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Summary Geometry Related PDB entries

6KT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N13	C10	sing	1.35Å	1.46Å
C5	C3	doub	1.36Å	1.40Å	Aromatic
C5	C6	sing	1.40Å	1.40Å	Aromatic
C3	C1	sing	1.41Å	1.39Å	Aromatic
C10	C6	sing	1.47Å	1.51Å
C10	O11	doub	1.22Å	1.18Å
C6	C4	doub	1.39Å	1.37Å	Aromatic
C1	N7	sing	1.34Å	1.40Å	Aromatic
C1	C2	doub	1.40Å	1.42Å	Aromatic
N7	C8	doub	1.29Å	1.34Å	Aromatic
C4	C2	sing	1.39Å	1.35Å	Aromatic
C2	S9	sing	1.76Å	1.75Å	Aromatic
C8	N12	sing	1.38Å	1.45Å
C8	S9	sing	1.76Å	1.75Å	Aromatic
C4	H15	sing	1.08Å	1.08Å
C5	H16	sing	1.08Å	1.08Å
N12	H18	sing	0.97Å	1.00Å
N12	H17	sing	0.97Å	1.00Å
C3	H14	sing	1.08Å	1.08Å
N13	H19	sing	0.97Å	1.00Å
N13	H20	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N13	C10	C6	118.5°	119.9°
N13	C10	O11	121.6°	120.1°
C10	N13	H19	120.0°	120.1°
C10	N13	H20	120.0°	119.9°
C3	C5	C6	121.2°	120.6°
C5	C3	C1	118.4°	120.8°
C3	C5	H16	119.4°	119.7°
C5	C3	H14	120.8°	119.6°
C5	C6	C10	121.4°	120.2°
C5	C6	C4	120.9°	119.6°
C6	C5	H16	119.4°	119.7°
C3	C1	N7	126.7°	128.6°
C3	C1	C2	117.5°	118.6°
C1	C3	H14	120.8°	119.7°
C6	C10	O11	119.9°	120.0°
C10	C6	C4	117.7°	120.2°
C6	C4	C2	117.8°	120.0°
C6	C4	H15	121.1°	120.0°
N7	C1	C2	115.8°	112.8°
C1	N7	C8	110.1°	118.0°
C1	C2	C4	124.1°	120.4°
C1	C2	S9	108.5°	108.5°
N7	C8	N12	122.4°	124.8°
N7	C8	S9	115.4°	110.3°
C4	C2	S9	127.4°	131.1°
C2	C4	H15	121.1°	120.0°
C2	S9	C8	90.2°	90.4°
N12	C8	S9	122.2°	124.8°
C8	N12	H18	109.5°	120.1°
C8	N12	H17	109.5°	120.0°
H18	N12	H17	109.5°	120.0°
H19	N13	H20	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N13	C10	C6	C5	11.1°	0.1°
N13	C10	C6	O11	179.4°	179.9°
N13	C10	C6	C4	169.1°	180.0°
C10	N13	H19	H20	180.0°	179.9°
C3	C5	C6	H16	180.0°	179.7°
C5	C3	C1	H14	180.0°	179.8°
C3	C5	C6	C10	179.6°	179.9°
C3	C5	C6	C4	0.6°	0.0°
C5	C3	C1	N7	179.7°	179.9°
C5	C3	C1	C2	1.0°	0.5°
C6	C5	C3	C1	0.9°	0.2°
C5	C6	C10	C4	179.8°	179.9°
C5	C6	C10	O11	168.3°	180.0°
C5	C6	C4	C2	0.3°	0.0°
C5	C6	C4	H15	179.7°	179.8°
C6	C5	C3	H14	179.1°	180.0°
C3	C1	N7	C2	179.4°	179.5°
C3	C1	N7	C8	179.4°	179.5°
C3	C1	C2	C4	0.8°	0.5°
C3	C1	C2	S9	179.8°	179.5°
C1	C3	C5	H16	179.1°	180.0°
C10	C6	C4	C2	179.8°	179.9°
C10	C6	C4	H15	0.1°	0.3°
C10	C6	C5	H16	0.4°	0.4°
C6	C10	N13	H19	179.4°	0.1°
C6	C10	N13	H20	0.6°	180.0°
O11	C10	C6	C4	11.5°	0.1°
O11	C10	N13	H19	0.0°	180.0°
O11	C10	N13	H20	180.0°	0.1°
C6	C4	C2	C1	0.4°	0.2°
C6	C4	C2	H15	180.0°	179.8°
C6	C4	C2	S9	179.7°	179.7°
C4	C6	C5	H16	179.4°	179.7°
N7	C1	C2	C4	179.8°	180.0°
N7	C1	C2	S9	0.4°	0.0°
C1	N7	C8	N12	179.9°	180.0°
C1	N7	C8	S9	0.3°	0.0°
N7	C1	C3	H14	0.3°	0.3°
C2	C1	N7	C8	0.1°	0.0°
C1	C2	C4	S9	179.3°	180.0°
C1	C2	S9	C8	0.4°	0.0°
C1	C2	C4	H15	179.6°	180.0°
C2	C1	C3	H14	179.0°	179.7°
N7	C8	S9	C2	0.4°	0.0°
N7	C8	N12	S9	179.6°	179.9°
N7	C8	N12	H18	0.0°	180.0°
N7	C8	N12	H17	120.0°	0.0°
C4	C2	S9	C8	179.8°	180.0°
C2	S9	C8	N12	179.9°	180.0°
S9	C2	C4	H15	0.3°	0.1°
C8	N12	H18	H17	120.0°	180.0°
S9	C8	N12	H18	179.6°	0.0°
S9	C8	N12	H17	59.6°	180.0°
H16	C5	C3	H14	0.9°	0.2°

221716

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