G5T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | C02 | doub | 1.39Å | 1.40Å | Aromatic |
| C06 | C08 | sing | 1.48Å | 1.47Å | |
| C06 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | N13 | doub | 1.33Å | 1.36Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.42Å | Aromatic |
| N13 | C12 | sing | 1.32Å | 1.37Å | Aromatic |
| C12 | N14 | sing | 1.39Å | 1.41Å | |
| C02 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | O01 | sing | 1.36Å | 1.36Å | |
| N14 | C19 | sing | 1.47Å | 1.47Å | |
| N14 | C15 | sing | 1.47Å | 1.48Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C18 | O17 | sing | 1.43Å | 1.40Å | |
| O17 | C16 | sing | 1.43Å | 1.40Å | |
| C10 | H26 | sing | 1.08Å | 1.08Å | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | 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 | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | C04 | C03 | 120.9° | 120.2° |
| C04 | C05 | C06 | 120.1° | 120.0° |
| C05 | C04 | H22 | 119.6° | 119.9° |
| C04 | C05 | H23 | 119.9° | 120.0° |
| C04 | C03 | C02 | 118.3° | 120.2° |
| C04 | C03 | H21 | 120.9° | 119.9° |
| C03 | C04 | H22 | 119.5° | 119.9° |
| C05 | C06 | C08 | 120.3° | 120.1° |
| C05 | C06 | C07 | 120.2° | 119.8° |
| C06 | C05 | H23 | 120.0° | 120.0° |
| C10 | C09 | C08 | 118.2° | 119.3° |
| C09 | C10 | C11 | 120.3° | 118.6° |
| C09 | C10 | H26 | 119.8° | 120.7° |
| C10 | C09 | H25 | 120.9° | 120.4° |
| C09 | C08 | C06 | 122.1° | 119.7° |
| C09 | C08 | N13 | 123.5° | 120.6° |
| C08 | C09 | H25 | 120.9° | 120.4° |
| C10 | C11 | C12 | 118.2° | 119.3° |
| C11 | C10 | H26 | 119.9° | 120.7° |
| C10 | C11 | H27 | 120.9° | 120.3° |
| C03 | C02 | C07 | 121.8° | 120.0° |
| C03 | C02 | O01 | 115.5° | 120.0° |
| C02 | C03 | H21 | 120.9° | 119.9° |
| C08 | C06 | C07 | 119.5° | 120.1° |
| C06 | C08 | N13 | 114.5° | 119.7° |
| C06 | C07 | C02 | 118.7° | 119.8° |
| C06 | C07 | H24 | 120.6° | 120.1° |
| C08 | N13 | C12 | 117.2° | 121.6° |
| C11 | C12 | N13 | 122.5° | 120.7° |
| C11 | C12 | N14 | 121.8° | 119.6° |
| C12 | C11 | H27 | 120.9° | 120.4° |
| N13 | C12 | N14 | 115.5° | 119.7° |
| C12 | N14 | C19 | 118.6° | 111.0° |
| C12 | N14 | C15 | 119.0° | 111.0° |
| C07 | C02 | O01 | 122.7° | 120.0° |
| C02 | C07 | H24 | 120.7° | 120.1° |
| C02 | O01 | H20 | 109.5° | 114.0° |
| C19 | N14 | C15 | 113.1° | 110.8° |
| N14 | C19 | C18 | 108.2° | 109.2° |
| N14 | C19 | H34 | 109.8° | 109.5° |
| N14 | C19 | H35 | 109.8° | 109.5° |
| N14 | C15 | C16 | 107.7° | 109.2° |
| N14 | C15 | H29 | 109.9° | 109.5° |
| N14 | C15 | H28 | 109.9° | 109.6° |
| C19 | C18 | O17 | 110.5° | 109.3° |
| C19 | C18 | H32 | 109.2° | 109.5° |
| C19 | C18 | H33 | 109.2° | 109.5° |
| C18 | C19 | H34 | 109.8° | 109.6° |
| C18 | C19 | H35 | 109.8° | 109.5° |
| C15 | C16 | O17 | 110.1° | 109.2° |
| C16 | C15 | H29 | 109.9° | 109.5° |
| C16 | C15 | H28 | 109.9° | 109.5° |
| C15 | C16 | H31 | 109.3° | 109.5° |
| C15 | C16 | H30 | 109.3° | 109.5° |
| C18 | O17 | C16 | 112.4° | 113.7° |
| O17 | C18 | H32 | 109.2° | 109.5° |
| O17 | C18 | H33 | 109.2° | 109.5° |
| O17 | C16 | H31 | 109.3° | 109.5° |
| O17 | C16 | H30 | 109.3° | 109.5° |
| H29 | C15 | H28 | 109.5° | 109.5° |
| H31 | C16 | H30 | 109.4° | 109.6° |
| H32 | C18 | H33 | 109.4° | 109.5° |
| H34 | C19 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | C04 | C03 | H22 | 180.0° | 180.0° |
| C04 | C05 | C06 | H23 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 2.6° | 0.0° |
| C04 | C05 | C06 | C08 | 178.1° | 180.0° |
| C04 | C05 | C06 | C07 | 0.1° | 0.0° |
| C05 | C04 | C03 | H21 | 177.4° | 180.0° |
| C03 | C04 | C05 | C06 | 2.7° | 0.0° |
| C04 | C03 | C02 | H21 | 180.0° | 180.0° |
| C04 | C03 | C02 | C07 | 0.1° | 0.0° |
| C04 | C03 | C02 | O01 | 179.7° | 179.7° |
| C03 | C04 | C05 | H23 | 177.4° | 179.9° |
| C05 | C06 | C08 | C09 | 29.0° | 5.8° |
| C05 | C06 | C08 | C07 | 178.1° | 179.9° |
| C05 | C06 | C08 | N13 | 151.1° | 175.0° |
| C05 | C06 | C07 | C02 | 2.4° | 0.0° |
| C06 | C05 | C04 | H22 | 177.3° | 180.0° |
| C05 | C06 | C07 | H24 | 177.6° | 179.7° |
| C10 | C09 | C08 | H25 | 180.0° | 179.9° |
| C09 | C10 | C11 | H26 | 180.0° | 179.7° |
| C10 | C09 | C08 | C06 | 179.4° | 179.7° |
| C10 | C09 | C08 | N13 | 0.6° | 0.5° |
| C09 | C10 | C11 | C12 | 1.1° | 0.3° |
| C09 | C10 | C11 | H27 | 179.0° | 179.7° |
| C08 | C09 | C10 | C11 | 1.3° | 0.0° |
| C09 | C08 | C06 | N13 | 179.9° | 179.2° |
| C09 | C08 | C06 | C07 | 153.0° | 174.3° |
| C09 | C08 | N13 | C12 | 2.4° | 0.8° |
| C08 | C09 | C10 | H26 | 178.7° | 179.7° |
| C10 | C11 | C12 | H27 | 180.0° | 180.0° |
| C10 | C11 | C12 | N13 | 4.3° | 0.0° |
| C10 | C11 | C12 | N14 | 170.6° | 180.0° |
| C11 | C10 | C09 | H25 | 178.7° | 180.0° |
| C03 | C02 | C07 | C06 | 2.4° | 0.0° |
| C03 | C02 | C07 | O01 | 179.6° | 179.7° |
| C03 | C02 | O01 | H20 | 180.0° | 89.7° |
| C02 | C03 | C04 | H22 | 177.4° | 180.0° |
| C03 | C02 | C07 | H24 | 177.6° | 179.7° |
| C06 | C08 | N13 | C12 | 177.6° | 180.0° |
| C08 | C06 | C07 | C02 | 175.7° | 179.9° |
| C08 | C06 | C05 | H23 | 1.9° | 0.0° |
| C08 | C06 | C07 | H24 | 4.3° | 0.3° |
| C06 | C08 | C09 | H25 | 0.6° | 0.2° |
| C07 | C06 | C08 | N13 | 27.0° | 4.9° |
| C06 | C07 | C02 | H24 | 180.0° | 179.8° |
| C06 | C07 | C02 | O01 | 177.2° | 179.7° |
| C07 | C06 | C05 | H23 | 179.9° | 179.9° |
| C08 | N13 | C12 | C11 | 4.9° | 0.5° |
| C08 | N13 | C12 | N14 | 170.3° | 179.5° |
| N13 | C08 | C09 | H25 | 179.4° | 179.4° |
| C11 | C12 | N13 | N14 | 175.2° | 180.0° |
| C11 | C12 | N14 | C19 | 13.3° | 180.0° |
| C11 | C12 | N14 | C15 | 157.8° | 56.4° |
| C12 | C11 | C10 | H26 | 178.9° | 179.9° |
| N13 | C12 | N14 | C19 | 171.4° | 0.0° |
| N13 | C12 | N14 | C15 | 26.9° | 123.6° |
| N13 | C12 | C11 | H27 | 175.7° | 180.0° |
| C12 | N14 | C19 | C15 | 146.5° | 123.8° |
| C12 | N14 | C19 | C18 | 159.0° | 177.6° |
| C12 | N14 | C15 | C16 | 158.1° | 177.6° |
| C12 | N14 | C15 | H29 | 82.2° | 62.5° |
| C12 | N14 | C15 | H28 | 38.4° | 57.6° |
| N14 | C12 | C11 | H27 | 9.4° | 0.0° |
| C12 | N14 | C19 | H34 | 39.2° | 57.6° |
| C12 | N14 | C19 | H35 | 81.2° | 62.4° |
| C07 | C02 | O01 | H20 | 0.4° | 90.0° |
| C07 | C02 | C03 | H21 | 179.9° | 180.0° |
| O01 | C02 | C03 | H21 | 0.3° | 0.3° |
| O01 | C02 | C07 | H24 | 2.8° | 0.1° |
| N14 | C19 | C18 | H34 | 119.8° | 119.9° |
| N14 | C19 | C18 | H35 | 119.8° | 119.9° |
| C19 | N14 | C15 | C16 | 55.5° | 58.6° |
| N14 | C19 | C18 | O17 | 55.4° | 56.9° |
| C19 | N14 | C15 | H29 | 64.1° | 61.3° |
| C19 | N14 | C15 | H28 | 175.3° | 178.6° |
| N14 | C19 | C18 | H32 | 64.8° | 176.8° |
| N14 | C19 | C18 | H33 | 175.6° | 63.1° |
| N14 | C19 | H34 | H35 | 120.6° | 120.1° |
| C15 | N14 | C19 | C18 | 54.5° | 58.6° |
| N14 | C15 | C16 | H29 | 119.7° | 119.9° |
| N14 | C15 | C16 | H28 | 119.7° | 120.0° |
| N14 | C15 | C16 | O17 | 57.3° | 56.8° |
| N14 | C15 | H29 | H28 | 120.9° | 120.2° |
| N14 | C15 | C16 | H31 | 177.4° | 176.7° |
| N14 | C15 | C16 | H30 | 62.8° | 63.1° |
| C15 | N14 | C19 | H34 | 174.3° | 178.6° |
| C15 | N14 | C19 | H35 | 65.2° | 61.3° |
| C19 | C18 | O17 | H32 | 120.2° | 119.9° |
| C19 | C18 | O17 | H33 | 120.2° | 120.0° |
| C19 | C18 | O17 | C16 | 61.5° | 58.7° |
| C19 | C18 | H32 | H33 | 119.5° | 120.1° |
| C18 | C19 | H34 | H35 | 120.6° | 120.2° |
| C15 | C16 | O17 | C18 | 62.6° | 58.7° |
| C15 | C16 | O17 | H31 | 120.1° | 119.9° |
| C15 | C16 | O17 | H30 | 120.1° | 119.9° |
| C16 | C15 | H29 | H28 | 120.8° | 120.1° |
| C15 | C16 | H31 | H30 | 119.7° | 120.1° |
| C18 | O17 | C16 | H31 | 177.3° | 178.6° |
| C18 | O17 | C16 | H30 | 57.5° | 61.2° |
| O17 | C18 | H32 | H33 | 119.5° | 120.1° |
| O17 | C18 | C19 | H34 | 175.2° | 176.8° |
| O17 | C18 | C19 | H35 | 64.4° | 63.1° |
| O17 | C16 | C15 | H29 | 62.4° | 63.1° |
| O17 | C16 | C15 | H28 | 177.0° | 176.8° |
| O17 | C16 | H31 | H30 | 119.7° | 120.2° |
| C16 | O17 | C18 | H32 | 58.7° | 178.7° |
| C16 | O17 | C18 | H33 | 178.3° | 61.3° |
| H26 | C10 | C09 | H25 | 1.3° | 0.4° |
| H26 | C10 | C11 | H27 | 1.0° | 0.0° |
| H29 | C15 | C16 | H31 | 57.7° | 56.8° |
| H29 | C15 | C16 | H30 | 177.5° | 177.0° |
| H28 | C15 | C16 | H31 | 62.9° | 63.3° |
| H28 | C15 | C16 | H30 | 56.9° | 56.9° |
| H21 | C03 | C04 | H22 | 2.6° | 0.0° |
| H22 | C04 | C05 | H23 | 2.6° | 0.0° |
| H32 | C18 | C19 | H34 | 55.0° | 63.2° |
| H32 | C18 | C19 | H35 | 175.5° | 56.9° |
| H33 | C18 | C19 | H34 | 64.6° | 56.8° |
| H33 | C18 | C19 | H35 | 55.8° | 176.9° |
