G68
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.39Å | 1.40Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C08 | C06 | sing | 1.48Å | 1.47Å | |
| C08 | N13 | doub | 1.33Å | 1.36Å | Aromatic |
| C03 | C02 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | N13 | sing | 1.32Å | 1.36Å | Aromatic |
| C12 | C14 | sing | 1.51Å | 1.51Å | |
| C02 | C07 | sing | 1.39Å | 1.40Å | Aromatic |
| C02 | O01 | sing | 1.36Å | 1.36Å | |
| C19 | C14 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C18 | O17 | sing | 1.43Å | 1.40Å | |
| O17 | C16 | sing | 1.43Å | 1.40Å | |
| C10 | H26 | sing | 1.08Å | 1.08Å | |
| C15 | H30 | sing | 1.09Å | 1.10Å | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| O01 | H20 | sing | 0.97Å | 0.95Å | |
| C03 | H21 | sing | 1.08Å | 1.08Å | |
| C04 | H22 | sing | 1.08Å | 1.08Å | |
| C05 | H23 | sing | 1.08Å | 1.08Å | |
| C07 | H24 | sing | 1.08Å | 1.08Å | |
| C09 | H25 | sing | 1.08Å | 1.08Å | |
| C11 | H27 | sing | 1.08Å | 1.08Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H32 | sing | 1.09Å | 1.10Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| C19 | H36 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | C11 | 120.0° | 118.5° |
| C10 | C09 | C08 | 118.3° | 119.0° |
| C09 | C10 | H26 | 120.0° | 120.7° |
| C10 | C09 | H25 | 120.8° | 120.5° |
| C10 | C11 | C12 | 118.5° | 119.3° |
| C11 | C10 | H26 | 120.0° | 120.7° |
| C10 | C11 | H27 | 120.7° | 120.4° |
| C09 | C08 | C06 | 121.2° | 119.7° |
| C09 | C08 | N13 | 122.5° | 120.6° |
| C08 | C09 | H25 | 120.8° | 120.5° |
| C05 | C04 | C03 | 120.7° | 120.2° |
| C04 | C05 | C06 | 120.3° | 120.0° |
| C05 | C04 | H22 | 119.7° | 119.9° |
| C04 | C05 | H23 | 119.9° | 120.0° |
| C04 | C03 | C02 | 118.4° | 120.2° |
| C04 | C03 | H21 | 120.8° | 119.8° |
| C03 | C04 | H22 | 119.7° | 119.9° |
| C05 | C06 | C08 | 119.6° | 120.1° |
| C05 | C06 | C07 | 120.1° | 119.8° |
| C06 | C05 | H23 | 119.9° | 120.0° |
| C11 | C12 | N13 | 122.5° | 120.9° |
| C11 | C12 | C14 | 123.0° | 119.6° |
| C12 | C11 | H27 | 120.8° | 120.3° |
| C06 | C08 | N13 | 116.2° | 119.7° |
| C08 | C06 | C07 | 120.2° | 120.1° |
| C08 | N13 | C12 | 118.1° | 121.6° |
| C03 | C02 | C07 | 122.0° | 120.0° |
| C03 | C02 | O01 | 123.4° | 120.0° |
| C02 | C03 | H21 | 120.8° | 120.0° |
| C06 | C07 | C02 | 118.4° | 119.9° |
| C06 | C07 | H24 | 120.8° | 120.1° |
| N13 | C12 | C14 | 114.4° | 119.5° |
| C12 | C14 | C19 | 113.0° | 109.5° |
| C12 | C14 | C15 | 112.0° | 109.6° |
| C12 | C14 | H28 | 108.0° | 109.6° |
| C07 | C02 | O01 | 114.6° | 120.0° |
| C02 | C07 | H24 | 120.8° | 120.0° |
| C02 | O01 | H20 | 109.5° | 114.0° |
| C14 | C19 | C18 | 109.1° | 109.2° |
| C19 | C14 | C15 | 108.2° | 109.1° |
| C19 | C14 | H28 | 107.8° | 109.6° |
| C14 | C19 | H35 | 109.6° | 109.6° |
| C14 | C19 | H36 | 109.6° | 109.5° |
| C19 | C18 | O17 | 111.2° | 109.4° |
| C19 | C18 | H33 | 109.0° | 109.5° |
| C19 | C18 | H34 | 109.0° | 109.5° |
| C18 | C19 | H35 | 109.5° | 109.5° |
| C18 | C19 | H36 | 109.6° | 109.5° |
| C14 | C15 | C16 | 108.6° | 109.2° |
| C14 | C15 | H30 | 109.7° | 109.5° |
| C14 | C15 | H29 | 109.7° | 109.6° |
| C15 | C14 | H28 | 107.6° | 109.5° |
| C15 | C16 | O17 | 110.8° | 109.4° |
| C16 | C15 | H30 | 109.7° | 109.5° |
| C16 | C15 | H29 | 109.7° | 109.5° |
| C15 | C16 | H32 | 109.1° | 109.5° |
| C15 | C16 | H31 | 109.1° | 109.4° |
| C18 | O17 | C16 | 112.9° | 114.1° |
| O17 | C18 | H33 | 109.0° | 109.4° |
| O17 | C18 | H34 | 109.0° | 109.4° |
| O17 | C16 | H32 | 109.1° | 109.5° |
| O17 | C16 | H31 | 109.1° | 109.5° |
| H30 | C15 | H29 | 109.5° | 109.5° |
| H32 | C16 | H31 | 109.5° | 109.5° |
| H33 | C18 | H34 | 109.5° | 109.5° |
| H35 | C19 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | C11 | H26 | 180.0° | 179.7° |
| C10 | C09 | C08 | H25 | 180.0° | 179.9° |
| C09 | C10 | C11 | C12 | 1.5° | 0.0° |
| C10 | C09 | C08 | C06 | 179.4° | 180.0° |
| C10 | C09 | C08 | N13 | 0.6° | 0.1° |
| C09 | C10 | C11 | H27 | 178.5° | 180.0° |
| C11 | C10 | C09 | C08 | 0.5° | 0.1° |
| C10 | C11 | C12 | H27 | 180.0° | 180.0° |
| C10 | C11 | C12 | N13 | 1.6° | 0.0° |
| C10 | C11 | C12 | C14 | 174.8° | 180.0° |
| C11 | C10 | C09 | H25 | 179.5° | 179.9° |
| C09 | C08 | C06 | C05 | 6.4° | 180.0° |
| C09 | C08 | C06 | N13 | 180.0° | 180.0° |
| C09 | C08 | C06 | C07 | 175.2° | 0.0° |
| C09 | C08 | N13 | C12 | 0.6° | 0.0° |
| C08 | C09 | C10 | H26 | 179.5° | 179.7° |
| C05 | C04 | C03 | H22 | 180.0° | 180.0° |
| C04 | C05 | C06 | H23 | 180.0° | 179.9° |
| C04 | C05 | C06 | C08 | 175.2° | 180.0° |
| C05 | C04 | C03 | C02 | 2.2° | 0.1° |
| C04 | C05 | C06 | C07 | 3.2° | 0.0° |
| C05 | C04 | C03 | H21 | 177.8° | 180.0° |
| C03 | C04 | C05 | C06 | 0.8° | 0.0° |
| C04 | C03 | C02 | H21 | 180.0° | 180.0° |
| C04 | C03 | C02 | C07 | 3.0° | 0.1° |
| C04 | C03 | C02 | O01 | 177.3° | 179.8° |
| C03 | C04 | C05 | H23 | 179.2° | 179.9° |
| C05 | C06 | C08 | C07 | 178.4° | 180.0° |
| C05 | C06 | C08 | N13 | 173.6° | 0.0° |
| C05 | C06 | C07 | C02 | 2.4° | 0.1° |
| C06 | C05 | C04 | H22 | 179.1° | 180.0° |
| C05 | C06 | C07 | H24 | 177.6° | 179.8° |
| C11 | C12 | N13 | C08 | 0.6° | 0.0° |
| C11 | C12 | N13 | C14 | 176.7° | 180.0° |
| C11 | C12 | C14 | C19 | 18.3° | 34.6° |
| C11 | C12 | C14 | C15 | 140.8° | 85.0° |
| C12 | C11 | C10 | H26 | 178.5° | 179.7° |
| C11 | C12 | C14 | H28 | 100.9° | 154.8° |
| C06 | C08 | N13 | C12 | 179.4° | 180.0° |
| C08 | C06 | C07 | C02 | 176.0° | 180.0° |
| C08 | C06 | C05 | H23 | 4.8° | 0.1° |
| C08 | C06 | C07 | H24 | 4.0° | 0.2° |
| C06 | C08 | C09 | H25 | 0.6° | 0.1° |
| N13 | C08 | C06 | C07 | 4.8° | 180.0° |
| C08 | N13 | C12 | C14 | 176.1° | 180.0° |
| N13 | C08 | C09 | H25 | 179.4° | 179.9° |
| C03 | C02 | C07 | C06 | 0.7° | 0.1° |
| C03 | C02 | C07 | O01 | 179.7° | 179.7° |
| C03 | C02 | O01 | H20 | 180.0° | 89.7° |
| C02 | C03 | C04 | H22 | 177.8° | 179.9° |
| C03 | C02 | C07 | H24 | 179.3° | 179.7° |
| C06 | C07 | C02 | H24 | 180.0° | 179.8° |
| C06 | C07 | C02 | O01 | 179.6° | 179.7° |
| C07 | C06 | C05 | H23 | 176.8° | 179.9° |
| N13 | C12 | C14 | C19 | 165.0° | 145.5° |
| N13 | C12 | C14 | C15 | 42.5° | 95.0° |
| N13 | C12 | C11 | H27 | 178.4° | 180.0° |
| N13 | C12 | C14 | H28 | 75.8° | 25.2° |
| C12 | C14 | C19 | C15 | 124.6° | 119.9° |
| C12 | C14 | C19 | H28 | 119.2° | 120.2° |
| C12 | C14 | C19 | C18 | 179.5° | 176.8° |
| C12 | C14 | C15 | H28 | 118.5° | 120.2° |
| C12 | C14 | C15 | C16 | 178.2° | 176.8° |
| C12 | C14 | C15 | H30 | 62.0° | 56.9° |
| C12 | C14 | C15 | H29 | 58.3° | 63.2° |
| C14 | C12 | C11 | H27 | 5.2° | 0.0° |
| C12 | C14 | C19 | H35 | 59.6° | 63.2° |
| C12 | C14 | C19 | H36 | 60.5° | 56.9° |
| C07 | C02 | O01 | H20 | 0.3° | 90.0° |
| C07 | C02 | C03 | H21 | 177.0° | 180.0° |
| O01 | C02 | C03 | H21 | 2.7° | 0.3° |
| O01 | C02 | C07 | H24 | 0.4° | 0.1° |
| C14 | C19 | C18 | H35 | 119.9° | 120.0° |
| C14 | C19 | C18 | H36 | 119.9° | 119.9° |
| C19 | C14 | C15 | H28 | 116.2° | 119.9° |
| C19 | C14 | C15 | C16 | 56.6° | 57.0° |
| C14 | C19 | C18 | O17 | 57.4° | 57.6° |
| C19 | C14 | C15 | H30 | 63.3° | 62.9° |
| C19 | C14 | C15 | H29 | 176.4° | 176.9° |
| C14 | C19 | C18 | H33 | 62.9° | 177.6° |
| C14 | C19 | C18 | H34 | 177.6° | 62.4° |
| C14 | C19 | H35 | H36 | 120.2° | 120.2° |
| C18 | C19 | C14 | C15 | 55.8° | 57.0° |
| C19 | C18 | O17 | H33 | 120.3° | 120.0° |
| C19 | C18 | O17 | H34 | 120.2° | 120.0° |
| C19 | C18 | O17 | C16 | 60.3° | 61.1° |
| C18 | C19 | C14 | H28 | 60.3° | 62.9° |
| C19 | C18 | H33 | H34 | 119.2° | 120.1° |
| C18 | C19 | H35 | H36 | 120.2° | 120.1° |
| C14 | C15 | C16 | H30 | 119.9° | 119.9° |
| C14 | C15 | C16 | H29 | 119.8° | 120.0° |
| C14 | C15 | C16 | O17 | 58.7° | 57.6° |
| C14 | C15 | H30 | H29 | 120.4° | 120.2° |
| C14 | C15 | C16 | H32 | 178.9° | 177.6° |
| C14 | C15 | C16 | H31 | 61.5° | 62.4° |
| C15 | C14 | C19 | H35 | 175.8° | 176.9° |
| C15 | C14 | C19 | H36 | 64.1° | 62.9° |
| C15 | C16 | O17 | C18 | 61.1° | 61.1° |
| C15 | C16 | O17 | H32 | 120.2° | 120.0° |
| C15 | C16 | O17 | H31 | 120.2° | 119.9° |
| C16 | C15 | H30 | H29 | 120.4° | 120.1° |
| C16 | C15 | C14 | H28 | 59.6° | 63.0° |
| C15 | C16 | H32 | H31 | 119.4° | 120.0° |
| C18 | O17 | C16 | H32 | 178.7° | 178.9° |
| C18 | O17 | C16 | H31 | 59.1° | 58.9° |
| O17 | C18 | H33 | H34 | 119.2° | 120.0° |
| O17 | C18 | C19 | H35 | 177.3° | 177.5° |
| O17 | C18 | C19 | H36 | 62.6° | 62.3° |
| O17 | C16 | C15 | H30 | 61.2° | 62.3° |
| O17 | C16 | C15 | H29 | 178.5° | 177.6° |
| O17 | C16 | H32 | H31 | 119.4° | 120.0° |
| C16 | O17 | C18 | H33 | 60.0° | 178.9° |
| C16 | O17 | C18 | H34 | 179.5° | 58.9° |
| H26 | C10 | C09 | H25 | 0.5° | 0.4° |
| H26 | C10 | C11 | H27 | 1.5° | 0.3° |
| H30 | C15 | C14 | H28 | 179.5° | 177.1° |
| H30 | C15 | C16 | H32 | 59.0° | 57.7° |
| H30 | C15 | C16 | H31 | 178.7° | 177.7° |
| H29 | C15 | C14 | H28 | 60.2° | 57.0° |
| H29 | C15 | C16 | H32 | 61.3° | 62.4° |
| H29 | C15 | C16 | H31 | 58.4° | 57.6° |
| H21 | C03 | C04 | H22 | 2.2° | 0.0° |
| H22 | C04 | C05 | H23 | 0.8° | 0.1° |
| H28 | C14 | C19 | H35 | 59.6° | 57.0° |
| H28 | C14 | C19 | H36 | 179.8° | 177.2° |
| H33 | C18 | C19 | H35 | 57.0° | 62.5° |
| H33 | C18 | C19 | H36 | 177.2° | 57.7° |
| H34 | C18 | C19 | H35 | 62.5° | 57.6° |
| H34 | C18 | C19 | H36 | 57.7° | 177.7° |
