L13
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N14 | N5 | sing | 1.37Å | 1.33Å | |
| N14 | H141 | sing | 1.01Å | 1.00Å | |
| N14 | H142 | sing | 1.01Å | 1.00Å | |
| N5 | C1 | sing | 1.35Å | 1.33Å | Aromatic |
| N5 | C4 | sing | 1.38Å | 1.32Å | Aromatic |
| C1 | S6 | doub | 1.71Å | 1.76Å | |
| C1 | N2 | sing | 1.35Å | 1.34Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.42Å | Aromatic |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N3 | C4 | doub | 1.30Å | 1.37Å | Aromatic |
| C4 | C7 | sing | 1.48Å | 1.48Å | Aromatic |
| C7 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | C13 | sing | 1.51Å | 1.51Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N5 | N14 | H141 | 109.5° | 106.8° |
| N5 | N14 | H142 | 109.5° | 106.7° |
| N14 | N5 | C1 | 127.2° | 125.9° |
| N14 | N5 | C4 | 122.3° | 125.8° |
| H141 | N14 | H142 | 109.5° | 106.7° |
| C1 | N5 | C4 | 110.5° | 108.3° |
| N5 | C1 | S6 | 127.4° | 126.2° |
| N5 | C1 | N2 | 110.5° | 107.6° |
| N5 | C4 | N3 | 106.5° | 108.5° |
| N5 | C4 | C7 | 123.5° | 125.8° |
| S6 | C1 | N2 | 122.1° | 126.2° |
| C1 | N2 | N3 | 104.2° | 107.6° |
| C1 | N2 | HN2 | 127.9° | 126.2° |
| N3 | N2 | HN2 | 127.9° | 126.2° |
| N2 | N3 | C4 | 108.3° | 108.0° |
| N3 | C4 | C7 | 130.0° | 125.7° |
| C4 | C7 | C12 | 114.8° | 120.2° |
| C4 | C7 | C8 | 123.9° | 120.1° |
| C12 | C7 | C8 | 121.2° | 119.7° |
| C7 | C12 | C11 | 120.8° | 119.9° |
| C7 | C12 | H12 | 119.6° | 120.1° |
| C7 | C8 | C9 | 118.2° | 119.9° |
| C7 | C8 | C13 | 121.8° | 120.1° |
| C11 | C12 | H12 | 119.6° | 120.1° |
| C12 | C11 | C10 | 118.1° | 120.1° |
| C12 | C11 | H11 | 120.9° | 119.9° |
| C10 | C11 | H11 | 120.9° | 120.0° |
| C11 | C10 | C9 | 121.0° | 120.3° |
| C11 | C10 | H10 | 119.5° | 119.8° |
| C9 | C10 | H10 | 119.5° | 119.9° |
| C10 | C9 | C8 | 120.6° | 120.1° |
| C10 | C9 | H9 | 119.7° | 120.0° |
| C8 | C9 | H9 | 119.7° | 119.9° |
| C9 | C8 | C13 | 120.0° | 120.1° |
| C8 | C13 | H131 | 109.4° | 109.5° |
| C8 | C13 | H132 | 109.5° | 109.4° |
| C8 | C13 | H133 | 109.5° | 109.4° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.4° |
| H132 | C13 | H133 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N5 | N14 | H141 | H142 | 120.0° | 113.9° |
| N14 | N5 | C1 | C4 | 179.2° | 179.6° |
| N14 | N5 | C1 | S6 | 2.3° | 0.3° |
| N14 | N5 | C1 | N2 | 179.9° | 180.0° |
| N14 | N5 | C4 | N3 | 179.4° | 180.0° |
| N14 | N5 | C4 | C7 | 2.6° | 0.2° |
| H141 | N14 | N5 | C1 | 74.7° | 0.0° |
| H141 | N14 | N5 | C4 | 106.2° | 179.5° |
| H142 | N14 | N5 | C1 | 45.3° | 113.8° |
| H142 | N14 | N5 | C4 | 133.8° | 66.7° |
| N5 | C1 | S6 | N2 | 177.4° | 179.6° |
| N5 | C1 | N2 | N3 | 0.1° | 0.3° |
| N5 | C1 | N2 | HN2 | 179.9° | 179.7° |
| C1 | N5 | C4 | N3 | 1.3° | 0.4° |
| C1 | N5 | C4 | C7 | 178.1° | 179.8° |
| C4 | N5 | C1 | S6 | 178.6° | 179.8° |
| C4 | N5 | C1 | N2 | 0.9° | 0.5° |
| N5 | C4 | N3 | N2 | 1.3° | 0.2° |
| N5 | C4 | N3 | C7 | 176.5° | 179.8° |
| N5 | C4 | C7 | C12 | 89.7° | 40.0° |
| N5 | C4 | C7 | C8 | 86.8° | 139.4° |
| S6 | C1 | N2 | N3 | 177.9° | 180.0° |
| S6 | C1 | N2 | HN2 | 2.1° | 0.0° |
| C1 | N2 | N3 | HN2 | 180.0° | 180.0° |
| C1 | N2 | N3 | C4 | 0.7° | 0.0° |
| N2 | N3 | C4 | C7 | 177.8° | 180.0° |
| HN2 | N2 | N3 | C4 | 179.3° | 180.0° |
| N3 | C4 | C7 | C12 | 86.3° | 140.3° |
| N3 | C4 | C7 | C8 | 97.2° | 40.3° |
| C4 | C7 | C12 | C8 | 176.6° | 179.4° |
| C4 | C7 | C12 | C11 | 178.5° | 180.0° |
| C4 | C7 | C12 | H12 | 1.5° | 0.3° |
| C4 | C7 | C8 | C9 | 178.1° | 180.0° |
| C4 | C7 | C8 | C13 | 2.7° | 0.2° |
| C7 | C12 | C11 | H12 | 180.0° | 179.7° |
| C7 | C12 | C11 | C10 | 0.8° | 0.3° |
| C7 | C12 | C11 | H11 | 179.2° | 179.7° |
| C12 | C7 | C8 | C9 | 1.8° | 0.5° |
| C12 | C7 | C8 | C13 | 179.0° | 179.7° |
| C8 | C7 | C12 | C11 | 1.9° | 0.6° |
| C8 | C7 | C12 | H12 | 178.1° | 179.7° |
| C7 | C8 | C9 | C10 | 0.8° | 0.3° |
| C7 | C8 | C9 | C13 | 179.2° | 179.8° |
| C7 | C8 | C9 | H9 | 179.2° | 179.8° |
| C7 | C8 | C13 | H131 | 141.0° | 90.3° |
| C7 | C8 | C13 | H132 | 21.0° | 29.8° |
| C7 | C8 | C13 | H133 | 99.0° | 149.8° |
| C12 | C11 | C10 | H11 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 0.2° | 0.0° |
| C12 | C11 | C10 | H10 | 179.8° | 180.0° |
| H12 | C12 | C11 | C10 | 179.1° | 180.0° |
| H12 | C12 | C11 | H11 | 0.9° | 0.0° |
| C11 | C10 | C9 | H10 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.2° | 0.0° |
| C11 | C10 | C9 | H9 | 179.8° | 180.0° |
| H11 | C11 | C10 | C9 | 179.8° | 180.0° |
| H11 | C11 | C10 | H10 | 0.2° | 0.0° |
| C10 | C9 | C8 | H9 | 180.0° | 180.0° |
| C10 | C9 | C8 | C13 | 180.0° | 180.0° |
| H10 | C10 | C9 | C8 | 179.8° | 180.0° |
| H10 | C10 | C9 | H9 | 0.1° | 0.0° |
| C9 | C8 | C13 | H131 | 39.8° | 89.9° |
| C9 | C8 | C13 | H132 | 159.8° | 150.0° |
| C9 | C8 | C13 | H133 | 80.2° | 30.0° |
| H9 | C9 | C8 | C13 | 0.0° | 0.0° |
| C8 | C13 | H131 | H132 | 120.0° | 120.0° |
| C8 | C13 | H131 | H133 | 120.0° | 120.0° |
| C8 | C13 | H132 | H133 | 120.0° | 119.9° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
