0MI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N3	N2	doub	0.00Å	1.16Å
N2	N1	doub	0.00Å	1.28Å
N1	C7	sing	0.00Å	1.48Å
C7	C6	sing	0.00Å	1.52Å
O	C5	sing	0.00Å	1.42Å
C6	C5	sing	0.00Å	1.53Å
C6	O1	sing	0.00Å	1.44Å
C5	C4	sing	0.00Å	1.52Å
O1	C3	sing	0.00Å	1.41Å
C4	C3	sing	0.00Å	1.51Å
C	C1	sing	0.00Å	1.49Å
C2	C1	doub	0.00Å	1.34Å
C2	N	sing	0.00Å	1.37Å
C3	N	sing	0.00Å	1.47Å
C1	C9	sing	0.00Å	1.44Å
N	C8	sing	0.00Å	1.37Å
C9	N4	sing	0.00Å	1.37Å
C9	O3	doub	0.00Å	1.21Å
C8	N4	sing	0.00Å	1.37Å
C8	O2	doub	0.00Å	1.21Å
C7	H1	sing	0.00Å	1.10Å
C7	H2	sing	0.00Å	1.10Å
C5	H3	sing	0.00Å	1.10Å
C6	H4	sing	0.00Å	1.10Å
N3	H5	sing	0.00Å	1.00Å
C4	H6	sing	0.00Å	1.10Å
C4	H7	sing	0.00Å	1.10Å
C3	H8	sing	0.00Å	1.10Å
C2	H9	sing	0.00Å	1.08Å
N4	H10	sing	0.00Å	1.00Å
C	H11	sing	0.00Å	1.10Å
C	H12	sing	0.00Å	1.10Å
C	H13	sing	0.00Å	1.10Å
O	H14	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N3	N2	N1	171.9°	90.0°
N2	N3	H5	112.0°	90.0°
N2	N1	C7	124.1°	90.0°
N1	C7	C6	113.4°	90.0°
N1	C7	H1	108.5°	90.0°
N1	C7	H2	108.5°	90.0°
C7	C6	C5	115.6°	90.0°
C7	C6	O1	108.7°	90.0°
C6	C7	H1	108.5°	90.0°
C6	C7	H2	108.5°	90.0°
C7	C6	H4	108.3°	90.0°
O	C5	C6	110.8°	90.0°
O	C5	C4	105.9°	90.0°
O	C5	H3	112.8°	90.0°
C5	O	H14	109.5°	90.0°
C5	C6	O1	106.7°	90.0°
C6	C5	C4	104.5°	90.0°
C6	C5	H3	111.1°	90.0°
C5	C6	H4	108.1°	90.0°
C6	O1	C3	110.9°	90.0°
O1	C6	H4	109.3°	90.0°
C5	C4	C3	104.3°	90.0°
C4	C5	H3	111.3°	90.0°
C5	C4	H6	110.8°	90.0°
C5	C4	H7	110.7°	90.0°
O1	C3	C4	106.6°	90.0°
O1	C3	N	108.6°	90.0°
O1	C3	H8	109.5°	90.0°
C4	C3	N	115.2°	90.0°
C3	C4	H6	110.8°	90.0°
C3	C4	H7	110.7°	90.0°
C4	C3	H8	108.1°	90.0°
C	C1	C2	123.1°	90.0°
C	C1	C9	118.8°	90.0°
C1	C	H11	109.5°	90.0°
C1	C	H12	109.5°	90.0°
C1	C	H13	109.5°	90.0°
C1	C2	N	123.5°	90.0°
C2	C1	C9	118.1°	90.0°
C1	C2	H9	118.2°	90.0°
C2	N	C3	121.2°	90.0°
C2	N	C8	121.3°	90.0°
N	C2	H9	118.3°	90.0°
C3	N	C8	117.1°	90.0°
N	C3	H8	108.7°	90.0°
C1	C9	N4	115.2°	90.0°
C1	C9	O3	124.7°	90.0°
N	C8	N4	114.8°	90.0°
N	C8	O2	122.8°	90.0°
N4	C9	O3	120.1°	90.0°
C9	N4	C8	127.1°	90.0°
C9	N4	H10	116.5°	90.0°
N4	C8	O2	122.3°	90.0°
C8	N4	H10	116.5°	90.0°
H1	C7	H2	109.4°	90.0°
H6	C4	H7	109.5°	90.0°
H11	C	H12	109.4°	90.0°
H11	C	H13	109.5°	90.0°
H12	C	H13	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N3	N2	N1	C7	4.3°	90.0°
N2	N1	C7	C6	150.5°	90.0°
N2	N1	C7	H1	30.0°	90.0°
N2	N1	C7	H2	88.8°	90.0°
N1	N2	N3	H5	0.0°	90.0°
N1	C7	C6	H1	120.6°	90.0°
N1	C7	C6	H2	120.6°	90.0°
N1	C7	C6	C5	94.5°	90.0°
N1	C7	C6	O1	145.6°	90.0°
N1	C7	H1	H2	118.2°	90.0°
N1	C7	C6	H4	27.0°	90.0°
C7	C6	C5	O	114.8°	90.0°
C7	C6	C5	O1	121.0°	90.0°
C7	C6	C5	H4	121.6°	90.0°
C7	C6	O1	H4	118.0°	90.0°
C7	C6	C5	C4	131.6°	90.0°
C7	C6	O1	C3	118.8°	90.0°
C6	C7	H1	H2	118.2°	90.0°
C7	C6	C5	H3	11.4°	90.0°
O	C5	C6	C4	113.6°	90.0°
O	C5	C6	H3	126.2°	90.0°
O	C5	C6	O1	124.2°	90.0°
O	C5	C4	H3	122.9°	90.0°
O	C5	C4	C3	139.4°	90.0°
O	C5	C6	H4	6.8°	90.0°
O	C5	C4	H6	101.3°	90.0°
O	C5	C4	H7	20.3°	90.0°
C5	C6	O1	H4	116.7°	90.0°
C6	C5	C4	H3	120.1°	90.0°
C5	C6	O1	C3	6.5°	90.0°
C6	C5	C4	C3	22.4°	90.0°
C5	C6	C7	H1	145.0°	90.0°
C5	C6	C7	H2	26.1°	90.0°
C6	C5	C4	H6	141.6°	90.0°
C6	C5	C4	H7	96.8°	90.0°
C6	C5	O	H14	180.0°	90.0°
O1	C6	C5	C4	10.6°	90.0°
C6	O1	C3	C4	21.1°	90.0°
C6	O1	C3	N	103.6°	90.0°
O1	C6	C7	H1	25.1°	90.0°
O1	C6	C7	H2	93.8°	90.0°
O1	C6	C5	H3	109.6°	90.0°
C6	O1	C3	H8	137.9°	90.0°
C5	C4	C3	O1	26.9°	90.0°
C5	C4	C3	H6	119.2°	90.0°
C5	C4	C3	H7	119.2°	90.0°
C5	C4	C3	N	93.6°	90.0°
C4	C5	C6	H4	106.9°	90.0°
C5	C4	H6	H7	122.4°	90.0°
C5	C4	C3	H8	144.6°	90.0°
C4	C5	O	H14	67.2°	90.0°
O1	C3	C4	N	120.5°	90.0°
O1	C3	C4	H8	117.7°	90.0°
O1	C3	N	C2	11.9°	90.0°
O1	C3	N	H8	119.1°	90.0°
O1	C3	N	C8	175.7°	90.0°
C3	O1	C6	H4	123.1°	90.0°
O1	C3	C4	H6	146.1°	90.0°
O1	C3	C4	H7	92.2°	90.0°
C4	C3	N	C2	131.3°	90.0°
C4	C3	N	H8	121.5°	90.0°
C4	C3	N	C8	56.2°	90.0°
C3	C4	C5	H3	97.7°	90.0°
C3	C4	H6	H7	122.4°	90.0°
C	C1	C2	C9	178.7°	90.0°
C	C1	C2	N	176.6°	90.0°
C	C1	C9	N4	178.2°	90.0°
C	C1	C9	O3	1.6°	90.0°
C	C1	C2	H9	3.3°	90.0°
C1	C	H11	H12	120.0°	90.0°
C1	C	H11	H13	120.0°	90.0°
C1	C	H12	H13	120.0°	90.0°
C1	C2	N	H9	180.0°	90.0°
C1	C2	N	C3	170.1°	90.0°
C1	C2	N	C8	2.0°	90.0°
C2	C1	C9	N4	0.6°	90.0°
C2	C1	C9	O3	179.7°	90.0°
C2	C1	C	H11	180.0°	90.0°
C2	C1	C	H12	60.0°	90.0°
C2	C1	C	H13	60.0°	90.0°
C2	N	C3	C8	172.4°	90.0°
N	C2	C1	C9	2.0°	90.0°
C2	N	C8	N4	0.4°	90.0°
C2	N	C8	O2	176.7°	90.0°
C2	N	C3	H8	107.2°	90.0°
C3	N	C8	N4	172.1°	90.0°
C3	N	C8	O2	4.3°	90.0°
N	C3	C4	H6	25.6°	90.0°
N	C3	C4	H7	147.2°	90.0°
C3	N	C2	H9	9.8°	90.0°
C1	C9	N4	O3	179.7°	90.0°
C1	C9	N4	C8	1.0°	90.0°
C9	C1	C2	H9	178.0°	90.0°
C1	C9	N4	H10	179.0°	90.0°
C9	C1	C	H11	1.3°	90.0°
C9	C1	C	H12	118.6°	90.0°
C9	C1	C	H13	121.3°	90.0°
N	C8	N4	C9	1.1°	90.0°
N	C8	N4	O2	176.4°	90.0°
C8	N	C3	H8	65.2°	90.0°
C8	N	C2	H9	178.1°	90.0°
N	C8	N4	H10	178.9°	90.0°
C9	N4	C8	H10	180.0°	90.0°
C9	N4	C8	O2	175.2°	90.0°
O3	C9	N4	C8	178.7°	90.0°
O3	C9	N4	H10	1.2°	90.0°
O2	C8	N4	H10	4.7°	90.0°
H1	C7	C6	H4	93.6°	90.0°
H2	C7	C6	H4	147.6°	90.0°
H3	C5	C6	H4	133.0°	90.0°
H3	C5	C4	H6	21.5°	90.0°
H3	C5	C4	H7	143.2°	90.0°
H3	C5	O	H14	54.7°	90.0°
H6	C4	C3	H8	96.2°	90.0°
H7	C4	C3	H8	25.4°	90.0°
H11	C	H12	H13	120.0°	90.0°

Release date:	2021-09-08
Definition date:	2021-06-14
Last modified:	2021-09-03
Release status:	REL
Processing site:	RCSB
Derived from:	7N7U