10	H15	120.8°	120.0°
C09	C08	N07	H13	120.3°	120.1°
C08	C09	C10	O12	68.5°	0.6°
C08	C09	C10	N11	111.0°	179.3°
C09	C08	N07	C06	145.2°	155.2°
C09	C08	N07	H12	34.8°	24.8°
C08	C09	H14	H15	117.3°	120.0°
C10	C09	C08	N07	56.3°	175.1°
C09	C10	O12	N11	179.5°	179.9°
C10	C09	C08	H13	64.6°	55.1°
C10	C09	H14	H15	117.4°	120.0°
C09	C10	N11	H16	179.5°	0.1°
C09	C10	N11	H17	0.5°	180.0°
C08	N07	C06	H12	180.0°	180.0°
C08	N07	C06	O23	1.1°	5.1°
C08	N07	C06	C05	179.1°	174.9°
N07	C08	C09	H14	177.2°	64.9°
N07	C08	C09	H15	64.6°	55.1°
O12	C10	C09	H14	52.4°	119.4°
O12	C10	C09	H15	170.7°	120.6°
O12	C10	N11	H16	0.0°	180.0°
O12	C10	N11	H17	180.0°	0.1°
N11	C10	C09	H14	128.1°	60.8°
N11	C10	C09	H15	9.8°	59.3°
C10	N11	H16	H17	180.0°	179.9°
N07	C06	O23	C05	179.8°	180.0°
N07	C06	C05	C04	126.9°	180.0°
N07	C06	C05	H10	6.6°	60.0°
N07	C06	C05	H11	112.8°	60.0°
C06	N07	C08	H13	24.9°	84.7°
O23	C06	C05	C04	52.9°	0.0°
O23	C06	C05	H10	173.1°	120.0°
O23	C06	C05	H11	67.4°	120.0°
O23	C06	N07	H12	178.9°	174.9°
C06	C05	C04	H10	120.3°	120.0°
C06	C05	C04	H11	120.3°	120.0°
C06	C05	C04	C03	168.4°	180.0°
C06	C05	C04	H8	48.0°	60.0°
C06	C05	C04	H9	71.2°	60.0°
C06	C05	H10	H11	119.2°	120.0°
C05	C06	N07	H12	0.9°	5.1°
C05	C04	C03	H8	120.4°	120.0°
C05	C04	C03	H9	120.3°	120.0°
C05	C04	C03	C02	150.2°	180.0°
C05	C04	C03	H6	29.9°	60.0°
C05	C04	C03	H7	89.5°	60.0°
C05	C04	H8	H9	118.8°	120.0°
C04	C05	H10	H11	119.2°	120.0°
C04	C03	C02	H6	120.3°	120.0°
C04	C03	C02	H7	120.3°	119.9°
C04	C03	C02	C01	173.8°	180.0°
C04	C03	C02	H4	53.3°	60.0°
C04	C03	C02	H5	65.7°	60.1°
C04	C03	H6	H7	119.1°	119.9°
C03	C04	H8	H9	118.9°	120.0°
C03	C04	C05	H10	71.3°	60.0°
C03	C04	C05	H11	48.2°	60.0°
C03	C02	C01	H4	120.5°	120.1°
C03	C02	C01	H5	120.5°	119.9°
C03	C02	C01	H1	180.0°	59.9°
C03	C02	C01	H2	60.0°	180.0°
C03	C02	C01	H3	60.0°	60.0°
C03	C02	H4	H5	118.5°	120.0°
C02	C03	H6	H7	119.1°	120.0°
C02	C03	C04	H8	89.4°	59.9°
C02	C03	C04	H9	29.9°	60.0°
C02	C01	H1	H2	120.0°	120.1°
C02	C01	H1	H3	120.0°	119.9°
C02	C01	H2	H3	120.0°	120.0°
C01	C02	H4	H5	118.4°	119.9°
C01	C02	C03	H6	65.9°	60.0°
C01	C02	C03	H7	53.5°	60.1°
H1	C01	H2	H3	120.0°	120.0°
H1	C01	C02	H4	59.5°	180.0°
H1	C01	C02	H5	59.5°	60.0°
H2	C01	C02	H4	179.5°	59.9°
H2	C01	C02	H5	60.5°	60.0°
H3	C01	C02	H4	60.5°	60.1°
H3	C01	C02	H5	179.5°	179.9°
H4	C02	C03	H6	173.6°	180.0°
H4	C02	C03	H7	67.0°	60.0°
H5	C02	C03	H6	54.6°	60.0°
H5	C02	C03	H7	174.0°	180.0°
H6	C03	C04	H8	150.3°	180.0°
H6	C03	C04	H9	90.4°	60.1°
H7	C03	C04	H8	30.9°	60.0°
H7	C03	C04	H9	150.2°	180.0°
H8	C04	C05	H10	168.3°	180.0°
H8	C04	C05	H11	72.2°	60.0°
H9	C04	C05	H10	49.1°	60.0°
H9	C04	C05	H11	168.5°	180.0°
H12	N07	C08	H13	155.1°	95.3°
H13	C08	C09	H14	56.3°	175.1°
H13	C08	C09	H15	174.5°	64.9°

Release date:	2022-09-28
Definition date:	2021-04-05
Last modified:	2024-09-27
Release status:	REL
Processing site:	RCSB
Derived from:	7MDC