P5Q
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C09 | N08 | sing | 1.33Å | 1.35Å | Aromatic |
C09 | N10 | doub | 1.31Å | 1.32Å | Aromatic |
N08 | C07 | doub | 1.31Å | 1.34Å | Aromatic |
N10 | N06 | sing | 1.40Å | 1.34Å | Aromatic |
C07 | N06 | sing | 1.35Å | 1.31Å | Aromatic |
N06 | C05 | sing | 1.40Å | 1.45Å | |
C05 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
C05 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
C04 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
C12 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
C03 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
C02 | C01 | sing | 1.51Å | 1.52Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C03 | H4 | sing | 1.08Å | 1.08Å | |
C04 | H5 | sing | 1.08Å | 1.08Å | |
C07 | H6 | sing | 1.08Å | 1.08Å | |
C09 | H7 | sing | 1.08Å | 1.08Å | |
C11 | H8 | sing | 1.08Å | 1.08Å | |
C12 | H9 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N08 | C09 | N10 | 107.6° | 109.0° |
C09 | N08 | C07 | 108.0° | 109.8° |
N08 | C09 | H7 | 126.2° | 125.5° |
C09 | N10 | N06 | 107.6° | 106.8° |
N10 | C09 | H7 | 126.2° | 125.5° |
N08 | C07 | N06 | 107.3° | 108.0° |
N08 | C07 | H6 | 126.3° | 126.0° |
N10 | N06 | C07 | 109.4° | 106.3° |
N10 | N06 | C05 | 125.0° | 126.8° |
C07 | N06 | C05 | 125.6° | 126.8° |
N06 | C07 | H6 | 126.3° | 126.0° |
N06 | C05 | C11 | 119.4° | 120.1° |
N06 | C05 | C04 | 120.1° | 120.0° |
C11 | C05 | C04 | 120.4° | 119.9° |
C05 | C11 | C12 | 119.7° | 119.9° |
C05 | C11 | H8 | 120.1° | 120.0° |
C05 | C04 | C03 | 119.9° | 119.9° |
C05 | C04 | H5 | 120.1° | 120.1° |
C11 | C12 | C02 | 119.8° | 120.1° |
C12 | C11 | H8 | 120.2° | 120.1° |
C11 | C12 | H9 | 120.1° | 119.9° |
C04 | C03 | C02 | 119.6° | 120.1° |
C04 | C03 | H4 | 120.2° | 120.0° |
C03 | C04 | H5 | 120.1° | 120.0° |
C12 | C02 | C03 | 120.5° | 120.1° |
C12 | C02 | C01 | 119.5° | 119.9° |
C02 | C12 | H9 | 120.1° | 120.0° |
C03 | C02 | C01 | 120.0° | 120.0° |
C02 | C03 | H4 | 120.2° | 119.9° |
C02 | C01 | H1 | 109.5° | 109.5° |
C02 | C01 | H2 | 109.5° | 109.5° |
C02 | C01 | H3 | 109.5° | 109.4° |
H1 | C01 | H2 | 109.4° | 109.6° |
H1 | C01 | H3 | 109.5° | 109.5° |
H2 | C01 | H3 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N08 | C09 | N10 | H7 | 180.0° | 179.7° |
N08 | C09 | N10 | N06 | 0.2° | 0.5° |
C09 | N08 | C07 | N06 | 0.1° | 0.0° |
C09 | N08 | C07 | H6 | 179.9° | 179.7° |
N10 | C09 | N08 | C07 | 0.1° | 0.3° |
C09 | N10 | N06 | C07 | 0.1° | 0.5° |
C09 | N10 | N06 | C05 | 179.5° | 179.6° |
N08 | C07 | N06 | N10 | 0.0° | 0.3° |
N08 | C07 | N06 | H6 | 180.0° | 179.7° |
N08 | C07 | N06 | C05 | 179.6° | 179.8° |
C07 | N08 | C09 | H7 | 179.9° | 180.0° |
N10 | N06 | C07 | C05 | 179.6° | 179.9° |
N10 | N06 | C05 | C11 | 131.5° | 0.1° |
N10 | N06 | C05 | C04 | 47.9° | 179.8° |
N10 | N06 | C07 | H6 | 180.0° | 180.0° |
N06 | N10 | C09 | H7 | 179.9° | 179.9° |
C07 | N06 | C05 | C11 | 48.1° | 180.0° |
C07 | N06 | C05 | C04 | 132.5° | 0.3° |
N06 | C05 | C11 | C04 | 179.4° | 179.7° |
N06 | C05 | C11 | C12 | 179.5° | 180.0° |
N06 | C05 | C04 | C03 | 179.6° | 179.7° |
N06 | C05 | C04 | H5 | 0.4° | 0.3° |
C05 | N06 | C07 | H6 | 0.4° | 0.0° |
N06 | C05 | C11 | H8 | 0.6° | 0.3° |
C05 | C11 | C12 | H8 | 180.0° | 179.8° |
C11 | C05 | C04 | C03 | 0.2° | 0.0° |
C05 | C11 | C12 | C02 | 0.1° | 0.5° |
C11 | C05 | C04 | H5 | 179.8° | 180.0° |
C05 | C11 | C12 | H9 | 179.9° | 180.0° |
C04 | C05 | C11 | C12 | 0.1° | 0.2° |
C05 | C04 | C03 | H5 | 180.0° | 180.0° |
C05 | C04 | C03 | C02 | 0.1° | 0.0° |
C05 | C04 | C03 | H4 | 179.8° | 180.0° |
C04 | C05 | C11 | H8 | 179.9° | 180.0° |
C11 | C12 | C02 | H9 | 180.0° | 179.6° |
C11 | C12 | C02 | C03 | 0.2° | 0.5° |
C11 | C12 | C02 | C01 | 179.9° | 179.8° |
C04 | C03 | C02 | C12 | 0.1° | 0.2° |
C04 | C03 | C02 | H4 | 180.0° | 180.0° |
C04 | C03 | C02 | C01 | 179.9° | 180.0° |
C12 | C02 | C03 | C01 | 179.8° | 179.7° |
C12 | C02 | C01 | H1 | 89.9° | 90.3° |
C12 | C02 | C01 | H2 | 150.1° | 29.8° |
C12 | C02 | C01 | H3 | 30.1° | 149.8° |
C12 | C02 | C03 | H4 | 180.0° | 179.8° |
C02 | C12 | C11 | H8 | 179.8° | 179.7° |
C03 | C02 | C01 | H1 | 89.9° | 89.9° |
C03 | C02 | C01 | H2 | 30.1° | 150.0° |
C03 | C02 | C01 | H3 | 150.1° | 30.0° |
C02 | C03 | C04 | H5 | 179.9° | 180.0° |
C03 | C02 | C12 | H9 | 179.8° | 180.0° |
C02 | C01 | H1 | H2 | 120.0° | 120.0° |
C02 | C01 | H1 | H3 | 120.0° | 119.9° |
C02 | C01 | H2 | H3 | 120.0° | 119.9° |
C01 | C02 | C03 | H4 | 0.1° | 0.0° |
C01 | C02 | C12 | H9 | 0.0° | 0.2° |
H1 | C01 | H2 | H3 | 120.0° | 120.0° |
H4 | C03 | C04 | H5 | 0.2° | 0.0° |
H8 | C11 | C12 | H9 | 0.1° | 0.2° |