UFO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | C13 | sing | 1.51Å | 1.52Å | |
| C6 | C1 | doub | 1.39Å | 1.41Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N7 | C5 | sing | 1.40Å | 1.42Å | |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | N14 | sing | 1.47Å | 1.46Å | |
| N14 | HN14 | sing | 1.01Å | 1.00Å | |
| N14 | HN1A | sing | 1.01Å | 1.00Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C12 | N7 | sing | 1.47Å | 1.47Å | |
| N7 | C8 | sing | 1.47Å | 1.47Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | N10 | sing | 1.47Å | 1.46Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C6 | N10 | sing | 1.40Å | 1.42Å | |
| N10 | C11 | sing | 1.47Å | 1.45Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 119.2° | 120.0° |
| C3 | C2 | C13 | 117.6° | 120.0° |
| C2 | C3 | C4 | 120.6° | 120.0° |
| C2 | C3 | H3 | 119.7° | 119.9° |
| C1 | C2 | C13 | 123.3° | 120.0° |
| C2 | C1 | C6 | 120.2° | 120.4° |
| C2 | C1 | H1 | 119.9° | 119.8° |
| C2 | C13 | N14 | 113.3° | 109.5° |
| C2 | C13 | H13 | 108.2° | 109.4° |
| C2 | C13 | H13A | 107.3° | 109.5° |
| C6 | C1 | H1 | 119.9° | 119.7° |
| C1 | C6 | C5 | 120.2° | 119.5° |
| C1 | C6 | N10 | 122.0° | 117.9° |
| N7 | C5 | C4 | 121.4° | 118.0° |
| N7 | C5 | C6 | 119.3° | 122.4° |
| C5 | N7 | C12 | 122.6° | 111.0° |
| C5 | N7 | C8 | 120.7° | 112.2° |
| C4 | C5 | C6 | 119.2° | 119.6° |
| C5 | C4 | C3 | 120.6° | 120.4° |
| C5 | C4 | H4 | 119.7° | 119.8° |
| C5 | C6 | N10 | 117.7° | 122.5° |
| C3 | C4 | H4 | 119.7° | 119.8° |
| C4 | C3 | H3 | 119.7° | 120.0° |
| C13 | N14 | HN14 | 109.5° | 111.0° |
| C13 | N14 | HN1A | 109.4° | 111.0° |
| N14 | C13 | H13 | 108.2° | 109.5° |
| N14 | C13 | H13A | 107.3° | 109.5° |
| HN14 | N14 | HN1A | 109.5° | 111.0° |
| H13 | C13 | H13A | 112.6° | 109.4° |
| C12 | N7 | C8 | 116.6° | 111.0° |
| N7 | C12 | H12 | 109.5° | 109.5° |
| N7 | C12 | H12A | 109.4° | 109.5° |
| N7 | C12 | H12B | 109.5° | 109.4° |
| N7 | C8 | C9 | 108.8° | 108.3° |
| N7 | C8 | H8 | 109.7° | 109.7° |
| N7 | C8 | H8A | 109.8° | 109.7° |
| H12 | C12 | H12A | 109.5° | 109.5° |
| H12 | C12 | H12B | 109.5° | 109.5° |
| H12A | C12 | H12B | 109.5° | 109.5° |
| C9 | C8 | H8 | 109.7° | 109.7° |
| C9 | C8 | H8A | 109.8° | 109.7° |
| C8 | C9 | N10 | 107.9° | 108.0° |
| C8 | C9 | H9 | 110.0° | 109.7° |
| C8 | C9 | H9A | 110.4° | 109.7° |
| H8 | C8 | H8A | 108.9° | 109.7° |
| N10 | C9 | H9 | 110.0° | 110.1° |
| N10 | C9 | H9A | 110.3° | 109.6° |
| C9 | N10 | C6 | 120.0° | 111.9° |
| C9 | N10 | C11 | 118.0° | 111.0° |
| H9 | C9 | H9A | 108.3° | 109.8° |
| C6 | N10 | C11 | 122.0° | 110.6° |
| N10 | C11 | H11 | 109.5° | 109.5° |
| N10 | C11 | H11A | 109.5° | 109.5° |
| N10 | C11 | H11B | 109.5° | 109.6° |
| H11 | C11 | H11A | 109.4° | 109.4° |
| H11 | C11 | H11B | 109.5° | 109.4° |
| H11A | C11 | H11B | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | C13 | 179.7° | 179.7° |
| C3 | C2 | C1 | C6 | 0.5° | 0.3° |
| C3 | C2 | C1 | H1 | 179.5° | 179.8° |
| C2 | C3 | C4 | C5 | 0.2° | 0.5° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | H4 | 179.8° | 179.8° |
| C3 | C2 | C13 | N14 | 158.3° | 90.2° |
| C3 | C2 | C13 | H13 | 81.7° | 29.8° |
| C3 | C2 | C13 | H13A | 40.0° | 149.7° |
| C2 | C1 | C6 | H1 | 180.0° | 179.9° |
| C2 | C1 | C6 | C5 | 0.9° | 0.2° |
| C1 | C2 | C3 | C4 | 0.0° | 0.1° |
| C1 | C2 | C3 | H3 | 180.0° | 179.8° |
| C1 | C2 | C13 | N14 | 21.9° | 90.0° |
| C1 | C2 | C13 | H13 | 98.0° | 150.0° |
| C1 | C2 | C13 | H13A | 140.2° | 30.0° |
| C2 | C1 | C6 | N10 | 179.9° | 178.9° |
| C13 | C2 | C1 | C6 | 179.7° | 180.0° |
| C13 | C2 | C1 | H1 | 0.3° | 0.1° |
| C13 | C2 | C3 | C4 | 179.8° | 179.6° |
| C13 | C2 | C3 | H3 | 0.2° | 0.4° |
| C2 | C13 | N14 | H13 | 120.0° | 120.0° |
| C2 | C13 | N14 | H13A | 118.3° | 120.0° |
| C2 | C13 | N14 | HN14 | 84.8° | 180.0° |
| C2 | C13 | N14 | HN1A | 35.2° | 56.1° |
| C2 | C13 | H13 | H13A | 118.5° | 119.9° |
| C1 | C6 | C5 | N7 | 179.0° | 179.2° |
| C1 | C6 | C5 | C4 | 0.7° | 0.1° |
| C1 | C6 | C5 | N10 | 179.0° | 179.1° |
| C1 | C6 | N10 | C9 | 158.2° | 161.7° |
| C1 | C6 | N10 | C11 | 20.0° | 37.5° |
| H1 | C1 | C6 | C5 | 179.1° | 179.8° |
| H1 | C1 | C6 | N10 | 0.1° | 1.0° |
| N7 | C5 | C4 | C6 | 179.6° | 179.1° |
| N7 | C5 | C4 | C3 | 179.5° | 179.6° |
| N7 | C5 | C4 | H4 | 0.5° | 1.1° |
| C5 | N7 | C12 | C8 | 179.6° | 125.4° |
| C5 | N7 | C12 | H12 | 90.1° | 53.3° |
| C5 | N7 | C12 | H12A | 149.9° | 173.3° |
| C5 | N7 | C12 | H12B | 29.9° | 66.7° |
| C5 | N7 | C8 | C9 | 40.2° | 49.4° |
| C5 | N7 | C8 | H8 | 79.8° | 169.1° |
| C5 | N7 | C8 | H8A | 160.4° | 70.3° |
| N7 | C5 | C6 | N10 | 0.1° | 1.7° |
| C5 | C4 | C3 | H4 | 180.0° | 179.3° |
| C5 | C4 | C3 | H3 | 179.8° | 179.5° |
| C4 | C5 | N7 | C12 | 11.9° | 38.0° |
| C4 | C5 | N7 | C8 | 168.5° | 162.8° |
| C4 | C5 | C6 | N10 | 179.7° | 179.2° |
| C6 | C5 | C4 | C3 | 0.1° | 0.5° |
| C6 | C5 | C4 | H4 | 179.9° | 179.8° |
| C6 | C5 | N7 | C12 | 167.7° | 142.9° |
| C6 | C5 | N7 | C8 | 11.9° | 18.1° |
| C5 | C6 | N10 | C9 | 20.8° | 19.2° |
| C5 | C6 | N10 | C11 | 161.0° | 143.4° |
| H4 | C4 | C3 | H3 | 0.2° | 0.2° |
| C13 | N14 | HN14 | HN1A | 120.0° | 123.9° |
| N14 | C13 | H13 | H13A | 118.4° | 120.1° |
| HN14 | N14 | C13 | H13 | 155.3° | 60.0° |
| HN14 | N14 | C13 | H13A | 33.6° | 60.0° |
| HN1A | N14 | C13 | H13 | 84.7° | 176.1° |
| HN1A | N14 | C13 | H13A | 153.6° | 63.9° |
| N7 | C12 | H12 | H12A | 120.0° | 120.0° |
| N7 | C12 | H12 | H12B | 120.0° | 120.0° |
| N7 | C12 | H12A | H12B | 120.0° | 120.0° |
| C12 | N7 | C8 | C9 | 139.5° | 174.2° |
| C12 | N7 | C8 | H8 | 100.5° | 66.1° |
| C12 | N7 | C8 | H8A | 19.2° | 54.5° |
| C8 | N7 | C12 | H12 | 89.5° | 72.1° |
| C8 | N7 | C12 | H12A | 30.5° | 47.9° |
| C8 | N7 | C12 | H12B | 150.5° | 167.9° |
| N7 | C8 | C9 | H8 | 120.0° | 119.7° |
| N7 | C8 | C9 | H8A | 120.3° | 119.7° |
| N7 | C8 | H8 | H8A | 120.3° | 120.6° |
| N7 | C8 | C9 | N10 | 55.2° | 67.1° |
| N7 | C8 | C9 | H9 | 175.2° | 52.9° |
| N7 | C8 | C9 | H9A | 65.4° | 173.6° |
| H12 | C12 | H12A | H12B | 120.0° | 120.0° |
| C9 | C8 | H8 | H8A | 120.3° | 120.5° |
| C8 | C9 | N10 | H9 | 120.0° | 119.7° |
| C8 | C9 | N10 | H9A | 120.6° | 119.5° |
| C8 | C9 | H9 | H9A | 120.7° | 120.6° |
| C8 | C9 | N10 | C6 | 48.9° | 50.3° |
| C8 | C9 | N10 | C11 | 132.8° | 174.3° |
| H8 | C8 | C9 | N10 | 64.9° | 173.3° |
| H8 | C8 | C9 | H9 | 55.1° | 66.8° |
| H8 | C8 | C9 | H9A | 174.5° | 53.9° |
| H8A | C8 | C9 | N10 | 175.4° | 52.7° |
| H8A | C8 | C9 | H9 | 64.6° | 172.7° |
| H8A | C8 | C9 | H9A | 54.8° | 66.7° |
| N10 | C9 | H9 | H9A | 120.6° | 120.7° |
| C9 | N10 | C6 | C11 | 178.2° | 124.2° |
| C9 | N10 | C11 | H11 | 161.7° | 52.7° |
| C9 | N10 | C11 | H11A | 78.3° | 172.7° |
| C9 | N10 | C11 | H11B | 41.7° | 67.3° |
| H9 | C9 | N10 | C6 | 168.9° | 69.5° |
| H9 | C9 | N10 | C11 | 12.8° | 54.5° |
| H9A | C9 | N10 | C6 | 71.7° | 169.7° |
| H9A | C9 | N10 | C11 | 106.6° | 66.3° |
| C6 | N10 | C11 | H11 | 16.5° | 177.5° |
| C6 | N10 | C11 | H11A | 103.5° | 62.6° |
| C6 | N10 | C11 | H11B | 136.5° | 57.4° |
| N10 | C11 | H11 | H11A | 120.0° | 120.0° |
| N10 | C11 | H11 | H11B | 120.0° | 120.1° |
| N10 | C11 | H11A | H11B | 120.0° | 120.1° |
| H11 | C11 | H11A | H11B | 120.0° | 119.9° |
