L3L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | doub | 1.41Å | 1.38Å | Aromatic |
| C4 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C4 | C7 | sing | 1.48Å | 1.47Å | |
| C5 | C8 | sing | 1.48Å | 1.47Å | |
| C6 | C9 | sing | 1.51Å | 1.48Å | |
| C7 | N16 | sing | 1.34Å | 1.38Å | |
| C7 | O18 | doub | 1.21Å | 1.22Å | |
| C8 | N17 | sing | 1.35Å | 1.37Å | |
| C8 | O19 | doub | 1.22Å | 1.22Å | |
| C9 | N16 | sing | 1.47Å | 1.44Å | |
| C10 | C12 | sing | 1.53Å | 1.51Å | |
| C10 | C14 | sing | 1.53Å | 1.51Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | C13 | sing | 1.53Å | 1.51Å | |
| C11 | C14 | sing | 1.53Å | 1.51Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | N15 | sing | 1.47Å | 1.45Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | N15 | sing | 1.47Å | 1.45Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | N16 | sing | 1.46Å | 1.44Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| N15 | HN15 | sing | 1.01Å | 1.00Å | |
| N17 | HN17 | sing | 0.97Å | 1.00Å | |
| N17 | HN1A | sing | 0.97Å | 1.00Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 120.7° | 120.3° |
| C2 | C1 | H1 | 119.7° | 119.9° |
| C1 | C2 | C5 | 120.5° | 120.1° |
| C1 | C2 | H2 | 119.7° | 119.9° |
| C3 | C1 | H1 | 119.7° | 119.9° |
| C1 | C3 | C6 | 118.4° | 120.3° |
| C1 | C3 | H3 | 120.8° | 119.8° |
| C5 | C2 | H2 | 119.7° | 120.0° |
| C2 | C5 | C4 | 118.4° | 119.6° |
| C2 | C5 | C8 | 116.6° | 120.2° |
| C6 | C3 | H3 | 120.8° | 119.9° |
| C3 | C6 | C4 | 121.0° | 120.4° |
| C3 | C6 | C9 | 127.1° | 133.1° |
| C5 | C4 | C6 | 121.0° | 119.3° |
| C5 | C4 | C7 | 130.9° | 132.3° |
| C4 | C5 | C8 | 125.0° | 120.2° |
| C6 | C4 | C7 | 108.1° | 108.4° |
| C4 | C6 | C9 | 111.9° | 106.5° |
| C4 | C7 | N16 | 104.6° | 110.2° |
| C4 | C7 | O18 | 126.6° | 124.9° |
| C5 | C8 | N17 | 115.7° | 120.0° |
| C5 | C8 | O19 | 118.6° | 120.0° |
| C6 | C9 | N16 | 99.9° | 106.3° |
| C6 | C9 | H9 | 112.8° | 110.1° |
| C6 | C9 | H17 | 112.8° | 110.1° |
| N16 | C7 | O18 | 128.7° | 124.9° |
| C7 | N16 | C9 | 114.8° | 108.7° |
| C7 | N16 | C14 | 122.3° | 125.6° |
| N17 | C8 | O19 | 125.6° | 120.0° |
| C8 | N17 | HN17 | 120.0° | 120.1° |
| C8 | N17 | HN1A | 120.0° | 120.0° |
| C9 | N16 | C14 | 122.1° | 125.7° |
| N16 | C9 | H9 | 112.8° | 110.1° |
| N16 | C9 | H17 | 112.8° | 110.1° |
| C12 | C10 | C14 | 108.2° | 109.3° |
| C12 | C10 | H10 | 109.9° | 109.5° |
| C12 | C10 | H10A | 109.9° | 109.5° |
| C10 | C12 | N15 | 108.0° | 109.6° |
| C10 | C12 | H12 | 109.9° | 109.5° |
| C10 | C12 | H12A | 110.0° | 109.5° |
| C14 | C10 | H10 | 109.9° | 109.5° |
| C14 | C10 | H10A | 109.9° | 109.5° |
| C10 | C14 | C11 | 108.4° | 109.2° |
| C10 | C14 | N16 | 111.8° | 109.6° |
| C10 | C14 | H14 | 109.5° | 109.5° |
| H10 | C10 | H10A | 109.0° | 109.6° |
| C13 | C11 | C14 | 108.5° | 109.3° |
| C13 | C11 | H11 | 109.8° | 109.5° |
| C13 | C11 | H11A | 109.8° | 109.5° |
| C11 | C13 | N15 | 108.9° | 109.5° |
| C11 | C13 | H13 | 109.6° | 109.4° |
| C11 | C13 | H13A | 109.7° | 109.5° |
| C14 | C11 | H11 | 109.8° | 109.5° |
| C14 | C11 | H11A | 109.8° | 109.5° |
| C11 | C14 | N16 | 111.9° | 109.5° |
| C11 | C14 | H14 | 109.4° | 109.5° |
| H11 | C11 | H11A | 109.2° | 109.5° |
| N15 | C12 | H12 | 110.0° | 109.4° |
| N15 | C12 | H12A | 109.9° | 109.5° |
| C12 | N15 | C13 | 108.0° | 111.2° |
| C12 | N15 | HN15 | 109.9° | 111.0° |
| H12 | C12 | H12A | 109.0° | 109.4° |
| N15 | C13 | H13 | 109.7° | 109.5° |
| N15 | C13 | H13A | 109.6° | 109.5° |
| C13 | N15 | HN15 | 110.0° | 111.1° |
| H13 | C13 | H13A | 109.3° | 109.5° |
| N16 | C14 | H14 | 105.8° | 109.6° |
| HN17 | N17 | HN1A | 120.0° | 120.0° |
| H9 | C9 | H17 | 105.9° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | H1 | 180.0° | 179.8° |
| C1 | C2 | C5 | H2 | 180.0° | 180.0° |
| C2 | C1 | C3 | C6 | 1.3° | 0.1° |
| C2 | C1 | C3 | H3 | 178.7° | 180.0° |
| C1 | C2 | C5 | C4 | 0.2° | 0.0° |
| C1 | C2 | C5 | C8 | 179.7° | 180.0° |
| C3 | C1 | C2 | C5 | 0.8° | 0.0° |
| C3 | C1 | C2 | H2 | 179.2° | 180.0° |
| C1 | C3 | C6 | H3 | 180.0° | 179.9° |
| C1 | C3 | C6 | C4 | 0.7° | 0.1° |
| C1 | C3 | C6 | C9 | 179.7° | 180.0° |
| H1 | C1 | C2 | C5 | 179.2° | 179.8° |
| H1 | C1 | C2 | H2 | 0.8° | 0.2° |
| H1 | C1 | C3 | C6 | 178.7° | 179.7° |
| H1 | C1 | C3 | H3 | 1.3° | 0.1° |
| C2 | C5 | C4 | C8 | 179.9° | 179.9° |
| C2 | C5 | C4 | C6 | 0.8° | 0.1° |
| C2 | C5 | C4 | C7 | 179.7° | 179.9° |
| C2 | C5 | C8 | N17 | 173.0° | 0.0° |
| C2 | C5 | C8 | O19 | 7.6° | 179.9° |
| H2 | C2 | C5 | C4 | 179.8° | 180.0° |
| H2 | C2 | C5 | C8 | 0.3° | 0.1° |
| C3 | C6 | C4 | C5 | 0.3° | 0.1° |
| C3 | C6 | C4 | C9 | 179.1° | 179.9° |
| C3 | C6 | C4 | C7 | 179.9° | 180.0° |
| C3 | C6 | C9 | N16 | 174.8° | 179.9° |
| C3 | C6 | C9 | H9 | 54.8° | 60.9° |
| C3 | C6 | C9 | H17 | 65.2° | 60.7° |
| H3 | C3 | C6 | C4 | 179.3° | 180.0° |
| H3 | C3 | C6 | C9 | 0.3° | 0.1° |
| C5 | C4 | C6 | C7 | 179.6° | 179.9° |
| C5 | C4 | C6 | C9 | 178.8° | 179.9° |
| C5 | C4 | C7 | N16 | 173.8° | 180.0° |
| C5 | C4 | C7 | O18 | 9.1° | 0.1° |
| C4 | C5 | C8 | N17 | 7.1° | 180.0° |
| C4 | C5 | C8 | O19 | 172.3° | 0.0° |
| C6 | C4 | C5 | C8 | 179.1° | 180.0° |
| C6 | C4 | C7 | N16 | 5.7° | 0.1° |
| C6 | C4 | C7 | O18 | 171.4° | 180.0° |
| C4 | C6 | C9 | N16 | 4.2° | 0.0° |
| C4 | C6 | C9 | H9 | 124.2° | 119.2° |
| C4 | C6 | C9 | H17 | 115.8° | 119.2° |
| C7 | C4 | C5 | C8 | 0.4° | 0.2° |
| C7 | C4 | C6 | C9 | 0.8° | 0.1° |
| C4 | C7 | N16 | O18 | 177.1° | 179.9° |
| C4 | C7 | N16 | C9 | 9.1° | 0.1° |
| C4 | C7 | N16 | C14 | 179.5° | 180.0° |
| C5 | C8 | N17 | O19 | 179.3° | 180.0° |
| C5 | C8 | N17 | HN17 | 179.4° | 0.0° |
| C5 | C8 | N17 | HN1A | 0.7° | 180.0° |
| C6 | C9 | N16 | C7 | 8.3° | 0.1° |
| C6 | C9 | N16 | H9 | 120.0° | 119.2° |
| C6 | C9 | N16 | H17 | 120.0° | 119.2° |
| C6 | C9 | N16 | C14 | 178.8° | 180.0° |
| C6 | C9 | H9 | H17 | 123.9° | 121.6° |
| C7 | N16 | C9 | C14 | 170.5° | 179.9° |
| C7 | N16 | C14 | C10 | 98.3° | 60.0° |
| C7 | N16 | C14 | C11 | 139.9° | 59.7° |
| C7 | N16 | C14 | H14 | 20.8° | 179.8° |
| C7 | N16 | C9 | H9 | 128.3° | 119.2° |
| C7 | N16 | C9 | H17 | 111.7° | 119.2° |
| O18 | C7 | N16 | C9 | 168.0° | 180.0° |
| O18 | C7 | N16 | C14 | 2.5° | 0.1° |
| C8 | N17 | HN17 | HN1A | 180.0° | 180.0° |
| O19 | C8 | N17 | HN17 | 0.0° | 179.9° |
| O19 | C8 | N17 | HN1A | 180.0° | 0.0° |
| C9 | N16 | C14 | C10 | 71.4° | 119.9° |
| C9 | N16 | C14 | C11 | 50.4° | 120.4° |
| C9 | N16 | C14 | H14 | 169.4° | 0.3° |
| N16 | C9 | H9 | H17 | 123.9° | 121.6° |
| C12 | C10 | C14 | H10 | 120.0° | 119.9° |
| C12 | C10 | C14 | H10A | 120.0° | 119.9° |
| C12 | C10 | H10 | H10A | 120.5° | 120.1° |
| C12 | C10 | C14 | C11 | 59.5° | 57.6° |
| C10 | C12 | N15 | H12 | 120.0° | 120.1° |
| C10 | C12 | N15 | H12A | 120.0° | 120.0° |
| C10 | C12 | H12 | H12A | 120.6° | 120.0° |
| C10 | C12 | N15 | C13 | 66.7° | 61.8° |
| C12 | C10 | C14 | N16 | 176.7° | 177.5° |
| C12 | C10 | C14 | H14 | 59.8° | 62.2° |
| C10 | C12 | N15 | HN15 | 53.3° | 62.4° |
| C14 | C10 | H10 | H10A | 120.5° | 120.1° |
| C10 | C14 | C11 | C13 | 58.2° | 57.6° |
| C10 | C14 | C11 | N16 | 123.7° | 120.0° |
| C10 | C14 | C11 | H14 | 119.3° | 119.9° |
| C10 | C14 | C11 | H11 | 61.8° | 62.3° |
| C10 | C14 | C11 | H11A | 178.2° | 177.6° |
| C14 | C10 | C12 | N15 | 63.8° | 59.2° |
| C14 | C10 | C12 | H12 | 176.2° | 179.2° |
| C14 | C10 | C12 | H12A | 56.2° | 60.9° |
| C10 | C14 | N16 | H14 | 119.1° | 120.2° |
| H10 | C10 | C14 | C11 | 179.5° | 177.5° |
| H10 | C10 | C12 | N15 | 176.2° | 179.1° |
| H10 | C10 | C12 | H12 | 56.2° | 60.8° |
| H10 | C10 | C12 | H12A | 63.8° | 59.1° |
| H10 | C10 | C14 | N16 | 56.7° | 62.5° |
| H10 | C10 | C14 | H14 | 60.2° | 57.7° |
| H10A | C10 | C14 | C11 | 60.5° | 62.3° |
| H10A | C10 | C12 | N15 | 56.2° | 60.7° |
| H10A | C10 | C12 | H12 | 63.8° | 59.3° |
| H10A | C10 | C12 | H12A | 176.2° | 179.2° |
| H10A | C10 | C14 | N16 | 63.3° | 57.6° |
| H10A | C10 | C14 | H14 | 179.8° | 177.9° |
| C13 | C11 | C14 | H11 | 120.0° | 119.9° |
| C13 | C11 | C14 | H11A | 120.0° | 119.9° |
| C13 | C11 | H11 | H11A | 120.4° | 120.0° |
| C11 | C13 | N15 | C12 | 65.7° | 61.7° |
| C11 | C13 | N15 | H13 | 120.0° | 120.0° |
| C11 | C13 | N15 | H13A | 120.0° | 120.0° |
| C11 | C13 | H13 | H13A | 120.2° | 119.9° |
| C13 | C11 | C14 | N16 | 178.1° | 177.6° |
| C13 | C11 | C14 | H14 | 61.1° | 62.3° |
| C11 | C13 | N15 | HN15 | 54.3° | 62.4° |
| C14 | C11 | H11 | H11A | 120.4° | 120.1° |
| C14 | C11 | C13 | N15 | 61.4° | 59.2° |
| C14 | C11 | C13 | H13 | 58.6° | 60.9° |
| C14 | C11 | C13 | H13A | 178.6° | 179.2° |
| C11 | C14 | N16 | H14 | 119.1° | 120.1° |
| H11 | C11 | C13 | N15 | 58.6° | 60.8° |
| H11 | C11 | C13 | H13 | 178.6° | 179.2° |
| H11 | C11 | C13 | H13A | 61.4° | 59.2° |
| H11 | C11 | C14 | N16 | 61.9° | 57.7° |
| H11 | C11 | C14 | H14 | 178.9° | 177.8° |
| H11A | C11 | C13 | N15 | 178.6° | 179.1° |
| H11A | C11 | C13 | H13 | 61.4° | 59.1° |
| H11A | C11 | C13 | H13A | 58.6° | 60.8° |
| H11A | C11 | C14 | N16 | 58.1° | 62.5° |
| H11A | C11 | C14 | H14 | 58.9° | 57.7° |
| N15 | C12 | H12 | H12A | 120.6° | 119.9° |
| C12 | N15 | C13 | HN15 | 120.0° | 124.1° |
| C12 | N15 | C13 | H13 | 54.3° | 58.2° |
| C12 | N15 | C13 | H13A | 174.3° | 178.3° |
| H12 | C12 | N15 | C13 | 173.3° | 178.2° |
| H12 | C12 | N15 | HN15 | 66.7° | 57.7° |
| H12A | C12 | N15 | C13 | 53.3° | 58.3° |
| H12A | C12 | N15 | HN15 | 173.3° | 177.6° |
| N15 | C13 | H13 | H13A | 120.2° | 120.0° |
| H13 | C13 | N15 | HN15 | 174.3° | 177.7° |
| H13A | C13 | N15 | HN15 | 65.7° | 57.6° |
| C14 | N16 | C9 | H9 | 61.2° | 60.7° |
| C14 | N16 | C9 | H17 | 58.8° | 60.8° |
