9VQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C11 | N12 | doub | 1.31Å | 1.33Å | Aromatic |
C11 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
N12 | N08 | sing | 1.40Å | 1.36Å | Aromatic |
C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
C13 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
C14 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
C10 | C09 | doub | 1.35Å | 1.36Å | Aromatic |
N08 | C07 | sing | 1.46Å | 1.46Å | |
N08 | C09 | sing | 1.35Å | 1.34Å | Aromatic |
O01 | C02 | sing | 1.43Å | 1.41Å | |
C07 | C06 | sing | 1.51Å | 1.51Å | |
C06 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
C03 | C02 | sing | 1.51Å | 1.51Å | |
C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
C05 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
C10 | H23 | sing | 1.08Å | 1.08Å | |
C13 | H25 | sing | 1.08Å | 1.08Å | |
O01 | H15 | sing | 0.97Å | 0.95Å | |
C02 | H16 | sing | 1.09Å | 1.10Å | |
C02 | H17 | sing | 1.09Å | 1.10Å | |
C04 | H18 | sing | 1.08Å | 1.08Å | |
C05 | H19 | sing | 1.08Å | 1.08Å | |
C07 | H20 | sing | 1.09Å | 1.10Å | |
C07 | H21 | sing | 1.09Å | 1.10Å | |
C09 | H22 | sing | 1.08Å | 1.08Å | |
C11 | H24 | sing | 1.08Å | 1.08Å | |
C14 | H26 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N12 | C11 | C10 | 111.8° | 108.2° |
C11 | N12 | N08 | 104.2° | 108.2° |
N12 | C11 | H24 | 124.1° | 125.9° |
C11 | C10 | C09 | 104.9° | 107.9° |
C11 | C10 | H23 | 127.5° | 126.0° |
C10 | C11 | H24 | 124.1° | 125.9° |
N12 | N08 | C07 | 120.3° | 126.1° |
N12 | N08 | C09 | 111.8° | 107.9° |
C14 | C13 | C06 | 120.8° | 120.0° |
C13 | C14 | C03 | 121.0° | 120.0° |
C14 | C13 | H25 | 119.6° | 120.0° |
C13 | C14 | H26 | 119.5° | 120.0° |
C13 | C06 | C07 | 121.1° | 120.0° |
C13 | C06 | C05 | 118.1° | 120.0° |
C06 | C13 | H25 | 119.6° | 120.0° |
C14 | C03 | C02 | 121.6° | 120.0° |
C14 | C03 | C04 | 117.9° | 120.0° |
C03 | C14 | H26 | 119.5° | 120.0° |
C10 | C09 | N08 | 107.3° | 107.8° |
C09 | C10 | H23 | 127.6° | 126.1° |
C10 | C09 | H22 | 126.4° | 126.1° |
C07 | N08 | C09 | 127.9° | 126.0° |
N08 | C07 | C06 | 111.2° | 109.4° |
N08 | C07 | H20 | 109.0° | 109.5° |
N08 | C07 | H21 | 109.0° | 109.5° |
N08 | C09 | H22 | 126.3° | 126.1° |
O01 | C02 | C03 | 113.0° | 109.4° |
C02 | O01 | H15 | 109.5° | 114.0° |
O01 | C02 | H16 | 108.6° | 109.5° |
O01 | C02 | H17 | 108.6° | 109.5° |
C07 | C06 | C05 | 120.6° | 120.0° |
C06 | C07 | H20 | 109.0° | 109.5° |
C06 | C07 | H21 | 109.0° | 109.5° |
C06 | C05 | C04 | 121.1° | 120.0° |
C06 | C05 | H19 | 119.4° | 120.0° |
C02 | C03 | C04 | 120.4° | 120.0° |
C03 | C02 | H16 | 108.6° | 109.5° |
C03 | C02 | H17 | 108.6° | 109.5° |
C03 | C04 | C05 | 120.9° | 120.0° |
C03 | C04 | H18 | 119.5° | 120.0° |
C05 | C04 | H18 | 119.6° | 120.0° |
C04 | C05 | H19 | 119.5° | 120.1° |
H16 | C02 | H17 | 109.5° | 109.5° |
H20 | C07 | H21 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N12 | C11 | C10 | H24 | 180.0° | 179.9° |
N12 | C11 | C10 | C09 | 0.0° | 0.1° |
C11 | N12 | N08 | C07 | 179.6° | 180.0° |
C11 | N12 | N08 | C09 | 3.1° | 0.4° |
N12 | C11 | C10 | H23 | 180.0° | 179.8° |
C10 | C11 | N12 | N08 | 1.8° | 0.2° |
C11 | C10 | C09 | H23 | 180.0° | 179.7° |
C11 | C10 | C09 | N08 | 1.9° | 0.3° |
C11 | C10 | C09 | H22 | 178.0° | 179.7° |
N12 | N08 | C09 | C10 | 3.3° | 0.4° |
N12 | N08 | C07 | C09 | 176.8° | 179.6° |
N12 | N08 | C07 | C06 | 73.8° | 55.1° |
N12 | N08 | C07 | H20 | 165.9° | 175.0° |
N12 | N08 | C07 | H21 | 46.4° | 64.9° |
N12 | N08 | C09 | H22 | 176.7° | 179.6° |
N08 | N12 | C11 | H24 | 178.2° | 180.0° |
C14 | C13 | C06 | H25 | 180.0° | 179.7° |
C13 | C14 | C03 | H26 | 180.0° | 180.0° |
C14 | C13 | C06 | C07 | 177.9° | 180.0° |
C14 | C13 | C06 | C05 | 3.3° | 0.1° |
C13 | C14 | C03 | C02 | 177.5° | 180.0° |
C13 | C14 | C03 | C04 | 3.7° | 0.1° |
C06 | C13 | C14 | C03 | 3.7° | 0.1° |
C13 | C06 | C07 | N08 | 103.2° | 90.0° |
C13 | C06 | C07 | C05 | 174.4° | 179.9° |
C13 | C06 | C05 | C04 | 3.2° | 0.1° |
C13 | C06 | C05 | H19 | 176.9° | 179.9° |
C13 | C06 | C07 | H20 | 136.5° | 150.0° |
C13 | C06 | C07 | H21 | 17.0° | 29.9° |
C06 | C13 | C14 | H26 | 176.3° | 180.0° |
C14 | C03 | C02 | O01 | 10.3° | 90.0° |
C14 | C03 | C02 | C04 | 178.8° | 180.0° |
C14 | C03 | C04 | C05 | 3.5° | 0.0° |
C03 | C14 | C13 | H25 | 176.3° | 179.7° |
C14 | C03 | C02 | H16 | 130.8° | 150.0° |
C14 | C03 | C02 | H17 | 110.2° | 30.0° |
C14 | C03 | C04 | H18 | 176.6° | 179.9° |
C10 | C09 | N08 | C07 | 179.7° | 180.0° |
C10 | C09 | N08 | H22 | 180.0° | 180.0° |
C09 | C10 | C11 | H24 | 179.9° | 179.8° |
N08 | C07 | C06 | H20 | 120.3° | 120.0° |
N08 | C07 | C06 | H21 | 120.3° | 120.0° |
N08 | C07 | C06 | C05 | 71.2° | 90.1° |
N08 | C07 | H20 | H21 | 119.2° | 120.1° |
C07 | N08 | C09 | H22 | 0.3° | 0.1° |
C09 | N08 | C07 | C06 | 103.0° | 124.5° |
N08 | C09 | C10 | H23 | 178.1° | 180.0° |
C09 | N08 | C07 | H20 | 17.3° | 4.6° |
C09 | N08 | C07 | H21 | 136.8° | 115.5° |
O01 | C02 | C03 | H16 | 120.5° | 120.0° |
O01 | C02 | C03 | H17 | 120.5° | 120.0° |
O01 | C02 | C03 | C04 | 168.5° | 90.0° |
O01 | C02 | H16 | H17 | 118.4° | 120.0° |
C07 | C06 | C05 | C04 | 177.7° | 180.0° |
C07 | C06 | C13 | H25 | 2.1° | 0.4° |
C07 | C06 | C05 | H19 | 2.3° | 0.0° |
C06 | C07 | H20 | H21 | 119.2° | 120.0° |
C06 | C05 | C04 | C03 | 3.3° | 0.0° |
C06 | C05 | C04 | H19 | 180.0° | 179.9° |
C05 | C06 | C13 | H25 | 176.7° | 179.7° |
C06 | C05 | C04 | H18 | 176.7° | 179.9° |
C05 | C06 | C07 | H20 | 49.1° | 29.9° |
C05 | C06 | C07 | H21 | 168.6° | 150.0° |
C02 | C03 | C04 | C05 | 177.7° | 180.0° |
C03 | C02 | O01 | H15 | 180.0° | 180.0° |
C03 | C02 | H16 | H17 | 118.4° | 120.0° |
C02 | C03 | C04 | H18 | 2.3° | 0.0° |
C02 | C03 | C14 | H26 | 2.5° | 0.0° |
C03 | C04 | C05 | H18 | 180.0° | 180.0° |
C04 | C03 | C02 | H16 | 48.0° | 30.0° |
C04 | C03 | C02 | H17 | 70.9° | 150.0° |
C03 | C04 | C05 | H19 | 176.7° | 179.9° |
C04 | C03 | C14 | H26 | 176.3° | 180.0° |
H23 | C10 | C09 | H22 | 1.9° | 0.0° |
H23 | C10 | C11 | H24 | 0.0° | 0.1° |
H25 | C13 | C14 | H26 | 3.7° | 0.3° |
H15 | O01 | C02 | H16 | 59.5° | 60.0° |
H15 | O01 | C02 | H17 | 59.5° | 60.0° |
H18 | C04 | C05 | H19 | 3.3° | 0.1° |