7GL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C16 | sing | 1.51Å | 1.51Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | N10 | sing | 1.40Å | 1.42Å | |
| N22 | C11 | sing | 1.35Å | 1.33Å | |
| N10 | C4 | sing | 1.39Å | 1.39Å | |
| N3 | C4 | doub | 1.31Å | 1.30Å | Aromatic |
| N3 | N2 | sing | 1.40Å | 1.38Å | Aromatic |
| C11 | O23 | doub | 1.22Å | 1.24Å | |
| C11 | C9 | sing | 1.46Å | 1.48Å | |
| C4 | C5 | sing | 1.40Å | 1.42Å | Aromatic |
| N2 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| N2 | C1 | sing | 1.36Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C1 | C6 | sing | 1.42Å | 1.43Å | Aromatic |
| C1 | N7 | doub | 1.33Å | 1.33Å | Aromatic |
| C8 | N7 | sing | 1.32Å | 1.37Å | Aromatic |
| C6 | N20 | sing | 1.39Å | 1.35Å | |
| N20 | C21 | sing | 1.46Å | 1.45Å | |
| C13 | H27 | sing | 1.08Å | 1.08Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.08Å | 1.08Å | |
| C15 | H28 | sing | 1.08Å | 1.08Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| C21 | H39 | sing | 1.09Å | 1.10Å | |
| C5 | H24 | sing | 1.08Å | 1.08Å | |
| C8 | H25 | sing | 1.08Å | 1.08Å | |
| N10 | H26 | sing | 0.97Å | 1.00Å | |
| N20 | H36 | sing | 0.97Å | 1.00Å | |
| N22 | H41 | sing | 0.97Å | 1.00Å | |
| N22 | H40 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C14 | C15 | 120.8° | 120.0° |
| C19 | C14 | C13 | 120.8° | 120.0° |
| C14 | C19 | H33 | 109.5° | 109.4° |
| C14 | C19 | H34 | 109.5° | 109.5° |
| C14 | C19 | H35 | 109.5° | 109.5° |
| C15 | C14 | C13 | 118.4° | 120.0° |
| C14 | C15 | C16 | 122.3° | 120.2° |
| C14 | C15 | H28 | 118.9° | 119.9° |
| C14 | C13 | C12 | 120.7° | 120.0° |
| C14 | C13 | H27 | 119.7° | 120.0° |
| C15 | C16 | C18 | 120.7° | 120.0° |
| C15 | C16 | C17 | 118.2° | 120.1° |
| C16 | C15 | H28 | 118.9° | 119.9° |
| C13 | C12 | C17 | 119.4° | 119.9° |
| C13 | C12 | N10 | 117.4° | 120.1° |
| C12 | C13 | H27 | 119.6° | 120.0° |
| C18 | C16 | C17 | 120.9° | 119.9° |
| C16 | C18 | H31 | 109.5° | 109.5° |
| C16 | C18 | H32 | 109.4° | 109.5° |
| C16 | C18 | H30 | 109.5° | 109.5° |
| C16 | C17 | C12 | 120.9° | 119.9° |
| C16 | C17 | H29 | 119.5° | 120.1° |
| C17 | C12 | N10 | 123.2° | 120.0° |
| C12 | C17 | H29 | 119.6° | 120.1° |
| C12 | N10 | C4 | 132.4° | 120.0° |
| C12 | N10 | H26 | 113.8° | 120.0° |
| N22 | C11 | O23 | 121.7° | 120.0° |
| N22 | C11 | C9 | 120.7° | 120.0° |
| C11 | N22 | H41 | 120.0° | 120.0° |
| C11 | N22 | H40 | 120.0° | 120.0° |
| N10 | C4 | N3 | 114.0° | 119.6° |
| N10 | C4 | C5 | 120.9° | 119.7° |
| C4 | N10 | H26 | 113.8° | 120.0° |
| C4 | N3 | N2 | 114.3° | 120.9° |
| N3 | C4 | C5 | 125.1° | 120.7° |
| N3 | N2 | C9 | 126.1° | 132.6° |
| N3 | N2 | C1 | 125.8° | 120.4° |
| O23 | C11 | C9 | 117.6° | 120.0° |
| C11 | C9 | N2 | 129.2° | 126.8° |
| C11 | C9 | C8 | 127.5° | 126.7° |
| C4 | C5 | C6 | 120.8° | 119.8° |
| C4 | C5 | H24 | 119.6° | 120.1° |
| C9 | N2 | C1 | 108.1° | 107.0° |
| N2 | C9 | C8 | 103.3° | 106.5° |
| N2 | C1 | C6 | 117.7° | 119.2° |
| N2 | C1 | N7 | 110.7° | 108.7° |
| C9 | C8 | N7 | 112.9° | 108.1° |
| C9 | C8 | H25 | 123.6° | 126.0° |
| C5 | C6 | C1 | 116.3° | 119.0° |
| C5 | C6 | N20 | 124.8° | 120.5° |
| C6 | C5 | H24 | 119.6° | 120.1° |
| C6 | C1 | N7 | 131.6° | 132.1° |
| C1 | C6 | N20 | 118.9° | 120.5° |
| C1 | N7 | C8 | 105.1° | 109.7° |
| N7 | C8 | H25 | 123.5° | 125.9° |
| C6 | N20 | C21 | 123.0° | 120.0° |
| C6 | N20 | H36 | 106.0° | 120.0° |
| N20 | C21 | H37 | 109.5° | 109.5° |
| N20 | C21 | H38 | 109.5° | 109.5° |
| N20 | C21 | H39 | 109.5° | 109.5° |
| C21 | N20 | H36 | 105.9° | 120.0° |
| H31 | C18 | H32 | 109.5° | 109.5° |
| H31 | C18 | H30 | 109.4° | 109.4° |
| H32 | C18 | H30 | 109.5° | 109.5° |
| H33 | C19 | H34 | 109.5° | 109.5° |
| H33 | C19 | H35 | 109.4° | 109.5° |
| H34 | C19 | H35 | 109.5° | 109.5° |
| H37 | C21 | H38 | 109.4° | 109.5° |
| H37 | C21 | H39 | 109.5° | 109.4° |
| H38 | C21 | H39 | 109.5° | 109.5° |
| H41 | N22 | H40 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C14 | C15 | C13 | 179.2° | 180.0° |
| C19 | C14 | C15 | C16 | 179.6° | 179.5° |
| C19 | C14 | C13 | C12 | 179.5° | 180.0° |
| C19 | C14 | C13 | H27 | 0.5° | 0.3° |
| C19 | C14 | C15 | H28 | 0.4° | 0.2° |
| C14 | C19 | H33 | H34 | 120.0° | 120.0° |
| C14 | C19 | H33 | H35 | 120.0° | 120.0° |
| C14 | C19 | H34 | H35 | 120.0° | 120.0° |
| C14 | C15 | C16 | H28 | 180.0° | 179.7° |
| C15 | C14 | C13 | C12 | 1.3° | 0.0° |
| C14 | C15 | C16 | C18 | 174.3° | 179.7° |
| C14 | C15 | C16 | C17 | 1.5° | 0.8° |
| C15 | C14 | C13 | H27 | 178.7° | 179.7° |
| C15 | C14 | C19 | H33 | 90.4° | 90.0° |
| C15 | C14 | C19 | H34 | 149.6° | 150.0° |
| C15 | C14 | C19 | H35 | 29.6° | 30.0° |
| C13 | C14 | C15 | C16 | 0.4° | 0.6° |
| C14 | C13 | C12 | H27 | 180.0° | 179.7° |
| C14 | C13 | C12 | C17 | 0.3° | 0.3° |
| C14 | C13 | C12 | N10 | 178.7° | 179.8° |
| C13 | C14 | C15 | H28 | 179.5° | 179.8° |
| C13 | C14 | C19 | H33 | 90.5° | 90.0° |
| C13 | C14 | C19 | H34 | 29.6° | 30.0° |
| C13 | C14 | C19 | H35 | 149.6° | 150.0° |
| C15 | C16 | C18 | C17 | 175.6° | 179.5° |
| C15 | C16 | C17 | C12 | 2.6° | 0.5° |
| C15 | C16 | C18 | H31 | 87.8° | 102.7° |
| C15 | C16 | C18 | H32 | 152.2° | 17.3° |
| C15 | C16 | C18 | H30 | 32.2° | 137.4° |
| C15 | C16 | C17 | H29 | 177.5° | 179.4° |
| C13 | C12 | C17 | C16 | 1.7° | 0.0° |
| C13 | C12 | C17 | N10 | 178.9° | 179.9° |
| C13 | C12 | N10 | C4 | 140.4° | 147.4° |
| C13 | C12 | C17 | H29 | 178.3° | 180.0° |
| C13 | C12 | N10 | H26 | 39.6° | 32.6° |
| C18 | C16 | C17 | C12 | 173.2° | 180.0° |
| C16 | C18 | H31 | H32 | 120.0° | 120.0° |
| C16 | C18 | H31 | H30 | 120.0° | 120.0° |
| C16 | C18 | H32 | H30 | 120.0° | 120.0° |
| C18 | C16 | C17 | H29 | 6.8° | 0.1° |
| C18 | C16 | C15 | H28 | 5.7° | 0.0° |
| C16 | C17 | C12 | H29 | 180.0° | 179.9° |
| C16 | C17 | C12 | N10 | 179.4° | 180.0° |
| C17 | C16 | C18 | H31 | 87.8° | 76.8° |
| C17 | C16 | C18 | H32 | 32.2° | 163.2° |
| C17 | C16 | C18 | H30 | 152.2° | 43.1° |
| C17 | C16 | C15 | H28 | 178.5° | 179.5° |
| C17 | C12 | N10 | C4 | 40.7° | 32.7° |
| C17 | C12 | C13 | H27 | 179.7° | 180.0° |
| C17 | C12 | N10 | H26 | 139.3° | 147.4° |
| C12 | N10 | C4 | H26 | 180.0° | 180.0° |
| C12 | N10 | C4 | N3 | 7.9° | 0.1° |
| C12 | N10 | C4 | C5 | 172.4° | 179.9° |
| N10 | C12 | C13 | H27 | 1.3° | 0.0° |
| N10 | C12 | C17 | H29 | 0.6° | 0.1° |
| N22 | C11 | O23 | C9 | 179.5° | 180.0° |
| N22 | C11 | C9 | N2 | 1.0° | 14.7° |
| N22 | C11 | C9 | C8 | 176.8° | 165.0° |
| C11 | N22 | H41 | H40 | 180.0° | 179.9° |
| N10 | C4 | N3 | C5 | 179.7° | 180.0° |
| N10 | C4 | N3 | N2 | 178.9° | 180.0° |
| N10 | C4 | C5 | C6 | 179.3° | 180.0° |
| N10 | C4 | C5 | H24 | 0.7° | 0.0° |
| C4 | N3 | N2 | C9 | 178.7° | 180.0° |
| C4 | N3 | N2 | C1 | 0.2° | 0.0° |
| N3 | C4 | C5 | C6 | 0.4° | 0.0° |
| N3 | C4 | C5 | H24 | 179.6° | 180.0° |
| N3 | C4 | N10 | H26 | 172.1° | 179.9° |
| N3 | N2 | C9 | C11 | 1.2° | 0.1° |
| N2 | N3 | C4 | C5 | 0.8° | 0.0° |
| N3 | N2 | C9 | C1 | 179.1° | 180.0° |
| N3 | N2 | C9 | C8 | 179.5° | 179.9° |
| N3 | N2 | C1 | C6 | 1.5° | 0.0° |
| N3 | N2 | C1 | N7 | 179.9° | 179.8° |
| O23 | C11 | C9 | N2 | 178.5° | 165.2° |
| O23 | C11 | C9 | C8 | 3.6° | 15.0° |
| O23 | C11 | N22 | H41 | 0.0° | 6.8° |
| O23 | C11 | N22 | H40 | 180.0° | 173.3° |
| C11 | C9 | N2 | C8 | 178.3° | 179.8° |
| C11 | C9 | N2 | C1 | 177.9° | 180.0° |
| C11 | C9 | C8 | N7 | 178.4° | 179.8° |
| C11 | C9 | C8 | H25 | 1.6° | 0.1° |
| C9 | C11 | N22 | H41 | 179.5° | 173.2° |
| C9 | C11 | N22 | H40 | 0.5° | 6.7° |
| C4 | C5 | C6 | H24 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.9° | 0.0° |
| C4 | C5 | C6 | N20 | 178.5° | 179.7° |
| C5 | C4 | N10 | H26 | 7.6° | 0.1° |
| C9 | N2 | C1 | C6 | 177.6° | 180.0° |
| C9 | N2 | C1 | N7 | 0.8° | 0.2° |
| N2 | C9 | C8 | N7 | 0.1° | 0.0° |
| N2 | C9 | C8 | H25 | 179.9° | 179.9° |
| C1 | N2 | C9 | C8 | 0.4° | 0.1° |
| N2 | C1 | C6 | C5 | 1.7° | 0.0° |
| N2 | C1 | C6 | N7 | 178.0° | 179.7° |
| N2 | C1 | N7 | C8 | 0.8° | 0.2° |
| N2 | C1 | C6 | N20 | 177.7° | 179.7° |
| C9 | C8 | N7 | C1 | 0.6° | 0.1° |
| C9 | C8 | N7 | H25 | 180.0° | 179.9° |
| C5 | C6 | C1 | N20 | 179.4° | 179.7° |
| C5 | C6 | C1 | N7 | 179.8° | 179.7° |
| C5 | C6 | N20 | C21 | 0.7° | 0.3° |
| C5 | C6 | N20 | H36 | 121.1° | 179.7° |
| C6 | C1 | N7 | C8 | 177.3° | 180.0° |
| C1 | C6 | N20 | C21 | 178.7° | 180.0° |
| C1 | C6 | C5 | H24 | 179.1° | 180.0° |
| C1 | C6 | N20 | H36 | 59.5° | 0.0° |
| N7 | C1 | C6 | N20 | 0.3° | 0.0° |
| C1 | N7 | C8 | H25 | 179.4° | 180.0° |
| C6 | N20 | C21 | H36 | 121.8° | 180.0° |
| C6 | N20 | C21 | H37 | 180.0° | 60.0° |
| C6 | N20 | C21 | H38 | 60.0° | 180.0° |
| C6 | N20 | C21 | H39 | 60.0° | 60.0° |
| N20 | C6 | C5 | H24 | 1.5° | 0.3° |
| N20 | C21 | H37 | H38 | 120.0° | 120.0° |
| N20 | C21 | H37 | H39 | 120.0° | 120.0° |
| N20 | C21 | H38 | H39 | 120.0° | 120.0° |
| H31 | C18 | H32 | H30 | 120.0° | 120.0° |
| H33 | C19 | H34 | H35 | 120.0° | 120.0° |
| H37 | C21 | H38 | H39 | 120.0° | 120.0° |
| H37 | C21 | N20 | H36 | 58.2° | 120.0° |
| H38 | C21 | N20 | H36 | 178.1° | 0.0° |
| H39 | C21 | N20 | H36 | 61.8° | 120.0° |
