V8H

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C5N	C6N	doub	0.00Å	1.39Å
C5N	C4N	sing	0.00Å	1.46Å
C6N	N1N	sing	0.00Å	1.34Å
C4N	C3N	sing	0.00Å	1.51Å
N1N	C1D	sing	0.00Å	1.47Å
N1N	C2N	sing	0.00Å	1.34Å
C1D	O4D	sing	0.00Å	1.43Å
C1D	C2D	sing	0.00Å	1.53Å
C3N	C2N	doub	0.00Å	1.39Å
C3N	C7N	sing	0.00Å	1.50Å
O4D	C4D	sing	0.00Å	1.43Å
C7N	N7N	sing	0.00Å	1.33Å
C7N	O7N	doub	0.00Å	1.22Å
C4D	C5D	sing	0.00Å	1.53Å
C4D	C3D	sing	0.00Å	1.52Å
O2D	C2D	sing	0.00Å	1.43Å
C2D	C3D	sing	0.00Å	1.52Å
C5D	O5D	sing	0.00Å	1.43Å
C3D	O3D	sing	0.00Å	1.43Å
O5D	PN	sing	0.00Å	1.61Å
O2N	PN	doub	0.00Å	1.51Å
PN	O1N	sing	0.00Å	1.51Å
PN	O3	sing	0.00Å	1.61Å
O3	PA	sing	0.00Å	1.61Å
O4B	C4B	sing	0.00Å	1.43Å
O4B	C1B	sing	0.00Å	1.43Å
O5B	C5B	sing	0.00Å	1.43Å
O5B	PA	sing	0.00Å	1.61Å
C4B	C5B	sing	0.00Å	1.53Å
C4B	C3B	sing	0.00Å	1.52Å
PA	O2A	doub	0.00Å	1.51Å
PA	O1A	sing	0.00Å	1.51Å
O3B	C3B	sing	0.00Å	1.43Å
C1B	O1	sing	0.00Å	1.43Å
C1B	C2B	sing	0.00Å	1.52Å
C3B	C2B	sing	0.00Å	1.52Å
C2B	O2B	sing	0.00Å	1.43Å
N7N	H1	sing	0.00Å	1.00Å
N7N	H2	sing	0.00Å	1.00Å
C2N	H3	sing	0.00Å	1.08Å
C4N	H4	sing	0.00Å	1.10Å
C5N	H5	sing	0.00Å	1.08Å
C6N	H6	sing	0.00Å	1.08Å
C1D	H7	sing	0.00Å	1.10Å
C2D	H8	sing	0.00Å	1.10Å
O2D	H9	sing	0.00Å	0.95Å
C3D	H10	sing	0.00Å	1.10Å
O3D	H11	sing	0.00Å	0.95Å
C4D	H12	sing	0.00Å	1.10Å
C5D	H13	sing	0.00Å	1.10Å
C5D	H14	sing	0.00Å	1.10Å
O1N	H15	sing	0.00Å	0.95Å
O1A	H16	sing	0.00Å	0.95Å
C5B	H17	sing	0.00Å	1.10Å
C5B	H18	sing	0.00Å	1.10Å
C4B	H19	sing	0.00Å	1.10Å
C3B	H20	sing	0.00Å	1.10Å
O3B	H21	sing	0.00Å	0.95Å
C2B	H22	sing	0.00Å	1.10Å
O2B	H23	sing	0.00Å	0.95Å
C1B	H24	sing	0.00Å	1.10Å
O1	H25	sing	0.00Å	0.95Å
C4N	H26	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6N	C5N	C4N	121.8°	90.0°
C5N	C6N	N1N	122.0°	90.0°
C6N	C5N	H5	119.1°	90.0°
C5N	C6N	H6	119.0°	90.0°
C5N	C4N	C3N	112.2°	90.0°
C5N	C4N	H4	108.8°	90.0°
C4N	C5N	H5	119.1°	90.0°
C5N	C4N	H26	108.8°	90.0°
C6N	N1N	C1D	119.1°	90.0°
C6N	N1N	C2N	121.5°	90.0°
N1N	C6N	H6	119.0°	90.0°
C4N	C3N	C2N	120.9°	90.0°
C4N	C3N	C7N	120.1°	90.0°
C3N	C4N	H4	108.8°	90.0°
C3N	C4N	H26	108.8°	90.0°
C1D	N1N	C2N	119.4°	90.0°
N1N	C1D	O4D	111.2°	90.0°
N1N	C1D	C2D	111.7°	90.0°
N1N	C1D	H7	109.1°	90.0°
N1N	C2N	C3N	121.6°	90.0°
N1N	C2N	H3	119.2°	90.0°
O4D	C1D	C2D	106.7°	90.0°
C1D	O4D	C4D	109.4°	90.0°
O4D	C1D	H7	109.7°	90.0°
C1D	C2D	O2D	111.0°	90.0°
C1D	C2D	C3D	105.4°	90.0°
C2D	C1D	H7	108.4°	90.0°
C1D	C2D	H8	108.9°	90.0°
C2N	C3N	C7N	119.0°	90.0°
C3N	C2N	H3	119.2°	90.0°
C3N	C7N	N7N	119.0°	90.0°
C3N	C7N	O7N	119.3°	90.0°
O4D	C4D	C5D	110.9°	90.0°
O4D	C4D	C3D	106.4°	90.0°
O4D	C4D	H12	109.7°	90.0°
N7N	C7N	O7N	121.7°	90.0°
C7N	N7N	H1	120.0°	90.0°
C7N	N7N	H2	120.0°	90.0°
C5D	C4D	C3D	112.9°	90.0°
C4D	C5D	O5D	110.4°	90.0°
C5D	C4D	H12	108.4°	90.0°
C4D	C5D	H13	109.2°	90.0°
C4D	C5D	H14	109.2°	90.0°
C4D	C3D	C2D	105.6°	90.0°
C4D	C3D	O3D	110.8°	90.0°
C4D	C3D	H10	109.1°	90.0°
C3D	C4D	H12	108.4°	90.0°
O2D	C2D	C3D	112.1°	90.0°
O2D	C2D	H8	110.3°	90.0°
C2D	O2D	H9	109.5°	90.0°
C2D	C3D	O3D	111.6°	90.0°
C3D	C2D	H8	109.1°	90.0°
C2D	C3D	H10	109.1°	90.0°
C5D	O5D	PN	120.7°	90.0°
O5D	C5D	H13	109.2°	90.0°
O5D	C5D	H14	109.3°	90.0°
O3D	C3D	H10	110.4°	90.0°
C3D	O3D	H11	109.5°	90.0°
O5D	PN	O2N	108.7°	90.0°
O5D	PN	O1N	108.6°	90.0°
O5D	PN	O3	110.2°	90.0°
O2N	PN	O1N	110.7°	90.0°
O2N	PN	O3	109.3°	90.0°
O1N	PN	O3	109.3°	90.0°
PN	O1N	H15	109.5°	90.0°
PN	O3	PA	122.4°	90.0°
O3	PA	O5B	109.9°	90.0°
O3	PA	O2A	110.3°	90.0°
O3	PA	O1A	109.0°	90.0°
C4B	O4B	C1B	111.6°	90.0°
O4B	C4B	C5B	109.9°	90.0°
O4B	C4B	C3B	107.5°	90.0°
O4B	C4B	H19	110.0°	90.0°
O4B	C1B	O1	110.0°	90.0°
O4B	C1B	C2B	107.6°	90.0°
O4B	C1B	H24	110.1°	90.0°
C5B	O5B	PA	121.9°	90.0°
O5B	C5B	C4B	109.4°	90.0°
O5B	C5B	H17	109.5°	90.0°
O5B	C5B	H18	109.5°	90.0°
O5B	PA	O2A	108.5°	90.0°
O5B	PA	O1A	109.2°	90.0°
C5B	C4B	C3B	111.9°	90.0°
C4B	C5B	H17	109.5°	90.0°
C4B	C5B	H18	109.5°	90.0°
C5B	C4B	H19	108.7°	90.0°
C4B	C3B	O3B	110.2°	90.0°
C4B	C3B	C2B	105.9°	90.0°
C3B	C4B	H19	108.8°	90.0°
C4B	C3B	H20	109.2°	90.0°
O2A	PA	O1A	109.8°	90.0°
PA	O1A	H16	109.5°	90.0°
O3B	C3B	C2B	111.8°	90.0°
O3B	C3B	H20	110.4°	90.0°
C3B	O3B	H21	109.5°	90.0°
O1	C1B	C2B	110.4°	90.0°
O1	C1B	H24	110.0°	90.0°
C1B	O1	H25	109.5°	90.0°
C1B	C2B	C3B	106.2°	90.0°
C1B	C2B	O2B	110.7°	90.0°
C1B	C2B	H22	108.9°	90.0°
C2B	C1B	H24	108.8°	90.0°
C3B	C2B	O2B	111.7°	90.0°
C2B	C3B	H20	109.2°	90.0°
C3B	C2B	H22	109.0°	90.0°
O2B	C2B	H22	110.2°	90.0°
C2B	O2B	H23	109.5°	90.0°
H1	N7N	H2	120.0°	90.0°
H4	C4N	H26	109.5°	90.0°
H13	C5D	H14	109.5°	90.0°
H17	C5B	H18	109.4°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6N	C5N	C4N	H5	180.0°	90.0°
C5N	C6N	N1N	H6	180.0°	90.0°
C6N	C5N	C4N	C3N	0.3°	90.0°
C5N	C6N	N1N	C1D	179.7°	90.0°
C5N	C6N	N1N	C2N	0.3°	90.0°
C6N	C5N	C4N	H4	120.7°	90.0°
C6N	C5N	C4N	H26	120.1°	90.0°
C4N	C5N	C6N	N1N	0.3°	90.0°
C5N	C4N	C3N	H4	120.4°	90.0°
C5N	C4N	C3N	H26	120.4°	90.0°
C5N	C4N	C3N	C2N	0.3°	90.0°
C5N	C4N	C3N	C7N	180.0°	90.0°
C5N	C4N	H4	H26	118.8°	90.0°
C4N	C5N	C6N	H6	179.7°	90.0°
C6N	N1N	C1D	C2N	180.0°	90.0°
C6N	N1N	C1D	O4D	121.2°	90.0°
C6N	N1N	C1D	C2D	119.7°	90.0°
C6N	N1N	C2N	C3N	0.4°	90.0°
C6N	N1N	C2N	H3	179.7°	90.0°
N1N	C6N	C5N	H5	179.7°	90.0°
C6N	N1N	C1D	H7	0.1°	90.0°
C4N	C3N	C2N	N1N	0.4°	90.0°
C4N	C3N	C2N	C7N	179.7°	90.0°
C4N	C3N	C7N	N7N	128.1°	90.0°
C4N	C3N	C7N	O7N	52.2°	90.0°
C4N	C3N	C2N	H3	179.7°	90.0°
C3N	C4N	H4	H26	118.7°	90.0°
C3N	C4N	C5N	H5	179.7°	90.0°
N1N	C1D	O4D	C2D	122.0°	90.0°
N1N	C1D	O4D	H7	120.8°	90.0°
N1N	C1D	C2D	H7	120.2°	90.0°
C1D	N1N	C2N	C3N	179.6°	90.0°
N1N	C1D	O4D	C4D	147.2°	90.0°
N1N	C1D	C2D	O2D	102.9°	90.0°
N1N	C1D	C2D	C3D	135.6°	90.0°
C1D	N1N	C2N	H3	0.3°	90.0°
C1D	N1N	C6N	H6	0.4°	90.0°
N1N	C1D	C2D	H8	18.7°	90.0°
C2N	N1N	C1D	O4D	58.8°	90.0°
C2N	N1N	C1D	C2D	60.3°	90.0°
N1N	C2N	C3N	H3	180.0°	90.0°
N1N	C2N	C3N	C7N	180.0°	90.0°
C2N	N1N	C6N	H6	179.7°	90.0°
C2N	N1N	C1D	H7	179.9°	90.0°
O4D	C1D	C2D	H7	118.0°	90.0°
C1D	O4D	C4D	C5D	149.3°	90.0°
C1D	O4D	C4D	C3D	26.1°	90.0°
O4D	C1D	C2D	O2D	135.4°	90.0°
O4D	C1D	C2D	C3D	13.8°	90.0°
O4D	C1D	C2D	H8	103.0°	90.0°
C1D	O4D	C4D	H12	91.0°	90.0°
C2D	C1D	O4D	C4D	25.2°	90.0°
C1D	C2D	C3D	C4D	1.5°	90.0°
C1D	C2D	O2D	C3D	117.5°	90.0°
C1D	C2D	O2D	H8	120.8°	90.0°
C1D	C2D	C3D	H8	116.8°	90.0°
C1D	C2D	C3D	O3D	122.0°	90.0°
C1D	C2D	O2D	H9	180.0°	90.0°
C1D	C2D	C3D	H10	115.7°	90.0°
C2N	C3N	C7N	N7N	51.6°	90.0°
C2N	C3N	C7N	O7N	128.2°	90.0°
C2N	C3N	C4N	H4	120.8°	90.0°
C2N	C3N	C4N	H26	120.0°	90.0°
C3N	C7N	N7N	O7N	179.7°	90.0°
C3N	C7N	N7N	H1	179.7°	90.0°
C3N	C7N	N7N	H2	0.2°	90.0°
C7N	C3N	C2N	H3	0.0°	90.0°
C7N	C3N	C4N	H4	59.6°	90.0°
C7N	C3N	C4N	H26	59.6°	90.0°
O4D	C4D	C5D	C3D	119.4°	90.0°
O4D	C4D	C5D	H12	120.5°	90.0°
O4D	C4D	C3D	H12	117.9°	90.0°
O4D	C4D	C3D	C2D	16.3°	90.0°
O4D	C4D	C5D	O5D	58.1°	90.0°
O4D	C4D	C3D	O3D	137.3°	90.0°
C4D	O4D	C1D	H7	92.0°	90.0°
O4D	C4D	C3D	H10	100.9°	90.0°
O4D	C4D	C5D	H13	62.1°	90.0°
O4D	C4D	C5D	H14	178.2°	90.0°
C7N	N7N	H1	H2	180.0°	90.0°
O7N	C7N	N7N	H1	0.0°	90.0°
O7N	C7N	N7N	H2	180.0°	90.0°
C5D	C4D	C3D	H12	120.1°	90.0°
C5D	C4D	C3D	C2D	138.2°	90.0°
C4D	C5D	O5D	H13	120.2°	90.0°
C4D	C5D	O5D	H14	120.1°	90.0°
C5D	C4D	C3D	O3D	100.8°	90.0°
C4D	C5D	O5D	PN	169.9°	90.0°
C5D	C4D	C3D	H10	21.0°	90.0°
C4D	C5D	H13	H14	119.5°	90.0°
C4D	C3D	C2D	O2D	119.3°	90.0°
C4D	C3D	C2D	O3D	120.5°	90.0°
C4D	C3D	C2D	H10	117.1°	90.0°
C3D	C4D	C5D	O5D	61.3°	90.0°
C4D	C3D	O3D	H10	121.0°	90.0°
C4D	C3D	C2D	H8	118.3°	90.0°
C4D	C3D	O3D	H11	180.0°	90.0°
C3D	C4D	C5D	H13	178.5°	90.0°
C3D	C4D	C5D	H14	58.8°	90.0°
O2D	C2D	C3D	H8	122.4°	90.0°
O2D	C2D	C3D	O3D	1.2°	90.0°
O2D	C2D	C1D	H7	17.3°	90.0°
O2D	C2D	C3D	H10	123.5°	90.0°
C2D	C3D	O3D	H10	121.6°	90.0°
C3D	C2D	C1D	H7	104.2°	90.0°
C3D	C2D	O2D	H9	62.5°	90.0°
C2D	C3D	O3D	H11	62.6°	90.0°
C2D	C3D	C4D	H12	101.7°	90.0°
C5D	O5D	PN	O2N	81.6°	90.0°
C5D	O5D	PN	O1N	157.9°	90.0°
C5D	O5D	PN	O3	38.2°	90.0°
O5D	C5D	C4D	H12	178.6°	90.0°
O5D	C5D	H13	H14	119.6°	90.0°
O3D	C3D	C2D	H8	121.2°	90.0°
O3D	C3D	C4D	H12	19.4°	90.0°
O5D	PN	O2N	O1N	119.2°	90.0°
O5D	PN	O2N	O3	120.3°	90.0°
O5D	PN	O1N	O3	120.2°	90.0°
O5D	PN	O3	PA	175.6°	90.0°
PN	O5D	C5D	H13	69.9°	90.0°
PN	O5D	C5D	H14	49.8°	90.0°
O5D	PN	O1N	H15	119.3°	90.0°
O2N	PN	O1N	O3	120.5°	90.0°
O2N	PN	O3	PA	65.0°	90.0°
O2N	PN	O1N	H15	0.0°	90.0°
O1N	PN	O3	PA	56.3°	90.0°
PN	O3	PA	O5B	106.8°	90.0°
PN	O3	PA	O2A	12.9°	90.0°
PN	O3	PA	O1A	133.5°	90.0°
O3	PN	O1N	H15	120.5°	90.0°
O3	PA	O5B	C5B	76.6°	90.0°
O3	PA	O5B	O2A	120.7°	90.0°
O3	PA	O5B	O1A	119.6°	90.0°
O3	PA	O2A	O1A	120.2°	90.0°
O3	PA	O1A	H16	120.9°	90.0°
O4B	C4B	C5B	O5B	170.5°	90.0°
O4B	C4B	C5B	C3B	119.4°	90.0°
O4B	C4B	C5B	H19	120.5°	90.0°
O4B	C4B	C3B	H19	119.1°	90.0°
O4B	C4B	C3B	O3B	110.8°	90.0°
C4B	O4B	C1B	O1	112.6°	90.0°
C4B	O4B	C1B	C2B	7.7°	90.0°
O4B	C4B	C3B	C2B	10.3°	90.0°
O4B	C4B	C5B	H17	50.5°	90.0°
O4B	C4B	C5B	H18	69.5°	90.0°
O4B	C4B	C3B	H20	127.7°	90.0°
C4B	O4B	C1B	H24	126.1°	90.0°
C1B	O4B	C4B	C5B	110.6°	90.0°
C1B	O4B	C4B	C3B	11.4°	90.0°
O4B	C1B	O1	C2B	118.6°	90.0°
O4B	C1B	O1	H24	121.4°	90.0°
O4B	C1B	C2B	H24	119.2°	90.0°
O4B	C1B	C2B	C3B	0.9°	90.0°
O4B	C1B	C2B	O2B	120.6°	90.0°
C1B	O4B	C4B	H19	129.7°	90.0°
O4B	C1B	C2B	H22	118.1°	90.0°
O4B	C1B	O1	H25	180.0°	90.0°
O5B	C5B	C4B	H17	120.0°	90.0°
O5B	C5B	C4B	H18	120.0°	90.0°
O5B	C5B	C4B	C3B	70.1°	90.0°
C5B	O5B	PA	O2A	162.7°	90.0°
C5B	O5B	PA	O1A	43.0°	90.0°
O5B	C5B	H17	H18	120.1°	90.0°
O5B	C5B	C4B	H19	50.0°	90.0°
PA	O5B	C5B	C4B	163.1°	90.0°
O5B	PA	O2A	O1A	119.3°	90.0°
O5B	PA	O1A	H16	118.9°	90.0°
PA	O5B	C5B	H17	76.9°	90.0°
PA	O5B	C5B	H18	43.1°	90.0°
C5B	C4B	C3B	H19	120.1°	90.0°
C5B	C4B	C3B	O3B	128.4°	90.0°
C5B	C4B	C3B	C2B	110.5°	90.0°
C4B	C5B	H17	H18	120.0°	90.0°
C5B	C4B	C3B	H20	7.0°	90.0°
C4B	C3B	O3B	C2B	117.5°	90.0°
C4B	C3B	O3B	H20	120.7°	90.0°
C4B	C3B	C2B	C1B	5.7°	90.0°
C4B	C3B	C2B	H20	117.4°	90.0°
C4B	C3B	C2B	O2B	126.4°	90.0°
C3B	C4B	C5B	H17	169.9°	90.0°
C3B	C4B	C5B	H18	49.9°	90.0°
C4B	C3B	O3B	H21	180.0°	90.0°
C4B	C3B	C2B	H22	111.5°	90.0°
O2A	PA	O1A	H16	0.0°	90.0°
O3B	C3B	C2B	C1B	114.4°	90.0°
O3B	C3B	C2B	H20	122.5°	90.0°
O3B	C3B	C2B	O2B	6.4°	90.0°
O3B	C3B	C4B	H19	8.3°	90.0°
O3B	C3B	C2B	H22	128.4°	90.0°
O1	C1B	C2B	H24	120.8°	90.0°
O1	C1B	C2B	C3B	119.2°	90.0°
O1	C1B	C2B	O2B	119.4°	90.0°
O1	C1B	C2B	H22	1.9°	90.0°
C1B	C2B	C3B	O2B	120.8°	90.0°
C1B	C2B	C3B	H22	117.2°	90.0°
C1B	C2B	O2B	H22	120.5°	90.0°
C1B	C2B	C3B	H20	123.1°	90.0°
C1B	C2B	O2B	H23	180.0°	90.0°
C2B	C1B	O1	H25	61.4°	90.0°
C3B	C2B	O2B	H22	121.3°	90.0°
C2B	C3B	C4B	H19	129.4°	90.0°
C2B	C3B	O3B	H21	62.5°	90.0°
C3B	C2B	O2B	H23	61.9°	90.0°
C3B	C2B	C1B	H24	120.0°	90.0°
O2B	C2B	C3B	H20	116.1°	90.0°
O2B	C2B	C1B	H24	1.4°	90.0°
H4	C4N	C5N	H5	59.3°	90.0°
H5	C5N	C6N	H6	0.3°	90.0°
H5	C5N	C4N	H26	59.9°	90.0°
H7	C1D	C2D	H8	138.9°	90.0°
H8	C2D	O2D	H9	59.2°	90.0°
H8	C2D	C3D	H10	1.1°	90.0°
H10	C3D	O3D	H11	59.0°	90.0°
H10	C3D	C4D	H12	141.2°	90.0°
H12	C4D	C5D	H13	58.4°	90.0°
H12	C4D	C5D	H14	61.3°	90.0°
H17	C5B	C4B	H19	70.0°	90.0°
H18	C5B	C4B	H19	170.1°	90.0°
H19	C4B	C3B	H20	113.2°	90.0°
H20	C3B	O3B	H21	59.3°	90.0°
H20	C3B	C2B	H22	5.9°	90.0°
H22	C2B	O2B	H23	59.5°	90.0°
H22	C2B	C1B	H24	122.7°	90.0°
H24	C1B	O1	H25	58.6°	90.0°

Release date:	2022-04-20
Definition date:	2021-04-28
Last modified:	2022-04-15
Release status:	REL
Processing site:	PDBE
Derived from:	7OCQ