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Summary Geometry Related PDB entries

JX7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O11	C1	doub	1.21Å	1.25Å
O10	C2	doub	1.21Å	1.23Å
C1	C2	sing	1.49Å	1.46Å
C1	O12	sing	1.35Å	1.25Å
C2	C3	sing	1.51Å	1.52Å
C3	C4	sing	1.53Å	1.52Å
C5	C4	sing	1.53Å	1.52Å
C5	N6	sing	1.46Å	1.45Å
N6	C7	sing	1.37Å	1.33Å
C7	N8	doub	1.30Å	1.42Å
C7	N13	sing	1.37Å	1.26Å
C3	H1	sing	1.09Å	1.10Å
C3	H2	sing	1.09Å	1.10Å
C4	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
N6	H7	sing	0.97Å	1.00Å
N8	H8	sing	0.97Å	1.00Å
O12	H9	sing	0.97Å	0.95Å
N13	H10	sing	0.97Å	1.00Å
N13	H11	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O11	C1	C2	119.0°	120.0°
O11	C1	O12	122.3°	120.0°
O10	C2	C1	120.1°	120.0°
O10	C2	C3	123.3°	120.0°
C2	C1	O12	118.8°	120.0°
C1	C2	C3	116.6°	120.0°
C1	O12	H9	109.5°	117.0°
C2	C3	C4	114.4°	109.5°
C2	C3	H1	108.2°	109.5°
C2	C3	H2	108.2°	109.5°
C3	C4	C5	110.5°	109.5°
C4	C3	H1	108.2°	109.4°
C4	C3	H2	108.2°	109.5°
C3	C4	H3	109.2°	109.5°
C3	C4	H4	109.2°	109.5°
C4	C5	N6	112.2°	109.5°
C5	C4	H3	109.2°	109.5°
C5	C4	H4	109.2°	109.4°
C4	C5	H5	108.8°	109.4°
C4	C5	H6	108.8°	109.4°
C5	N6	C7	122.8°	120.0°
N6	C5	H5	108.8°	109.5°
N6	C5	H6	108.8°	109.5°
C5	N6	H7	118.6°	120.0°
N6	C7	N8	120.1°	120.0°
N6	C7	N13	120.1°	120.0°
C7	N6	H7	118.6°	120.0°
N8	C7	N13	119.8°	120.0°
C7	N8	H8	112.0°	120.0°
C7	N13	H10	120.0°	120.0°
C7	N13	H11	120.0°	120.0°
H1	C3	H2	109.5°	109.4°
H3	C4	H4	109.5°	109.5°
H5	C5	H6	109.5°	109.5°
H10	N13	H11	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O11	C1	C2	O10	51.5°	180.0°
O11	C1	C2	O12	178.6°	179.9°
O11	C1	C2	C3	127.6°	0.1°
O11	C1	O12	H9	0.0°	0.0°
O10	C2	C1	C3	179.2°	179.9°
O10	C2	C1	O12	129.9°	0.1°
O10	C2	C3	C4	13.0°	0.0°
O10	C2	C3	H1	133.8°	119.9°
O10	C2	C3	H2	107.7°	120.1°
C1	C2	C3	C4	167.8°	180.0°
C1	C2	C3	H1	47.0°	60.0°
C1	C2	C3	H2	71.5°	60.0°
C2	C1	O12	H9	178.5°	179.9°
O12	C1	C2	C3	50.9°	180.0°
C2	C3	C4	H1	120.8°	120.0°
C2	C3	C4	H2	120.7°	120.0°
C2	C3	C4	C5	156.3°	180.0°
C2	C3	H1	H2	117.7°	120.0°
C2	C3	C4	H3	36.2°	60.0°
C2	C3	C4	H4	83.5°	60.0°
C3	C4	C5	H3	120.2°	120.0°
C3	C4	C5	H4	120.1°	120.0°
C3	C4	C5	N6	173.5°	180.0°
C4	C3	H1	H2	117.7°	120.0°
C3	C4	H3	H4	119.5°	120.0°
C3	C4	C5	H5	53.1°	59.9°
C3	C4	C5	H6	66.0°	60.0°
C4	C5	N6	H5	120.4°	120.0°
C4	C5	N6	H6	120.4°	120.0°
C4	C5	N6	C7	79.2°	180.0°
C5	C4	C3	H1	82.9°	60.0°
C5	C4	C3	H2	35.6°	60.0°
C5	C4	H3	H4	119.6°	119.9°
C4	C5	H5	H6	118.7°	119.9°
C4	C5	N6	H7	100.8°	0.1°
C5	N6	C7	H7	180.0°	179.9°
C5	N6	C7	N8	177.9°	180.0°
C5	N6	C7	N13	1.2°	0.4°
N6	C5	C4	H3	66.3°	60.0°
N6	C5	C4	H4	53.4°	60.0°
N6	C5	H5	H6	118.8°	120.0°
N6	C7	N8	N13	179.1°	179.6°
C7	N6	C5	H5	41.2°	60.1°
C7	N6	C5	H6	160.4°	60.0°
N6	C7	N8	H8	179.1°	179.7°
N6	C7	N13	H10	179.2°	179.7°
N6	C7	N13	H11	0.9°	0.4°
N8	C7	N6	H7	2.1°	0.1°
N8	C7	N13	H10	0.0°	0.1°
N8	C7	N13	H11	180.0°	180.0°
N13	C7	N6	H7	178.8°	179.7°
N13	C7	N8	H8	0.0°	0.1°
C7	N13	H10	H11	180.0°	179.9°
H1	C3	C4	H3	156.9°	60.1°
H1	C3	C4	H4	37.2°	180.0°
H2	C3	C4	H3	84.6°	180.0°
H2	C3	C4	H4	155.7°	60.0°
H3	C4	C5	H5	173.3°	180.0°
H3	C4	C5	H6	54.1°	60.0°
H4	C4	C5	H5	67.0°	60.1°
H4	C4	C5	H6	173.8°	180.0°
H5	C5	N6	H7	138.8°	120.1°
H6	C5	N6	H7	19.6°	119.9°

218853

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