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Summary Geometry Related PDB entries

7I2

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	N2	sing	1.40Å	1.38Å	Aromatic
N1	C8	doub	1.31Å	1.32Å	Aromatic
N2	C3	sing	1.34Å	1.49Å	Aromatic
N2	C13	sing	1.39Å	1.41Å
C3	C9	doub	1.38Å	1.40Å	Aromatic
C3	H31	sing	1.08Å	1.10Å
C4	C5	doub	1.37Å	1.38Å	Aromatic
C4	C9	sing	1.41Å	1.40Å	Aromatic
C4	H41	sing	1.08Å	1.10Å
C5	C6	sing	1.38Å	1.37Å	Aromatic
C5	H51	sing	1.08Å	1.10Å
C6	C7	doub	1.40Å	1.39Å	Aromatic
C6	H61	sing	1.08Å	1.10Å
C7	C8	sing	1.47Å	1.42Å	Aromatic
C7	N10	sing	1.33Å	1.32Å
C8	C9	sing	1.47Å	1.39Å	Aromatic
N10	O11	doub	1.42Å	1.21Å
N10	O12	sing	1.22Å	1.22Å
C13	N14	doub	1.30Å	1.33Å
C13	N15	sing	1.37Å	1.32Å
N14	H14	sing	0.97Å	1.02Å
N15	H151	sing	0.97Å	1.02Å
N15	H152	sing	0.97Å	1.02Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	N1	C8	111.4°	109.2°
N1	N2	C3	106.1°	109.8°
N1	N2	C13	127.0°	125.2°
N1	C8	C7	131.5°	134.9°
N1	C8	C9	109.1°	107.1°
C3	N2	C13	126.9°	125.0°
N2	C3	C9	103.8°	107.7°
N2	C3	H31	130.2°	126.1°
N2	C13	N14	120.0°	120.1°
N2	C13	N15	120.0°	119.9°
C9	C3	H31	126.0°	126.2°
C3	C9	C4	131.4°	134.8°
C3	C9	C8	109.6°	106.2°
C5	C4	C9	120.6°	120.7°
C5	C4	H41	118.8°	119.7°
C4	C5	C6	121.3°	122.6°
C4	C5	H51	119.5°	118.7°
C9	C4	H41	120.6°	119.7°
C4	C9	C8	119.0°	119.0°
C6	C5	H51	119.3°	118.8°
C5	C6	C7	119.4°	121.2°
C5	C6	H61	119.8°	119.4°
C7	C6	H61	120.8°	119.4°
C6	C7	C8	120.3°	118.6°
C6	C7	N10	119.8°	120.7°
C8	C7	N10	119.8°	120.7°
C7	C8	C9	119.4°	118.0°
C7	N10	O11	120.1°	120.0°
C7	N10	O12	120.0°	120.0°
O11	N10	O12	119.9°	120.0°
N14	C13	N15	120.0°	120.0°
C13	N14	H14	120.0°	120.0°
C13	N15	H151	120.0°	120.0°
C13	N15	H152	108.4°	120.0°
H151	N15	H152	108.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	N2	C3	C13	178.0°	179.8°
N1	N2	C3	C9	0.4°	0.2°
N1	N2	C3	H31	179.6°	179.8°
N2	N1	C8	C7	179.6°	179.9°
N2	N1	C8	C9	0.3°	0.4°
N1	N2	C13	N14	139.8°	179.7°
N1	N2	C13	N15	40.6°	0.3°
C8	N1	N2	C3	0.4°	0.4°
C8	N1	N2	C13	177.6°	179.8°
N1	C8	C9	C3	0.0°	0.2°
N1	C8	C9	C4	179.8°	179.8°
N1	C8	C7	C6	179.7°	179.7°
N1	C8	C7	C9	179.8°	179.7°
N1	C8	C7	N10	0.3°	0.3°
N2	C3	C9	H31	180.0°	180.0°
N2	C3	C9	C4	179.6°	180.0°
N2	C3	C9	C8	0.2°	0.0°
C3	N2	C13	N14	42.7°	0.0°
C3	N2	C13	N15	137.0°	180.0°
C13	N2	C3	C9	177.6°	180.0°
C13	N2	C3	H31	2.5°	0.0°
N2	C13	N14	N15	179.7°	180.0°
N2	C13	N14	H14	103.0°	0.0°
N2	C13	N15	H151	180.0°	180.0°
N2	C13	N15	H152	54.8°	0.3°
C3	C9	C4	C5	179.7°	180.0°
C3	C9	C4	C8	179.8°	180.0°
C3	C9	C4	H41	0.3°	0.0°
C3	C9	C8	C7	179.9°	180.0°
H31	C3	C9	C4	0.4°	0.0°
H31	C3	C9	C8	179.7°	180.0°
C5	C4	C9	H41	180.0°	180.0°
C4	C5	C6	H51	180.0°	180.0°
C4	C5	C6	C7	0.0°	0.0°
C4	C5	C6	H61	180.0°	180.0°
C5	C4	C9	C8	0.1°	0.0°
C9	C4	C5	C6	0.1°	0.0°
C9	C4	C5	H51	179.9°	180.0°
C4	C9	C8	C7	0.0°	0.0°
H41	C4	C5	C6	179.8°	180.0°
H41	C4	C5	H51	0.1°	0.0°
H41	C4	C9	C8	179.9°	180.0°
C5	C6	C7	H61	180.0°	180.0°
C5	C6	C7	C8	0.1°	0.0°
C5	C6	C7	N10	179.9°	180.0°
H51	C5	C6	C7	180.0°	180.0°
H51	C5	C6	H61	0.0°	0.0°
C6	C7	C8	N10	179.9°	180.0°
C6	C7	C8	C9	0.1°	0.0°
C6	C7	N10	O11	179.8°	0.0°
C6	C7	N10	O12	0.2°	180.0°
H61	C6	C7	C8	179.9°	180.0°
H61	C6	C7	N10	0.1°	0.0°
C8	C7	N10	O11	0.3°	180.0°
C8	C7	N10	O12	179.8°	0.0°
N10	C7	C8	C9	179.9°	180.0°
C7	N10	O11	O12	180.0°	180.0°
N14	C13	N15	H151	0.3°	0.0°
N14	C13	N15	H152	124.9°	179.7°
N15	C13	N14	H14	77.4°	180.0°
C13	N15	H151	H152	125.2°	179.7°

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