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Summary Geometry Related PDB entries

30W

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	C6	sing	1.47Å	1.40Å
C6	C7	doub	1.40Å	1.40Å	Aromatic
C6	N5	sing	1.33Å	1.35Å	Aromatic
C7	N8	sing	1.32Å	1.40Å	Aromatic
N5	C4A	doub	1.32Å	1.34Å	Aromatic
N8	C8A	doub	1.33Å	1.34Å	Aromatic
C4A	C8A	sing	1.42Å	1.40Å	Aromatic
C4A	C4	sing	1.48Å	1.39Å
C8A	N1	sing	1.34Å	1.33Å
O4	C4	doub	1.22Å	1.23Å
C4	N3	sing	1.35Å	1.41Å
N1	C2	doub	1.31Å	1.34Å
N3	C2	sing	1.36Å	1.43Å
C2	N2	sing	1.38Å	1.34Å
O10	C10	doub	1.21Å	1.22Å
N2	C10	sing	1.35Å	1.34Å
C10	C11	sing	1.51Å	1.53Å
C11	H1	sing	1.09Å	1.10Å
C11	H2	sing	1.09Å	1.10Å
C11	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.08Å	1.08Å
C9	H5	sing	1.08Å	1.08Å
N2	H8	sing	0.97Å	1.00Å
N3	H9	sing	0.97Å	1.00Å
C9	O9	doub	1.21Å	1.37Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C6	C7	120.5°	119.8°
C9	C6	N5	120.1°	119.9°
C6	C9	H5	120.5°	120.0°
C6	C9	O9	119.0°	119.9°
C7	C6	N5	119.4°	120.3°
C6	C7	N8	119.4°	120.5°
C6	C7	H4	120.3°	119.7°
C6	N5	C4A	121.2°	119.5°
C7	N8	C8A	119.6°	119.8°
N8	C7	H4	120.3°	119.7°
N5	C4A	C8A	120.1°	120.3°
N5	C4A	C4	120.1°	121.7°
N8	C8A	C4A	120.1°	119.5°
N8	C8A	N1	118.4°	121.4°
C8A	C4A	C4	119.8°	118.0°
C4A	C8A	N1	121.3°	119.1°
C4A	C4	O4	120.4°	121.3°
C4A	C4	N3	118.4°	117.4°
C8A	N1	C2	121.8°	121.8°
O4	C4	N3	121.1°	121.3°
C4	N3	C2	119.1°	120.5°
C4	N3	H9	120.5°	119.7°
N1	C2	N3	119.6°	123.3°
N1	C2	N2	115.4°	118.3°
N3	C2	N2	124.9°	118.4°
C2	N3	H9	120.5°	119.8°
C2	N2	C10	122.4°	120.1°
C2	N2	H8	118.8°	120.0°
O10	C10	N2	124.9°	120.0°
O10	C10	C11	120.1°	120.0°
N2	C10	C11	115.0°	120.1°
C10	N2	H8	118.8°	120.0°
C10	C11	H1	109.5°	109.5°
C10	C11	H2	109.4°	109.5°
C10	C11	H3	109.5°	109.5°
H1	C11	H2	109.5°	109.4°
H1	C11	H3	109.5°	109.4°
H2	C11	H3	109.5°	109.5°
H5	C9	O9	120.5°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C6	C7	N5	177.0°	180.0°
C9	C6	C7	N8	179.1°	180.0°
C9	C6	N5	C4A	178.1°	180.0°
C9	C6	C7	H4	1.0°	0.0°
C6	C9	H5	O9	180.0°	180.0°
C6	C7	N8	H4	180.0°	180.0°
C7	C6	N5	C4A	1.1°	0.0°
C6	C7	N8	C8A	5.0°	0.0°
C7	C6	C9	H5	167.9°	0.0°
C7	C6	C9	O9	12.1°	180.0°
N5	C6	C7	N8	2.1°	0.0°
C6	N5	C4A	C8A	2.8°	0.0°
C6	N5	C4A	C4	179.7°	180.0°
N5	C6	C7	H4	177.9°	180.0°
N5	C6	C9	H5	15.1°	180.0°
N5	C6	C9	O9	164.9°	0.0°
C7	N8	C8A	C4A	6.7°	0.0°
C7	N8	C8A	N1	179.0°	180.0°
N5	C4A	C8A	N8	5.7°	0.0°
N5	C4A	C8A	C4	176.9°	180.0°
N5	C4A	C8A	N1	179.8°	180.0°
N5	C4A	C4	O4	3.0°	0.2°
N5	C4A	C4	N3	179.4°	180.0°
N8	C8A	C4A	N1	174.1°	180.0°
N8	C8A	C4A	C4	177.3°	180.0°
N8	C8A	N1	C2	176.7°	179.9°
C8A	N8	C7	H4	175.0°	180.0°
C8A	C4A	C4	O4	179.9°	179.7°
C8A	C4A	C4	N3	3.7°	0.0°
C4A	C8A	N1	C2	2.5°	0.0°
C4	C4A	C8A	N1	3.3°	0.0°
C4A	C4	O4	N3	176.3°	179.8°
C4A	C4	N3	C2	3.3°	0.0°
C4A	C4	N3	H9	176.7°	180.0°
C8A	N1	C2	N3	2.1°	0.1°
C8A	N1	C2	N2	180.0°	180.0°
O4	C4	N3	C2	179.7°	179.7°
O4	C4	N3	H9	0.3°	0.2°
C4	N3	C2	N1	2.6°	0.1°
C4	N3	C2	H9	180.0°	180.0°
C4	N3	C2	N2	179.8°	180.0°
N1	C2	N3	N2	177.7°	179.9°
N1	C2	N2	C10	163.3°	0.0°
N1	C2	N2	H8	16.6°	179.9°
N1	C2	N3	H9	177.4°	180.0°
N3	C2	N2	C10	18.9°	180.0°
N3	C2	N2	H8	161.1°	0.0°
C2	N2	C10	O10	3.1°	0.0°
C2	N2	C10	H8	180.0°	179.9°
C2	N2	C10	C11	176.0°	180.0°
N2	C2	N3	H9	0.2°	0.0°
O10	C10	N2	C11	179.0°	180.0°
O10	C10	C11	H1	0.0°	120.0°
O10	C10	C11	H2	120.0°	0.1°
O10	C10	C11	H3	120.0°	120.0°
O10	C10	N2	H8	177.0°	179.9°
N2	C10	C11	H1	179.1°	60.0°
N2	C10	C11	H2	59.1°	180.0°
N2	C10	C11	H3	60.9°	60.0°
C10	C11	H1	H2	120.0°	120.0°
C10	C11	H1	H3	120.0°	120.0°
C10	C11	H2	H3	120.0°	120.1°
C11	C10	N2	H8	4.0°	0.0°
H1	C11	H2	H3	120.0°	120.0°

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