UTV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | O | sing | 1.36Å | 1.38Å | |
| F1 | C10 | sing | 1.40Å | 1.35Å | |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C10 | O | sing | 1.43Å | 1.34Å | |
| C10 | F | sing | 1.40Å | 1.34Å | |
| C3 | N | sing | 1.47Å | 1.46Å | |
| C | C1 | sing | 1.53Å | 1.53Å | |
| N | C1 | sing | 1.47Å | 1.49Å | |
| N | C11 | sing | 1.39Å | 1.41Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C17 | sing | 1.51Å | 1.59Å | |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C16 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.47Å | 1.46Å | |
| C17 | O1 | doub | 1.21Å | 1.21Å | |
| C16 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | C8 | 120.3° | 120.0° |
| C7 | C6 | C5 | 120.2° | 120.1° |
| C7 | C6 | H2 | 119.9° | 119.9° |
| C6 | C7 | H3 | 119.9° | 120.0° |
| C7 | C8 | C9 | 119.3° | 119.9° |
| C8 | C7 | H3 | 119.9° | 120.0° |
| C7 | C8 | H4 | 120.4° | 120.1° |
| C6 | C5 | C4 | 120.9° | 120.0° |
| C6 | C5 | H1 | 119.6° | 120.0° |
| C5 | C6 | H2 | 119.9° | 120.0° |
| C8 | C9 | C4 | 121.1° | 119.9° |
| C8 | C9 | O | 123.3° | 120.1° |
| C9 | C8 | H4 | 120.4° | 120.0° |
| C5 | C4 | C9 | 118.2° | 119.9° |
| C5 | C4 | C3 | 121.4° | 120.0° |
| C4 | C5 | H1 | 119.6° | 120.0° |
| C4 | C9 | O | 114.9° | 120.0° |
| C9 | C4 | C3 | 120.3° | 120.0° |
| C9 | O | C10 | 119.5° | 117.0° |
| F1 | C10 | O | 113.2° | 109.5° |
| F1 | C10 | F | 105.1° | 109.4° |
| F1 | C10 | H5 | 112.3° | 109.5° |
| C4 | C3 | N | 114.8° | 109.5° |
| C4 | C3 | H16 | 108.1° | 109.5° |
| C4 | C3 | H17 | 108.1° | 109.5° |
| O | C10 | F | 100.5° | 109.5° |
| O | C10 | H5 | 112.5° | 109.5° |
| F | C10 | H5 | 112.5° | 109.4° |
| C3 | N | C1 | 123.5° | 111.0° |
| C3 | N | C11 | 122.9° | 111.0° |
| N | C3 | H16 | 108.1° | 109.5° |
| N | C3 | H17 | 108.1° | 109.5° |
| C | C1 | N | 111.6° | 110.3° |
| C | C1 | C2 | 111.1° | 110.2° |
| C | C1 | C17 | 111.7° | 110.2° |
| C1 | C | H11 | 109.5° | 109.5° |
| C1 | C | H12 | 109.4° | 109.4° |
| C1 | C | H13 | 109.4° | 109.5° |
| C1 | N | C11 | 111.0° | 109.2° |
| N | C1 | C2 | 111.3° | 110.2° |
| N | C1 | C17 | 100.6° | 105.6° |
| N | C11 | C12 | 128.1° | 130.0° |
| N | C11 | C16 | 111.5° | 110.9° |
| C2 | C1 | C17 | 110.3° | 110.2° |
| C1 | C2 | H8 | 109.5° | 109.4° |
| C1 | C2 | H9 | 109.5° | 109.5° |
| C1 | C2 | H10 | 109.5° | 109.5° |
| C1 | C17 | C16 | 107.6° | 105.4° |
| C1 | C17 | O1 | 124.5° | 127.3° |
| C12 | C11 | C16 | 120.4° | 119.1° |
| C11 | C12 | C13 | 118.8° | 120.3° |
| C11 | C12 | H15 | 120.6° | 119.9° |
| C11 | C16 | C17 | 108.1° | 108.9° |
| C11 | C16 | C15 | 120.4° | 119.9° |
| C12 | C13 | C14 | 120.8° | 120.6° |
| C12 | C13 | H6 | 119.6° | 119.7° |
| C13 | C12 | H15 | 120.6° | 119.8° |
| C16 | C17 | O1 | 127.9° | 127.3° |
| C17 | C16 | C15 | 131.5° | 131.2° |
| C16 | C15 | C14 | 118.9° | 119.9° |
| C16 | C15 | H7 | 120.5° | 120.0° |
| C13 | C14 | C15 | 120.7° | 120.2° |
| C14 | C13 | H6 | 119.6° | 119.7° |
| C13 | C14 | H14 | 119.7° | 120.0° |
| C14 | C15 | H7 | 120.5° | 120.1° |
| C15 | C14 | H14 | 119.7° | 119.8° |
| H8 | C2 | H9 | 109.4° | 109.5° |
| H8 | C2 | H10 | 109.5° | 109.4° |
| H9 | C2 | H10 | 109.4° | 109.5° |
| H11 | C | H12 | 109.5° | 109.4° |
| H11 | C | H13 | 109.4° | 109.5° |
| H12 | C | H13 | 109.5° | 109.4° |
| H16 | C3 | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | C8 | H3 | 180.0° | 179.9° |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 1.9° | 0.2° |
| C7 | C6 | C5 | C4 | 1.6° | 0.0° |
| C7 | C6 | C5 | H1 | 178.3° | 180.0° |
| C6 | C7 | C8 | H4 | 178.1° | 180.0° |
| C8 | C7 | C6 | C5 | 0.7° | 0.1° |
| C7 | C8 | C9 | H4 | 180.0° | 179.8° |
| C7 | C8 | C9 | C4 | 3.5° | 0.4° |
| C7 | C8 | C9 | O | 165.9° | 180.0° |
| C8 | C7 | C6 | H2 | 179.3° | 179.9° |
| C6 | C5 | C4 | H1 | 180.0° | 180.0° |
| C6 | C5 | C4 | C9 | 0.1° | 0.3° |
| C6 | C5 | C4 | C3 | 176.6° | 180.0° |
| C5 | C6 | C7 | H3 | 179.3° | 180.0° |
| C8 | C9 | C4 | C5 | 2.5° | 0.5° |
| C8 | C9 | C4 | O | 170.2° | 179.5° |
| C8 | C9 | C4 | C3 | 179.3° | 179.8° |
| C8 | C9 | O | C10 | 58.3° | 0.0° |
| C9 | C8 | C7 | H3 | 178.1° | 179.7° |
| C5 | C4 | C9 | C3 | 176.8° | 179.8° |
| C5 | C4 | C9 | O | 167.7° | 180.0° |
| C5 | C4 | C3 | N | 44.2° | 100.0° |
| C4 | C5 | C6 | H2 | 178.4° | 180.0° |
| C5 | C4 | C3 | H16 | 165.0° | 20.0° |
| C5 | C4 | C3 | H17 | 76.5° | 140.0° |
| C4 | C9 | O | C10 | 131.7° | 179.5° |
| C9 | C4 | C3 | N | 132.4° | 80.3° |
| C9 | C4 | C5 | H1 | 179.9° | 179.7° |
| C4 | C9 | C8 | H4 | 176.5° | 179.7° |
| C9 | C4 | C3 | H16 | 11.6° | 159.7° |
| C9 | C4 | C3 | H17 | 106.8° | 39.8° |
| C9 | O | C10 | F1 | 93.7° | 60.0° |
| O | C9 | C4 | C3 | 9.1° | 0.2° |
| C9 | O | C10 | F | 154.8° | 60.0° |
| O | C9 | C8 | H4 | 14.1° | 0.2° |
| C9 | O | C10 | H5 | 34.9° | 180.0° |
| F1 | C10 | O | F | 111.6° | 120.0° |
| F1 | C10 | O | H5 | 128.6° | 120.0° |
| F1 | C10 | F | H5 | 122.5° | 120.0° |
| C4 | C3 | N | H16 | 120.8° | 120.0° |
| C4 | C3 | N | H17 | 120.8° | 120.1° |
| C4 | C3 | N | C1 | 127.2° | 170.0° |
| C4 | C3 | N | C11 | 72.6° | 68.3° |
| C3 | C4 | C5 | H1 | 3.4° | 0.0° |
| C4 | C3 | H16 | H17 | 117.6° | 120.0° |
| O | C10 | F | H5 | 119.8° | 120.0° |
| C3 | N | C1 | C | 68.1° | 118.2° |
| C3 | N | C1 | C11 | 162.3° | 122.7° |
| C3 | N | C1 | C2 | 56.5° | 3.7° |
| C3 | N | C1 | C17 | 173.3° | 122.7° |
| C3 | N | C11 | C12 | 8.2° | 57.3° |
| C3 | N | C11 | C16 | 171.2° | 122.7° |
| N | C3 | H16 | H17 | 117.6° | 120.0° |
| C | C1 | N | C2 | 124.6° | 121.9° |
| C | C1 | N | C17 | 118.6° | 119.1° |
| C | C1 | N | C11 | 129.6° | 119.1° |
| C | C1 | C2 | C17 | 124.4° | 121.9° |
| C | C1 | C17 | C16 | 128.2° | 119.1° |
| C | C1 | C17 | O1 | 51.3° | 60.5° |
| C | C1 | C2 | H8 | 180.0° | 179.6° |
| C | C1 | C2 | H9 | 60.0° | 59.6° |
| C | C1 | C2 | H10 | 60.0° | 60.5° |
| C1 | C | H11 | H12 | 120.0° | 119.9° |
| C1 | C | H11 | H13 | 120.0° | 120.1° |
| C1 | C | H12 | H13 | 120.0° | 120.0° |
| N | C1 | C2 | C17 | 110.7° | 116.2° |
| C1 | N | C11 | C12 | 170.6° | 180.0° |
| C1 | N | C11 | C16 | 8.8° | 0.0° |
| N | C1 | C17 | C16 | 9.7° | 0.0° |
| N | C1 | C17 | O1 | 169.8° | 179.7° |
| N | C1 | C2 | H8 | 55.1° | 57.6° |
| N | C1 | C2 | H9 | 64.9° | 62.4° |
| N | C1 | C2 | H10 | 175.1° | 177.6° |
| N | C1 | C | H11 | 180.0° | 61.1° |
| N | C1 | C | H12 | 60.0° | 58.8° |
| N | C1 | C | H13 | 60.0° | 178.7° |
| C1 | N | C3 | H16 | 112.0° | 70.0° |
| C1 | N | C3 | H17 | 6.4° | 50.0° |
| C11 | N | C1 | C2 | 105.8° | 119.1° |
| C11 | N | C1 | C17 | 11.0° | 0.0° |
| N | C11 | C12 | C16 | 179.4° | 180.0° |
| N | C11 | C12 | C13 | 179.3° | 180.0° |
| N | C11 | C16 | C17 | 1.8° | 0.0° |
| N | C11 | C16 | C15 | 180.0° | 179.7° |
| N | C11 | C12 | H15 | 0.7° | 0.0° |
| C11 | N | C3 | H16 | 48.2° | 51.7° |
| C11 | N | C3 | H17 | 166.6° | 171.7° |
| C2 | C1 | C17 | C16 | 107.8° | 119.1° |
| C2 | C1 | C17 | O1 | 72.7° | 61.3° |
| C1 | C2 | H8 | H9 | 120.0° | 120.0° |
| C1 | C2 | H8 | H10 | 120.0° | 120.0° |
| C1 | C2 | H9 | H10 | 120.0° | 120.1° |
| C2 | C1 | C | H11 | 55.3° | 60.8° |
| C2 | C1 | C | H12 | 64.7° | 179.3° |
| C2 | C1 | C | H13 | 175.2° | 59.3° |
| C1 | C17 | C16 | C11 | 5.3° | 0.0° |
| C1 | C17 | C16 | O1 | 179.5° | 179.6° |
| C1 | C17 | C16 | C15 | 172.6° | 179.7° |
| C17 | C1 | C2 | H8 | 55.6° | 58.6° |
| C17 | C1 | C2 | H9 | 175.6° | 178.5° |
| C17 | C1 | C2 | H10 | 64.4° | 61.4° |
| C17 | C1 | C | H11 | 68.3° | 177.4° |
| C17 | C1 | C | H12 | 171.7° | 57.4° |
| C17 | C1 | C | H13 | 51.7° | 62.5° |
| C11 | C12 | C13 | H15 | 180.0° | 180.0° |
| C12 | C11 | C16 | C17 | 177.7° | 180.0° |
| C12 | C11 | C16 | C15 | 0.5° | 0.2° |
| C11 | C12 | C13 | C14 | 0.9° | 0.1° |
| C11 | C12 | C13 | H6 | 179.1° | 179.8° |
| C16 | C11 | C12 | C13 | 0.0° | 0.1° |
| C11 | C16 | C17 | C15 | 177.9° | 179.7° |
| C11 | C16 | C17 | O1 | 174.2° | 179.7° |
| C11 | C16 | C15 | C14 | 0.3° | 0.5° |
| C11 | C16 | C15 | H7 | 179.7° | 180.0° |
| C16 | C11 | C12 | H15 | 180.0° | 180.0° |
| C12 | C13 | C14 | H6 | 180.0° | 179.8° |
| C12 | C13 | C14 | C15 | 1.1° | 0.2° |
| C12 | C13 | C14 | H14 | 178.9° | 179.7° |
| C17 | C16 | C15 | C14 | 177.4° | 179.8° |
| C17 | C16 | C15 | H7 | 2.6° | 0.3° |
| O1 | C17 | C16 | C15 | 7.9° | 0.1° |
| C16 | C15 | C14 | C13 | 0.5° | 0.5° |
| C16 | C15 | C14 | H7 | 180.0° | 179.5° |
| C16 | C15 | C14 | H14 | 179.5° | 179.4° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | H7 | 179.5° | 180.0° |
| C14 | C13 | C12 | H15 | 179.1° | 179.9° |
| C15 | C14 | C13 | H6 | 178.9° | 180.0° |
| H1 | C5 | C6 | H2 | 1.7° | 0.0° |
| H2 | C6 | C7 | H3 | 0.7° | 0.0° |
| H3 | C7 | C8 | H4 | 1.9° | 0.1° |
| H6 | C13 | C14 | H14 | 1.1° | 0.1° |
| H6 | C13 | C12 | H15 | 0.9° | 0.2° |
| H7 | C15 | C14 | H14 | 0.5° | 0.1° |
| H8 | C2 | H9 | H10 | 120.0° | 120.0° |
| H11 | C | H12 | H13 | 120.0° | 120.0° |
