6HZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.48Å | 1.49Å | |
| C7 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.49Å | |
| C19 | C20 | doub | 1.30Å | 1.30Å | |
| C18 | N17 | sing | 1.47Å | 1.47Å | |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.49Å | |
| C10 | C15 | sing | 1.48Å | 1.50Å | |
| N17 | C15 | sing | 1.35Å | 1.34Å | |
| N17 | C21 | sing | 1.47Å | 1.47Å | |
| C15 | O16 | doub | 1.22Å | 1.23Å | |
| C1 | H24 | sing | 1.09Å | 1.10Å | |
| C1 | H23 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H25 | sing | 1.08Å | 1.08Å | |
| C5 | H27 | sing | 1.08Å | 1.08Å | |
| C6 | H28 | sing | 1.08Å | 1.08Å | |
| C11 | H30 | sing | 1.08Å | 1.08Å | |
| C12 | H31 | sing | 1.08Å | 1.08Å | |
| C14 | H33 | sing | 1.09Å | 1.10Å | |
| C14 | H34 | sing | 1.09Å | 1.10Å | |
| C14 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H37 | sing | 1.08Å | 1.08Å | |
| C21 | H40 | sing | 1.09Å | 1.10Å | |
| C21 | H39 | sing | 1.09Å | 1.10Å | |
| C4 | H26 | sing | 1.08Å | 1.08Å | |
| C9 | H29 | sing | 1.08Å | 1.08Å | |
| C18 | H35 | sing | 1.09Å | 1.10Å | |
| C18 | H36 | sing | 1.09Å | 1.10Å | |
| C20 | H38 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | C4 | 120.4° | 120.1° |
| C5 | C6 | C7 | 120.7° | 119.9° |
| C6 | C5 | H27 | 119.8° | 119.9° |
| C5 | C6 | H28 | 119.6° | 120.1° |
| C5 | C4 | C3 | 120.1° | 120.2° |
| C4 | C5 | H27 | 119.8° | 120.0° |
| C5 | C4 | H26 | 119.9° | 119.8° |
| C6 | C7 | C8 | 117.0° | 120.1° |
| C6 | C7 | C2 | 118.8° | 119.8° |
| C7 | C6 | H28 | 119.7° | 120.0° |
| C4 | C3 | C2 | 120.9° | 120.1° |
| C4 | C3 | H25 | 119.6° | 119.9° |
| C3 | C4 | H26 | 120.0° | 120.0° |
| C14 | C13 | C8 | 121.8° | 119.9° |
| C14 | C13 | C12 | 119.1° | 119.9° |
| C13 | C14 | H33 | 109.5° | 109.5° |
| C13 | C14 | H34 | 109.5° | 109.5° |
| C13 | C14 | H32 | 109.4° | 109.5° |
| C8 | C7 | C2 | 124.1° | 120.1° |
| C7 | C8 | C13 | 123.7° | 120.0° |
| C7 | C8 | C9 | 117.2° | 120.1° |
| C7 | C2 | C3 | 119.1° | 119.8° |
| C7 | C2 | C1 | 122.5° | 120.1° |
| C3 | C2 | C1 | 118.4° | 120.1° |
| C2 | C3 | H25 | 119.6° | 119.9° |
| C8 | C13 | C12 | 119.1° | 120.2° |
| C13 | C8 | C9 | 119.0° | 119.9° |
| C13 | C12 | C11 | 120.9° | 120.3° |
| C13 | C12 | H31 | 119.5° | 119.8° |
| C18 | C19 | C20 | 112.4° | 110.2° |
| C19 | C18 | N17 | 101.7° | 107.1° |
| C18 | C19 | H37 | 123.8° | 124.9° |
| C19 | C18 | H35 | 111.4° | 109.9° |
| C19 | C18 | H36 | 111.4° | 109.9° |
| C19 | C20 | C21 | 112.0° | 110.1° |
| C20 | C19 | H37 | 123.8° | 124.9° |
| C19 | C20 | H38 | 124.0° | 125.0° |
| C18 | N17 | C15 | 127.7° | 127.2° |
| C18 | N17 | C21 | 111.3° | 105.5° |
| N17 | C18 | H35 | 111.4° | 109.8° |
| N17 | C18 | H36 | 111.4° | 109.9° |
| C8 | C9 | C10 | 121.6° | 119.7° |
| C8 | C9 | H29 | 119.2° | 120.1° |
| C2 | C1 | H24 | 109.5° | 109.5° |
| C2 | C1 | H23 | 109.5° | 109.4° |
| C2 | C1 | H22 | 109.5° | 109.5° |
| C12 | C11 | C10 | 120.4° | 120.1° |
| C12 | C11 | H30 | 119.8° | 119.9° |
| C11 | C12 | H31 | 119.6° | 119.9° |
| C9 | C10 | C11 | 118.9° | 119.8° |
| C9 | C10 | C15 | 121.0° | 120.1° |
| C10 | C9 | H29 | 119.2° | 120.2° |
| C11 | C10 | C15 | 120.1° | 120.1° |
| C10 | C11 | H30 | 119.8° | 119.9° |
| C20 | C21 | N17 | 101.7° | 107.1° |
| C20 | C21 | H40 | 111.4° | 109.9° |
| C20 | C21 | H39 | 111.3° | 110.1° |
| C21 | C20 | H38 | 124.0° | 124.9° |
| C10 | C15 | N17 | 119.7° | 120.0° |
| C10 | C15 | O16 | 119.0° | 120.0° |
| C15 | N17 | C21 | 120.6° | 127.3° |
| N17 | C15 | O16 | 121.3° | 119.9° |
| N17 | C21 | H40 | 111.3° | 109.9° |
| N17 | C21 | H39 | 111.4° | 109.9° |
| H24 | C1 | H23 | 109.5° | 109.5° |
| H24 | C1 | H22 | 109.5° | 109.5° |
| H23 | C1 | H22 | 109.5° | 109.5° |
| H33 | C14 | H34 | 109.5° | 109.4° |
| H33 | C14 | H32 | 109.5° | 109.5° |
| H34 | C14 | H32 | 109.5° | 109.4° |
| H40 | C21 | H39 | 109.5° | 109.9° |
| H35 | C18 | H36 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | C4 | H27 | 180.0° | 179.7° |
| C5 | C6 | C7 | H28 | 180.0° | 179.7° |
| C6 | C5 | C4 | C3 | 0.0° | 0.3° |
| C5 | C6 | C7 | C8 | 179.3° | 180.0° |
| C5 | C6 | C7 | C2 | 0.7° | 0.0° |
| C6 | C5 | C4 | H26 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.5° | 0.3° |
| C5 | C4 | C3 | H26 | 180.0° | 179.8° |
| C5 | C4 | C3 | C2 | 0.3° | 0.0° |
| C5 | C4 | C3 | H25 | 179.7° | 180.0° |
| C4 | C5 | C6 | H28 | 179.5° | 180.0° |
| C6 | C7 | C8 | C2 | 178.5° | 180.0° |
| C6 | C7 | C2 | C3 | 0.4° | 0.3° |
| C6 | C7 | C8 | C13 | 99.0° | 111.6° |
| C6 | C7 | C8 | C9 | 79.2° | 68.1° |
| C6 | C7 | C2 | C1 | 179.6° | 180.0° |
| C7 | C6 | C5 | H27 | 179.5° | 180.0° |
| C4 | C3 | C2 | C7 | 0.1° | 0.3° |
| C4 | C3 | C2 | H25 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 179.9° | 180.0° |
| C3 | C4 | C5 | H27 | 180.0° | 180.0° |
| C14 | C13 | C8 | C7 | 1.7° | 0.0° |
| C14 | C13 | C8 | C12 | 178.9° | 180.0° |
| C14 | C13 | C8 | C9 | 179.9° | 179.8° |
| C14 | C13 | C12 | C11 | 179.7° | 180.0° |
| C14 | C13 | C12 | H31 | 0.3° | 0.2° |
| C13 | C14 | H33 | H34 | 120.0° | 120.0° |
| C13 | C14 | H33 | H32 | 120.0° | 120.0° |
| C13 | C14 | H34 | H32 | 120.0° | 120.0° |
| C8 | C7 | C2 | C3 | 178.9° | 179.7° |
| C7 | C8 | C13 | C9 | 178.2° | 179.8° |
| C7 | C8 | C13 | C12 | 179.5° | 180.0° |
| C8 | C7 | C2 | C1 | 1.2° | 0.0° |
| C7 | C8 | C9 | C10 | 178.7° | 180.0° |
| C8 | C7 | C6 | H28 | 0.8° | 0.3° |
| C7 | C8 | C9 | H29 | 1.3° | 0.1° |
| C7 | C2 | C3 | C1 | 180.0° | 179.7° |
| C2 | C7 | C8 | C13 | 82.5° | 68.4° |
| C2 | C7 | C8 | C9 | 99.3° | 111.9° |
| C7 | C2 | C1 | H24 | 90.0° | 95.6° |
| C7 | C2 | C1 | H23 | 150.0° | 24.4° |
| C7 | C2 | C1 | H22 | 30.0° | 144.5° |
| C7 | C2 | C3 | H25 | 179.9° | 179.8° |
| C2 | C7 | C6 | H28 | 179.3° | 179.7° |
| C3 | C2 | C1 | H24 | 90.0° | 84.7° |
| C3 | C2 | C1 | H23 | 30.0° | 155.3° |
| C3 | C2 | C1 | H22 | 150.0° | 35.3° |
| C2 | C3 | C4 | H26 | 179.7° | 179.7° |
| C8 | C13 | C12 | C11 | 0.8° | 0.0° |
| C13 | C8 | C9 | C10 | 0.4° | 0.2° |
| C8 | C13 | C12 | H31 | 179.2° | 179.8° |
| C8 | C13 | C14 | H33 | 90.6° | 85.4° |
| C8 | C13 | C14 | H34 | 149.4° | 154.6° |
| C8 | C13 | C14 | H32 | 29.4° | 34.6° |
| C13 | C8 | C9 | H29 | 179.6° | 179.7° |
| C12 | C13 | C8 | C9 | 1.3° | 0.2° |
| C13 | C12 | C11 | H31 | 180.0° | 179.8° |
| C13 | C12 | C11 | C10 | 0.6° | 0.2° |
| C13 | C12 | C11 | H30 | 179.4° | 180.0° |
| C12 | C13 | C14 | H33 | 90.5° | 94.6° |
| C12 | C13 | C14 | H34 | 29.5° | 25.4° |
| C12 | C13 | C14 | H32 | 149.5° | 145.4° |
| C18 | C19 | C20 | H37 | 180.0° | 179.8° |
| C19 | C18 | N17 | H35 | 118.7° | 119.4° |
| C19 | C18 | N17 | H36 | 118.7° | 119.4° |
| C18 | C19 | C20 | C21 | 2.5° | 0.0° |
| C19 | C18 | N17 | C15 | 178.8° | 179.9° |
| C19 | C18 | N17 | C21 | 8.2° | 0.0° |
| C19 | C18 | H35 | H36 | 123.6° | 121.2° |
| C18 | C19 | C20 | H38 | 177.5° | 180.0° |
| C20 | C19 | C18 | N17 | 3.4° | 0.0° |
| C19 | C20 | C21 | H38 | 180.0° | 179.9° |
| C19 | C20 | C21 | N17 | 7.3° | 0.1° |
| C19 | C20 | C21 | H40 | 126.0° | 119.4° |
| C19 | C20 | C21 | H39 | 111.5° | 119.4° |
| C20 | C19 | C18 | H35 | 115.3° | 119.3° |
| C20 | C19 | C18 | H36 | 122.2° | 119.4° |
| C18 | N17 | C21 | C20 | 9.4° | 0.1° |
| C18 | N17 | C15 | C10 | 3.7° | 5.4° |
| C18 | N17 | C15 | C21 | 172.5° | 179.9° |
| C18 | N17 | C15 | O16 | 176.3° | 174.6° |
| N17 | C18 | C19 | H37 | 176.6° | 179.8° |
| C18 | N17 | C21 | H40 | 128.2° | 119.4° |
| C18 | N17 | C21 | H39 | 109.3° | 119.5° |
| N17 | C18 | H35 | H36 | 123.6° | 121.1° |
| C8 | C9 | C10 | H29 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 1.0° | 0.0° |
| C8 | C9 | C10 | C15 | 179.2° | 180.0° |
| C2 | C1 | H24 | H23 | 120.0° | 120.0° |
| C2 | C1 | H24 | H22 | 120.0° | 120.0° |
| C2 | C1 | H23 | H22 | 120.0° | 120.0° |
| C1 | C2 | C3 | H25 | 0.1° | 0.0° |
| C12 | C11 | C10 | C9 | 1.5° | 0.3° |
| C12 | C11 | C10 | H30 | 180.0° | 179.8° |
| C12 | C11 | C10 | C15 | 179.7° | 179.7° |
| C9 | C10 | C11 | C15 | 178.2° | 180.0° |
| C9 | C10 | C15 | N17 | 56.0° | 172.4° |
| C9 | C10 | C15 | O16 | 124.0° | 7.6° |
| C9 | C10 | C11 | H30 | 178.5° | 180.0° |
| C11 | C10 | C15 | N17 | 125.8° | 7.6° |
| C11 | C10 | C15 | O16 | 54.2° | 172.4° |
| C10 | C11 | C12 | H31 | 179.4° | 180.0° |
| C11 | C10 | C9 | H29 | 179.0° | 179.9° |
| C20 | C21 | N17 | C15 | 176.9° | 179.9° |
| C20 | C21 | N17 | H40 | 118.7° | 119.4° |
| C20 | C21 | N17 | H39 | 118.7° | 119.6° |
| C21 | C20 | C19 | H37 | 177.5° | 179.8° |
| C20 | C21 | H40 | H39 | 123.6° | 121.3° |
| C10 | C15 | N17 | O16 | 180.0° | 180.0° |
| C10 | C15 | N17 | C21 | 168.8° | 174.5° |
| C15 | C10 | C11 | H30 | 0.3° | 0.0° |
| C15 | C10 | C9 | H29 | 0.8° | 0.1° |
| C15 | N17 | C21 | H40 | 58.2° | 60.7° |
| C15 | N17 | C21 | H39 | 64.3° | 60.3° |
| C15 | N17 | C18 | H35 | 62.5° | 60.7° |
| C15 | N17 | C18 | H36 | 60.0° | 60.5° |
| C21 | N17 | C15 | O16 | 11.2° | 5.5° |
| N17 | C21 | H40 | H39 | 123.6° | 121.0° |
| C21 | N17 | C18 | H35 | 110.6° | 119.4° |
| C21 | N17 | C18 | H36 | 126.9° | 119.4° |
| N17 | C21 | C20 | H38 | 172.8° | 180.0° |
| H24 | C1 | H23 | H22 | 120.0° | 120.0° |
| H25 | C3 | C4 | H26 | 0.3° | 0.2° |
| H27 | C5 | C6 | H28 | 0.5° | 0.3° |
| H27 | C5 | C4 | H26 | 0.0° | 0.3° |
| H30 | C11 | C12 | H31 | 0.5° | 0.2° |
| H33 | C14 | H34 | H32 | 120.0° | 119.9° |
| H37 | C19 | C18 | H35 | 64.7° | 60.9° |
| H37 | C19 | C18 | H36 | 57.8° | 60.4° |
| H37 | C19 | C20 | H38 | 2.5° | 0.2° |
| H40 | C21 | C20 | H38 | 54.0° | 60.7° |
| H39 | C21 | C20 | H38 | 68.5° | 60.5° |
