O13
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C10 | N3 | sing | 1.47Å | 1.47Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C11 | N3 | sing | 1.47Å | 1.46Å | |
| N3 | C12 | sing | 1.47Å | 1.47Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C12 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | O | sing | 1.43Å | 1.42Å | |
| O | N2 | sing | 1.42Å | 1.36Å | |
| N2 | C6 | doub | 1.29Å | 1.25Å | |
| C6 | C5 | sing | 1.48Å | 1.47Å | |
| C5 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.48Å | 1.50Å | |
| C1 | N1 | sing | 1.38Å | 1.34Å | |
| C1 | N4 | doub | 1.30Å | 1.26Å | |
| 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 | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | 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) |
| C9 | C10 | N3 | 108.9° | 109.5° |
| C10 | C9 | C8 | 109.3° | 109.3° |
| C10 | C9 | H9 | 109.5° | 109.5° |
| C10 | C9 | H9A | 109.5° | 109.5° |
| C9 | C10 | H10 | 109.7° | 109.5° |
| C9 | C10 | H10A | 109.7° | 109.5° |
| C10 | N3 | C11 | 118.1° | 111.0° |
| C10 | N3 | C12 | 122.1° | 111.2° |
| N3 | C10 | H10 | 109.7° | 109.4° |
| N3 | C10 | H10A | 109.6° | 109.4° |
| C9 | C8 | C7 | 109.9° | 109.2° |
| C9 | C8 | H8 | 109.3° | 109.5° |
| C9 | C8 | H8A | 109.3° | 109.6° |
| C8 | C9 | H9 | 109.5° | 109.5° |
| C8 | C9 | H9A | 109.5° | 109.5° |
| C11 | N3 | C12 | 119.7° | 111.0° |
| N3 | C11 | H11 | 109.5° | 109.5° |
| N3 | C11 | H11A | 109.5° | 109.5° |
| N3 | C11 | H11B | 109.5° | 109.4° |
| N3 | C12 | C7 | 110.1° | 109.6° |
| N3 | C12 | H12 | 109.3° | 109.4° |
| N3 | C12 | H12A | 109.3° | 109.5° |
| C8 | C7 | C12 | 112.7° | 109.3° |
| C8 | C7 | O | 109.7° | 109.5° |
| C8 | C7 | H7 | 107.2° | 109.6° |
| C7 | C8 | H8 | 109.3° | 109.5° |
| C7 | C8 | H8A | 109.3° | 109.5° |
| C12 | C7 | O | 109.9° | 109.5° |
| C12 | C7 | H7 | 107.1° | 109.5° |
| C7 | C12 | H12 | 109.2° | 109.5° |
| C7 | C12 | H12A | 109.3° | 109.4° |
| C7 | O | N2 | 118.4° | 114.0° |
| O | C7 | H7 | 110.2° | 109.5° |
| O | N2 | C6 | 117.2° | 120.0° |
| N2 | C6 | C5 | 122.2° | 120.0° |
| N2 | C6 | H6 | 118.9° | 120.0° |
| C6 | C5 | C13 | 117.7° | 120.1° |
| C6 | C5 | C4 | 121.8° | 120.0° |
| C5 | C6 | H6 | 118.9° | 119.9° |
| C13 | C5 | C4 | 120.6° | 119.9° |
| C5 | C13 | C14 | 119.1° | 120.0° |
| C5 | C13 | H13 | 120.5° | 119.9° |
| C5 | C4 | C3 | 120.4° | 120.0° |
| C5 | C4 | H4 | 119.8° | 120.0° |
| C13 | C14 | C2 | 120.8° | 120.0° |
| C14 | C13 | H13 | 120.5° | 120.0° |
| C13 | C14 | H14 | 119.6° | 120.0° |
| C4 | C3 | C2 | 119.2° | 120.0° |
| C4 | C3 | H3 | 120.4° | 120.0° |
| C3 | C4 | H4 | 119.8° | 120.0° |
| C14 | C2 | C3 | 120.0° | 120.1° |
| C14 | C2 | C1 | 118.8° | 120.0° |
| C2 | C14 | H14 | 119.6° | 120.0° |
| C3 | C2 | C1 | 121.1° | 120.0° |
| C2 | C3 | H3 | 120.4° | 120.0° |
| C2 | C1 | N1 | 119.1° | 120.0° |
| C2 | C1 | N4 | 120.1° | 120.0° |
| N1 | C1 | N4 | 120.7° | 120.0° |
| C1 | N1 | HN1 | 120.0° | 120.0° |
| C1 | N1 | HN1A | 120.0° | 120.0° |
| C1 | N4 | HN4 | 112.0° | 120.0° |
| HN1 | N1 | HN1A | 120.0° | 120.0° |
| H8 | C8 | H8A | 109.6° | 109.5° |
| H9 | C9 | H9A | 109.4° | 109.5° |
| H10 | C10 | H10A | 109.3° | 109.4° |
| H11 | C11 | H11A | 109.5° | 109.5° |
| H11 | C11 | H11B | 109.5° | 109.4° |
| H11A | C11 | H11B | 109.5° | 109.5° |
| H12 | C12 | H12A | 109.7° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C10 | N3 | H10 | 120.0° | 120.0° |
| C9 | C10 | N3 | H10A | 120.0° | 120.0° |
| C10 | C9 | C8 | H9 | 120.0° | 119.9° |
| C10 | C9 | C8 | H9A | 120.0° | 120.0° |
| C9 | C10 | N3 | C11 | 133.5° | 174.1° |
| C9 | C10 | N3 | C12 | 49.1° | 61.7° |
| C10 | C9 | C8 | C7 | 62.3° | 57.7° |
| C10 | C9 | C8 | H8 | 57.7° | 177.6° |
| C10 | C9 | C8 | H8A | 177.7° | 62.3° |
| C10 | C9 | H9 | H9A | 120.1° | 120.1° |
| C9 | C10 | H10 | H10A | 120.3° | 120.0° |
| N3 | C10 | C9 | C8 | 55.9° | 59.2° |
| C10 | N3 | C11 | C12 | 177.5° | 124.3° |
| C10 | N3 | C12 | C7 | 42.6° | 61.7° |
| N3 | C10 | C9 | H9 | 175.9° | 60.8° |
| N3 | C10 | C9 | H9A | 64.1° | 179.1° |
| N3 | C10 | H10 | H10A | 120.2° | 119.9° |
| C10 | N3 | C11 | H11 | 180.0° | 175.8° |
| C10 | N3 | C11 | H11A | 60.0° | 55.7° |
| C10 | N3 | C11 | H11B | 60.0° | 64.3° |
| C10 | N3 | C12 | H12 | 162.6° | 178.3° |
| C10 | N3 | C12 | H12A | 77.4° | 58.3° |
| C9 | C8 | C7 | H8 | 120.0° | 120.0° |
| C9 | C8 | C7 | H8A | 120.0° | 120.0° |
| C9 | C8 | C7 | C12 | 56.5° | 57.6° |
| C9 | C8 | C7 | O | 66.2° | 62.3° |
| C9 | C8 | C7 | H7 | 174.1° | 177.6° |
| C9 | C8 | H8 | H8A | 119.8° | 120.2° |
| C8 | C9 | H9 | H9A | 120.0° | 120.1° |
| C8 | C9 | C10 | H10 | 175.9° | 60.8° |
| C8 | C9 | C10 | H10A | 64.1° | 179.2° |
| C11 | N3 | C12 | C7 | 140.0° | 174.1° |
| C11 | N3 | C10 | H10 | 13.5° | 65.9° |
| C11 | N3 | C10 | H10A | 106.5° | 54.1° |
| N3 | C11 | H11 | H11A | 120.0° | 120.1° |
| N3 | C11 | H11 | H11B | 120.0° | 119.9° |
| N3 | C11 | H11A | H11B | 120.0° | 120.0° |
| C11 | N3 | C12 | H12 | 20.0° | 54.1° |
| C11 | N3 | C12 | H12A | 100.0° | 65.8° |
| N3 | C12 | C7 | C8 | 43.9° | 59.2° |
| N3 | C12 | C7 | H12 | 120.0° | 120.0° |
| N3 | C12 | C7 | H12A | 120.0° | 120.1° |
| N3 | C12 | C7 | O | 78.8° | 60.7° |
| N3 | C12 | C7 | H7 | 161.5° | 179.1° |
| C12 | N3 | C10 | H10 | 169.1° | 58.3° |
| C12 | N3 | C10 | H10A | 70.9° | 178.2° |
| C12 | N3 | C11 | H11 | 2.5° | 60.0° |
| C12 | N3 | C11 | H11A | 122.5° | 180.0° |
| C12 | N3 | C11 | H11B | 117.5° | 60.0° |
| N3 | C12 | H12 | H12A | 119.8° | 120.0° |
| C8 | C7 | C12 | O | 122.7° | 119.9° |
| C8 | C7 | C12 | H7 | 117.6° | 120.0° |
| C8 | C7 | O | H7 | 117.8° | 120.2° |
| C8 | C7 | O | N2 | 156.5° | 155.1° |
| C7 | C8 | H8 | H8A | 119.8° | 120.1° |
| C7 | C8 | C9 | H9 | 177.7° | 62.3° |
| C7 | C8 | C9 | H9A | 57.8° | 177.6° |
| C8 | C7 | C12 | H12 | 163.9° | 179.2° |
| C8 | C7 | C12 | H12A | 76.1° | 60.9° |
| C12 | C7 | O | H7 | 117.8° | 120.1° |
| C12 | C7 | O | N2 | 79.0° | 85.1° |
| C12 | C7 | C8 | H8 | 63.5° | 177.6° |
| C12 | C7 | C8 | H8A | 176.5° | 62.4° |
| C7 | C12 | H12 | H12A | 119.7° | 119.9° |
| C7 | O | N2 | C6 | 169.7° | 180.0° |
| O | C7 | C8 | H8 | 173.8° | 57.7° |
| O | C7 | C8 | H8A | 53.8° | 177.7° |
| O | C7 | C12 | H12 | 41.2° | 59.3° |
| O | C7 | C12 | H12A | 161.2° | 179.2° |
| O | N2 | C6 | C5 | 179.6° | 180.0° |
| O | N2 | C6 | H6 | 0.4° | 0.0° |
| N2 | O | C7 | H7 | 38.7° | 35.0° |
| N2 | C6 | C5 | H6 | 180.0° | 180.0° |
| N2 | C6 | C5 | C13 | 177.8° | 180.0° |
| N2 | C6 | C5 | C4 | 1.5° | 0.2° |
| C6 | C5 | C13 | C4 | 179.3° | 179.7° |
| C6 | C5 | C13 | C14 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 179.4° | 179.8° |
| C6 | C5 | C4 | H4 | 0.6° | 0.2° |
| C6 | C5 | C13 | H13 | 0.0° | 0.3° |
| C5 | C13 | C14 | H13 | 180.0° | 179.7° |
| C13 | C5 | C4 | C3 | 0.1° | 0.0° |
| C5 | C13 | C14 | C2 | 0.6° | 0.6° |
| C13 | C5 | C4 | H4 | 179.8° | 180.0° |
| C13 | C5 | C6 | H6 | 2.2° | 0.0° |
| C5 | C13 | C14 | H14 | 179.4° | 180.0° |
| C4 | C5 | C13 | C14 | 0.7° | 0.3° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.6° | 0.0° |
| C5 | C4 | C3 | H3 | 179.4° | 180.0° |
| C4 | C5 | C6 | H6 | 178.5° | 179.8° |
| C4 | C5 | C13 | H13 | 179.3° | 180.0° |
| C13 | C14 | C2 | H14 | 180.0° | 179.4° |
| C13 | C14 | C2 | C3 | 0.1° | 0.6° |
| C13 | C14 | C2 | C1 | 179.9° | 179.7° |
| C4 | C3 | C2 | C14 | 0.7° | 0.3° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 179.5° | 180.0° |
| C14 | C2 | C3 | C1 | 179.7° | 179.6° |
| C14 | C2 | C1 | N1 | 3.1° | 0.3° |
| C14 | C2 | C1 | N4 | 177.0° | 179.7° |
| C14 | C2 | C3 | H3 | 179.3° | 179.7° |
| C2 | C14 | C13 | H13 | 179.4° | 179.7° |
| C3 | C2 | C1 | N1 | 176.6° | 180.0° |
| C3 | C2 | C1 | N4 | 3.3° | 0.0° |
| C2 | C3 | C4 | H4 | 179.4° | 179.9° |
| C3 | C2 | C14 | H14 | 179.9° | 180.0° |
| C2 | C1 | N1 | N4 | 179.9° | 180.0° |
| C2 | C1 | N1 | HN1 | 179.9° | 180.0° |
| C2 | C1 | N1 | HN1A | 0.1° | 0.1° |
| C1 | C2 | C3 | H3 | 0.5° | 0.1° |
| C2 | C1 | N4 | HN4 | 179.9° | 180.0° |
| C1 | C2 | C14 | H14 | 0.1° | 0.3° |
| C1 | N1 | HN1 | HN1A | 180.0° | 179.9° |
| N1 | C1 | N4 | HN4 | 0.0° | 0.0° |
| N4 | C1 | N1 | HN1 | 0.0° | 0.1° |
| N4 | C1 | N1 | HN1A | 180.0° | 180.0° |
| H3 | C3 | C4 | H4 | 0.6° | 0.0° |
| H7 | C7 | C8 | H8 | 54.1° | 62.5° |
| H7 | C7 | C8 | H8A | 65.9° | 57.6° |
| H7 | C7 | C12 | H12 | 78.5° | 60.9° |
| H7 | C7 | C12 | H12A | 41.5° | 59.1° |
| H8 | C8 | C9 | H9 | 62.3° | 57.7° |
| H8 | C8 | C9 | H9A | 177.7° | 62.4° |
| H8A | C8 | C9 | H9 | 57.7° | 177.8° |
| H8A | C8 | C9 | H9A | 62.2° | 57.7° |
| H9 | C9 | C10 | H10 | 64.1° | 179.2° |
| H9 | C9 | C10 | H10A | 55.9° | 59.2° |
| H9A | C9 | C10 | H10 | 55.9° | 59.1° |
| H9A | C9 | C10 | H10A | 175.9° | 60.9° |
| H11 | C11 | H11A | H11B | 120.0° | 120.0° |
| H13 | C13 | C14 | H14 | 0.6° | 0.3° |
