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Summary Geometry Related PDB entries

72V

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C3	doub	1.38Å	0.00Å	Aromatic
C4	C5	sing	1.38Å	0.00Å	Aromatic
C3	C2	sing	1.38Å	0.00Å	Aromatic
C5	C6	doub	1.39Å	0.00Å	Aromatic
C2	C1	doub	1.39Å	0.00Å	Aromatic
C6	C1	sing	1.40Å	0.00Å	Aromatic
C6	N7	sing	1.39Å	0.00Å
C1	C9	sing	1.47Å	0.00Å
N7	C10	sing	1.46Å	0.00Å
N7	C8	sing	1.34Å	0.00Å
C9	O12	doub	1.21Å	0.00Å
C9	C8	sing	1.50Å	0.00Å
C8	O11	doub	1.21Å	0.00Å
C2	H3	sing	1.08Å	0.00Å
C3	H4	sing	1.08Å	0.00Å
C4	H5	sing	1.08Å	0.00Å
C5	H6	sing	1.08Å	0.00Å
C10	H7	sing	1.09Å	0.00Å
C10	H8	sing	1.09Å	0.00Å
C10	H9	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C4	C5	90.0°	120.7°
C4	C3	C2	90.0°	120.1°
C4	C3	H4	90.0°	119.9°
C3	C4	H5	90.0°	119.7°
C4	C5	C6	90.0°	120.2°
C5	C4	H5	90.0°	119.6°
C4	C5	H6	90.0°	119.9°
C3	C2	C1	90.0°	119.7°
C3	C2	H3	90.0°	120.1°
C2	C3	H4	90.0°	120.0°
C5	C6	C1	90.0°	119.0°
C5	C6	N7	90.0°	131.4°
C6	C5	H6	90.0°	119.9°
C2	C1	C6	90.0°	120.4°
C2	C1	C9	90.0°	133.1°
C1	C2	H3	90.0°	120.2°
C1	C6	N7	90.0°	109.7°
C6	C1	C9	90.0°	106.6°
C6	N7	C10	90.0°	124.3°
C6	N7	C8	90.0°	111.4°
C1	C9	O12	90.0°	127.6°
C1	C9	C8	90.0°	104.9°
C10	N7	C8	90.0°	124.3°
N7	C10	H7	90.0°	109.5°
N7	C10	H8	90.0°	109.5°
N7	C10	H9	90.0°	109.5°
N7	C8	C9	90.0°	107.5°
N7	C8	O11	90.0°	126.3°
O12	C9	C8	90.0°	127.6°
C9	C8	O11	90.0°	126.2°
H7	C10	H8	90.0°	109.5°
H7	C10	H9	90.0°	109.5°
H8	C10	H9	90.0°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C4	C5	H5	90.0°	180.0°
C4	C3	C2	H4	90.0°	179.9°
C3	C4	C5	C6	90.0°	0.0°
C4	C3	C2	C1	90.0°	0.0°
C4	C3	C2	H3	90.0°	179.9°
C3	C4	C5	H6	90.0°	180.0°
C5	C4	C3	C2	90.0°	0.0°
C4	C5	C6	H6	90.0°	179.9°
C4	C5	C6	C1	90.0°	0.1°
C4	C5	C6	N7	90.0°	179.6°
C5	C4	C3	H4	90.0°	179.9°
C3	C2	C1	H3	90.0°	180.0°
C3	C2	C1	C6	90.0°	0.0°
C3	C2	C1	C9	90.0°	180.0°
C2	C3	C4	H5	90.0°	180.0°
C5	C6	C1	C2	90.0°	0.0°
C5	C6	C1	N7	90.0°	179.8°
C5	C6	C1	C9	90.0°	180.0°
C5	C6	N7	C10	90.0°	0.0°
C5	C6	N7	C8	90.0°	179.8°
C6	C5	C4	H5	90.0°	180.0°
C2	C1	C6	C9	90.0°	180.0°
C2	C1	C6	N7	90.0°	179.8°
C2	C1	C9	O12	90.0°	0.0°
C2	C1	C9	C8	90.0°	180.0°
C1	C2	C3	H4	90.0°	180.0°
C1	C6	N7	C10	90.0°	179.7°
C1	C6	N7	C8	90.0°	0.4°
C6	C1	C9	O12	90.0°	180.0°
C6	C1	C9	C8	90.0°	0.0°
C6	C1	C2	H3	90.0°	179.9°
C1	C6	C5	H6	90.0°	180.0°
N7	C6	C1	C9	90.0°	0.3°
C6	N7	C10	C8	90.0°	179.9°
C6	N7	C8	C9	90.0°	0.4°
C6	N7	C8	O11	90.0°	179.9°
N7	C6	C5	H6	90.0°	0.3°
C6	N7	C10	H7	90.0°	90.0°
C6	N7	C10	H8	90.0°	150.0°
C6	N7	C10	H9	90.0°	30.0°
C1	C9	C8	N7	90.0°	0.2°
C1	C9	O12	C8	90.0°	180.0°
C1	C9	C8	O11	90.0°	179.9°
C9	C1	C2	H3	90.0°	0.1°
C10	N7	C8	C9	90.0°	179.7°
C10	N7	C8	O11	90.0°	0.0°
N7	C10	H7	H8	90.0°	120.0°
N7	C10	H7	H9	90.0°	120.0°
N7	C10	H8	H9	90.0°	120.0°
N7	C8	C9	O12	90.0°	179.8°
N7	C8	C9	O11	90.0°	179.7°
C8	N7	C10	H7	90.0°	90.1°
C8	N7	C10	H8	90.0°	29.9°
C8	N7	C10	H9	90.0°	149.8°
O12	C9	C8	O11	90.0°	0.1°
H3	C2	C3	H4	90.0°	0.0°
H4	C3	C4	H5	90.0°	0.1°
H5	C4	C5	H6	90.0°	0.0°
H7	C10	H8	H9	90.0°	120.0°

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