O14
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | N3 | sing | 1.47Å | 1.46Å | |
| C11 | N3 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| N3 | C9 | sing | 1.47Å | 1.47Å | |
| C12 | C7 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | O | sing | 1.43Å | 1.44Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| O | N2 | sing | 1.42Å | 1.36Å | |
| N2 | C6 | doub | 1.29Å | 1.26Å | |
| C6 | C5 | sing | 1.48Å | 1.48Å | |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.48Å | 1.50Å | |
| C1 | N4 | doub | 1.30Å | 1.27Å | |
| C1 | N1 | sing | 1.38Å | 1.33Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N1 | HN1A | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | N3 | C11 | 118.2° | 111.0° |
| C10 | N3 | C9 | 118.3° | 111.0° |
| N3 | C10 | H10 | 109.5° | 109.5° |
| N3 | C10 | H10A | 109.5° | 109.5° |
| N3 | C10 | H10B | 109.5° | 109.5° |
| N3 | C11 | C12 | 109.0° | 109.5° |
| C11 | N3 | C9 | 123.5° | 111.2° |
| N3 | C11 | H11 | 109.6° | 109.5° |
| N3 | C11 | H11A | 109.7° | 109.5° |
| C11 | C12 | C7 | 111.3° | 109.3° |
| C12 | C11 | H11 | 109.6° | 109.5° |
| C12 | C11 | H11A | 109.6° | 109.5° |
| C11 | C12 | H12 | 108.9° | 109.5° |
| C11 | C12 | H12A | 108.9° | 109.5° |
| N3 | C9 | C8 | 110.0° | 109.5° |
| N3 | C9 | H9 | 109.3° | 109.5° |
| N3 | C9 | H9A | 109.3° | 109.5° |
| C12 | C7 | O | 110.0° | 109.6° |
| C12 | C7 | C8 | 107.2° | 109.2° |
| C12 | C7 | H7 | 111.2° | 109.6° |
| C7 | C12 | H12 | 108.9° | 109.5° |
| C7 | C12 | H12A | 108.9° | 109.5° |
| C9 | C8 | C7 | 113.0° | 109.3° |
| C9 | C8 | H8 | 108.3° | 109.5° |
| C9 | C8 | H8A | 108.3° | 109.6° |
| C8 | C9 | H9 | 109.3° | 109.4° |
| C8 | C9 | H9A | 109.3° | 109.4° |
| O | C7 | C8 | 111.3° | 109.5° |
| C7 | O | N2 | 120.2° | 114.0° |
| O | C7 | H7 | 107.1° | 109.5° |
| C8 | C7 | H7 | 109.9° | 109.5° |
| C7 | C8 | H8 | 108.3° | 109.5° |
| C7 | C8 | H8A | 108.3° | 109.5° |
| O | N2 | C6 | 120.4° | 120.0° |
| N2 | C6 | C5 | 121.1° | 120.0° |
| N2 | C6 | H6 | 119.5° | 120.0° |
| C6 | C5 | C4 | 118.7° | 120.0° |
| C6 | C5 | C13 | 121.6° | 120.0° |
| C5 | C6 | H6 | 119.5° | 120.0° |
| C4 | C5 | C13 | 119.7° | 120.0° |
| C5 | C4 | C3 | 119.7° | 120.0° |
| C5 | C4 | H4 | 120.1° | 120.0° |
| C5 | C13 | C14 | 120.7° | 120.0° |
| C5 | C13 | H13 | 119.7° | 120.0° |
| C4 | C3 | C2 | 120.9° | 120.0° |
| C4 | C3 | H3 | 119.6° | 119.9° |
| C3 | C4 | H4 | 120.1° | 120.1° |
| C13 | C14 | C2 | 119.3° | 120.0° |
| C14 | C13 | H13 | 119.6° | 120.0° |
| C13 | C14 | H14 | 120.4° | 120.0° |
| C3 | C2 | C14 | 119.7° | 120.0° |
| C3 | C2 | C1 | 119.0° | 120.0° |
| C2 | C3 | H3 | 119.6° | 120.0° |
| C14 | C2 | C1 | 121.3° | 120.0° |
| C2 | C14 | H14 | 120.3° | 120.0° |
| C2 | C1 | N4 | 119.6° | 120.0° |
| C2 | C1 | N1 | 120.5° | 120.0° |
| N4 | C1 | N1 | 119.9° | 120.0° |
| C1 | N4 | HN4 | 112.0° | 120.0° |
| C1 | N1 | HN1 | 120.0° | 120.0° |
| C1 | N1 | HN1A | 120.0° | 120.0° |
| HN1 | N1 | HN1A | 120.0° | 120.0° |
| H8 | C8 | H8A | 110.6° | 109.4° |
| H9 | C9 | H9A | 109.6° | 109.4° |
| H10 | C10 | H10A | 109.5° | 109.5° |
| H10 | C10 | H10B | 109.4° | 109.5° |
| H10A | C10 | H10B | 109.5° | 109.5° |
| H11 | C11 | H11A | 109.3° | 109.4° |
| H12 | C12 | H12A | 110.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | N3 | C11 | C9 | 178.0° | 124.1° |
| C10 | N3 | C11 | C12 | 139.0° | 174.2° |
| C10 | N3 | C9 | C8 | 142.4° | 174.2° |
| C10 | N3 | C9 | H9 | 22.4° | 65.8° |
| C10 | N3 | C9 | H9A | 97.6° | 54.1° |
| N3 | C10 | H10 | H10A | 120.0° | 120.0° |
| N3 | C10 | H10 | H10B | 120.0° | 120.0° |
| N3 | C10 | H10A | H10B | 120.0° | 120.0° |
| C10 | N3 | C11 | H11 | 101.0° | 54.2° |
| C10 | N3 | C11 | H11A | 19.1° | 65.8° |
| N3 | C11 | C12 | H11 | 120.0° | 120.0° |
| N3 | C11 | C12 | H11A | 120.0° | 120.0° |
| N3 | C11 | C12 | C7 | 52.9° | 59.2° |
| C11 | N3 | C9 | C8 | 39.6° | 61.7° |
| C11 | N3 | C9 | H9 | 159.6° | 58.3° |
| C11 | N3 | C9 | H9A | 80.4° | 178.3° |
| C11 | N3 | C10 | H10 | 180.0° | 64.2° |
| C11 | N3 | C10 | H10A | 60.0° | 55.8° |
| C11 | N3 | C10 | H10B | 60.0° | 175.8° |
| N3 | C11 | H11 | H11A | 120.2° | 120.0° |
| N3 | C11 | C12 | H12 | 172.9° | 179.2° |
| N3 | C11 | C12 | H12A | 67.1° | 60.7° |
| C12 | C11 | N3 | C9 | 42.9° | 61.7° |
| C11 | C12 | C7 | H12 | 120.0° | 120.0° |
| C11 | C12 | C7 | H12A | 120.0° | 119.9° |
| C11 | C12 | C7 | O | 58.2° | 177.5° |
| C11 | C12 | C7 | C8 | 63.0° | 57.6° |
| C11 | C12 | C7 | H7 | 176.7° | 62.3° |
| C12 | C11 | H11 | H11A | 120.2° | 120.0° |
| C11 | C12 | H12 | H12A | 119.3° | 120.1° |
| N3 | C9 | C8 | H9 | 120.0° | 120.0° |
| N3 | C9 | C8 | H9A | 120.0° | 120.1° |
| N3 | C9 | C8 | C7 | 46.3° | 59.2° |
| N3 | C9 | C8 | H8 | 73.7° | 60.8° |
| N3 | C9 | C8 | H8A | 166.3° | 179.1° |
| N3 | C9 | H9 | H9A | 119.8° | 120.0° |
| C9 | N3 | C10 | H10 | 1.9° | 60.0° |
| C9 | N3 | C10 | H10A | 121.9° | 180.0° |
| C9 | N3 | C10 | H10B | 118.1° | 60.0° |
| C9 | N3 | C11 | H11 | 77.0° | 178.2° |
| C9 | N3 | C11 | H11A | 162.9° | 58.3° |
| C12 | C7 | C8 | C9 | 59.8° | 57.6° |
| C12 | C7 | O | C8 | 118.8° | 119.7° |
| C12 | C7 | O | H7 | 121.0° | 120.2° |
| C12 | C7 | C8 | H7 | 121.0° | 120.0° |
| C12 | C7 | O | N2 | 140.3° | 85.3° |
| C12 | C7 | C8 | H8 | 60.2° | 62.3° |
| C12 | C7 | C8 | H8A | 179.7° | 177.6° |
| C7 | C12 | C11 | H11 | 67.1° | 179.2° |
| C7 | C12 | C11 | H11A | 172.9° | 60.8° |
| C7 | C12 | H12 | H12A | 119.3° | 120.1° |
| C9 | C8 | C7 | O | 60.6° | 177.6° |
| C9 | C8 | C7 | H8 | 120.0° | 120.0° |
| C9 | C8 | C7 | H8A | 120.0° | 120.0° |
| C9 | C8 | C7 | H7 | 179.2° | 62.3° |
| C9 | C8 | H8 | H8A | 118.6° | 120.1° |
| C8 | C9 | H9 | H9A | 119.8° | 119.9° |
| O | C7 | C8 | H7 | 118.6° | 120.1° |
| C7 | O | N2 | C6 | 161.0° | 180.0° |
| O | C7 | C8 | H8 | 179.4° | 57.6° |
| O | C7 | C8 | H8A | 59.3° | 62.4° |
| O | C7 | C12 | H12 | 61.8° | 62.5° |
| O | C7 | C12 | H12A | 178.2° | 57.6° |
| C8 | C7 | O | N2 | 100.9° | 155.0° |
| C7 | C8 | H8 | H8A | 118.6° | 120.0° |
| C7 | C8 | C9 | H9 | 166.3° | 60.9° |
| C7 | C8 | C9 | H9A | 73.7° | 179.2° |
| C8 | C7 | C12 | H12 | 177.0° | 177.6° |
| C8 | C7 | C12 | H12A | 56.9° | 62.3° |
| O | N2 | C6 | C5 | 179.7° | 180.0° |
| O | N2 | C6 | H6 | 0.3° | 0.1° |
| N2 | O | C7 | H7 | 19.3° | 34.9° |
| N2 | C6 | C5 | H6 | 180.0° | 180.0° |
| N2 | C6 | C5 | C4 | 177.9° | 180.0° |
| N2 | C6 | C5 | C13 | 2.1° | 0.0° |
| C6 | C5 | C4 | C13 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 179.8° | 179.9° |
| C6 | C5 | C13 | C14 | 179.8° | 179.7° |
| C6 | C5 | C4 | H4 | 0.2° | 0.1° |
| C6 | C5 | C13 | H13 | 0.2° | 0.0° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C4 | C5 | C13 | C14 | 0.2° | 0.3° |
| C5 | C4 | C3 | C2 | 0.4° | 0.0° |
| C5 | C4 | C3 | H3 | 179.6° | 180.0° |
| C4 | C5 | C6 | H6 | 2.1° | 0.0° |
| C4 | C5 | C13 | H13 | 179.8° | 180.0° |
| C13 | C5 | C4 | C3 | 0.2° | 0.0° |
| C5 | C13 | C14 | H13 | 180.0° | 179.7° |
| C5 | C13 | C14 | C2 | 0.4° | 0.6° |
| C13 | C5 | C4 | H4 | 179.9° | 180.0° |
| C13 | C5 | C6 | H6 | 177.9° | 180.0° |
| C5 | C13 | C14 | H14 | 179.6° | 180.0° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C14 | 0.6° | 0.3° |
| C4 | C3 | C2 | C1 | 179.7° | 180.0° |
| C13 | C14 | C2 | C3 | 0.6° | 0.5° |
| C13 | C14 | C2 | H14 | 180.0° | 179.5° |
| C13 | C14 | C2 | C1 | 179.8° | 179.7° |
| C3 | C2 | C14 | C1 | 179.6° | 179.7° |
| C3 | C2 | C1 | N4 | 0.4° | 0.0° |
| C3 | C2 | C1 | N1 | 179.5° | 180.0° |
| C2 | C3 | C4 | H4 | 179.6° | 180.0° |
| C3 | C2 | C14 | H14 | 179.4° | 180.0° |
| C14 | C2 | C1 | N4 | 179.2° | 179.8° |
| C14 | C2 | C1 | N1 | 0.9° | 0.2° |
| C14 | C2 | C3 | H3 | 179.4° | 179.7° |
| C2 | C14 | C13 | H13 | 179.6° | 179.7° |
| C2 | C1 | N4 | N1 | 179.8° | 180.0° |
| C2 | C1 | N1 | HN1 | 179.8° | 180.0° |
| C2 | C1 | N1 | HN1A | 0.2° | 0.1° |
| C1 | C2 | C3 | H3 | 0.3° | 0.0° |
| C2 | C1 | N4 | HN4 | 179.8° | 180.0° |
| C1 | C2 | C14 | H14 | 0.3° | 0.2° |
| N4 | C1 | N1 | HN1 | 0.0° | 0.0° |
| N4 | C1 | N1 | HN1A | 180.0° | 179.9° |
| C1 | N1 | HN1 | HN1A | 180.0° | 179.9° |
| N1 | C1 | N4 | HN4 | 0.0° | 0.0° |
| H3 | C3 | C4 | H4 | 0.4° | 0.0° |
| H7 | C7 | C8 | H8 | 60.8° | 177.7° |
| H7 | C7 | C8 | H8A | 59.2° | 57.7° |
| H7 | C7 | C12 | H12 | 56.8° | 57.7° |
| H7 | C7 | C12 | H12A | 63.3° | 177.8° |
| H8 | C8 | C9 | H9 | 46.3° | 179.1° |
| H8 | C8 | C9 | H9A | 166.3° | 59.3° |
| H8A | C8 | C9 | H9 | 73.7° | 59.1° |
| H8A | C8 | C9 | H9A | 46.3° | 60.8° |
| H10 | C10 | H10A | H10B | 119.9° | 120.0° |
| H11 | C11 | C12 | H12 | 52.9° | 60.8° |
| H11 | C11 | C12 | H12A | 172.9° | 59.3° |
| H11A | C11 | C12 | H12 | 67.1° | 59.1° |
| H11A | C11 | C12 | H12A | 52.9° | 179.2° |
| H13 | C13 | C14 | H14 | 0.4° | 0.3° |
