UUX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.41Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C17 | sing | 1.51Å | 1.51Å | |
| C17 | C16 | sing | 1.51Å | 1.54Å | |
| C18 | C15 | sing | 1.51Å | 1.56Å | |
| C16 | N06 | doub | 1.32Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.44Å | Aromatic |
| N06 | C07 | sing | 1.32Å | 1.40Å | Aromatic |
| C15 | C09 | doub | 1.40Å | 1.41Å | Aromatic |
| C14 | C11 | sing | 1.53Å | 1.51Å | |
| C07 | C11 | sing | 1.51Å | 1.53Å | |
| C07 | C08 | doub | 1.39Å | 1.44Å | Aromatic |
| C09 | C08 | sing | 1.41Å | 1.42Å | Aromatic |
| C09 | C10 | sing | 1.48Å | 1.43Å | |
| C11 | C13 | sing | 1.53Å | 1.51Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C08 | C02 | sing | 1.48Å | 1.53Å | |
| C10 | C19 | doub | 1.39Å | 1.42Å | Aromatic |
| C10 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C02 | N01 | doub | 1.32Å | 1.35Å | Aromatic |
| C02 | N03 | sing | 1.36Å | 1.37Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| N01 | N05 | sing | 1.28Å | 1.37Å | Aromatic |
| N03 | N04 | sing | 1.41Å | 1.36Å | Aromatic |
| N05 | N04 | doub | 1.29Å | 1.36Å | Aromatic |
| N03 | H1 | sing | 0.97Å | 1.00Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| C26 | H16 | sing | 1.08Å | 1.08Å | |
| C27 | H17 | sing | 1.08Å | 1.08Å | |
| C28 | H18 | sing | 1.08Å | 1.08Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C28 | C29 | 120.8° | 120.0° |
| C28 | C27 | C26 | 119.4° | 120.0° |
| C28 | C27 | H17 | 120.3° | 120.0° |
| C27 | C28 | H18 | 119.6° | 120.0° |
| C28 | C29 | C24 | 120.7° | 120.0° |
| C29 | C28 | H18 | 119.6° | 120.1° |
| C28 | C29 | H25 | 119.6° | 120.0° |
| C27 | C26 | C25 | 119.0° | 120.0° |
| C27 | C26 | H16 | 120.5° | 120.0° |
| C26 | C27 | H17 | 120.3° | 120.0° |
| C29 | C24 | C25 | 118.3° | 120.0° |
| C29 | C24 | C17 | 120.0° | 120.0° |
| C24 | C29 | H25 | 119.6° | 120.0° |
| C26 | C25 | C24 | 121.8° | 120.0° |
| C26 | C25 | H15 | 119.1° | 120.0° |
| C25 | C26 | H16 | 120.5° | 120.0° |
| C25 | C24 | C17 | 121.8° | 120.0° |
| C24 | C25 | H15 | 119.1° | 120.0° |
| C24 | C17 | C16 | 109.1° | 109.5° |
| C24 | C17 | H5 | 109.6° | 109.5° |
| C24 | C17 | H6 | 109.6° | 109.5° |
| C17 | C16 | N06 | 116.3° | 119.4° |
| C17 | C16 | C15 | 121.6° | 119.4° |
| C16 | C17 | H5 | 109.6° | 109.5° |
| C16 | C17 | H6 | 109.6° | 109.4° |
| C18 | C15 | C16 | 119.0° | 120.4° |
| C18 | C15 | C09 | 123.0° | 120.4° |
| C15 | C18 | H7 | 109.5° | 109.5° |
| C15 | C18 | H8 | 109.5° | 109.4° |
| C15 | C18 | H9 | 109.5° | 109.4° |
| N06 | C16 | C15 | 122.0° | 121.2° |
| C16 | N06 | C07 | 121.2° | 122.2° |
| C16 | C15 | C09 | 117.9° | 119.1° |
| N06 | C07 | C11 | 114.5° | 119.7° |
| N06 | C07 | C08 | 117.4° | 120.7° |
| C15 | C09 | C08 | 119.2° | 118.1° |
| C15 | C09 | C10 | 122.9° | 120.9° |
| C14 | C11 | C07 | 112.0° | 109.5° |
| C14 | C11 | C13 | 110.1° | 109.5° |
| C14 | C11 | C12 | 107.4° | 109.5° |
| C11 | C14 | H22 | 109.5° | 109.5° |
| C11 | C14 | H23 | 109.5° | 109.5° |
| C11 | C14 | H24 | 109.5° | 109.5° |
| C11 | C07 | C08 | 128.0° | 119.6° |
| C07 | C11 | C13 | 107.8° | 109.5° |
| C07 | C11 | C12 | 110.8° | 109.5° |
| C07 | C08 | C09 | 122.1° | 118.7° |
| C07 | C08 | C02 | 123.2° | 120.7° |
| C08 | C09 | C10 | 117.8° | 121.0° |
| C09 | C08 | C02 | 114.6° | 120.6° |
| C09 | C10 | C19 | 120.0° | 120.1° |
| C09 | C10 | C23 | 121.5° | 120.1° |
| C13 | C11 | C12 | 108.6° | 109.4° |
| C11 | C13 | H2 | 109.5° | 109.5° |
| C11 | C13 | H3 | 109.5° | 109.4° |
| C11 | C13 | H4 | 109.5° | 109.5° |
| C11 | C12 | H19 | 109.5° | 109.4° |
| C11 | C12 | H20 | 109.5° | 109.5° |
| C11 | C12 | H21 | 109.5° | 109.5° |
| C08 | C02 | N01 | 127.0° | 126.5° |
| C08 | C02 | N03 | 123.6° | 126.5° |
| C19 | C10 | C23 | 118.5° | 119.8° |
| C10 | C19 | C20 | 120.6° | 119.8° |
| C10 | C19 | H10 | 119.7° | 120.1° |
| C10 | C23 | C22 | 120.8° | 119.9° |
| C10 | C23 | H14 | 119.6° | 120.1° |
| C19 | C20 | C21 | 120.9° | 120.2° |
| C20 | C19 | H10 | 119.7° | 120.1° |
| C19 | C20 | H11 | 119.6° | 119.9° |
| C23 | C22 | C21 | 120.1° | 120.1° |
| C23 | C22 | H13 | 120.0° | 119.9° |
| C22 | C23 | H14 | 119.6° | 120.0° |
| C20 | C21 | C22 | 119.1° | 120.2° |
| C21 | C20 | H11 | 119.6° | 119.9° |
| C20 | C21 | H12 | 120.4° | 119.8° |
| N01 | C02 | N03 | 109.4° | 107.0° |
| C02 | N01 | N05 | 106.3° | 110.5° |
| C02 | N03 | N04 | 107.1° | 105.2° |
| C02 | N03 | H1 | 126.4° | 127.4° |
| C22 | C21 | H12 | 120.4° | 119.9° |
| C21 | C22 | H13 | 120.0° | 119.9° |
| N01 | N05 | N04 | 109.4° | 110.4° |
| N03 | N04 | N05 | 107.8° | 106.9° |
| N04 | N03 | H1 | 126.5° | 127.4° |
| H2 | C13 | H3 | 109.5° | 109.5° |
| H2 | C13 | H4 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H5 | C17 | H6 | 109.5° | 109.5° |
| H7 | C18 | H8 | 109.4° | 109.5° |
| H7 | C18 | H9 | 109.4° | 109.5° |
| H8 | C18 | H9 | 109.5° | 109.5° |
| H19 | C12 | H20 | 109.4° | 109.5° |
| H19 | C12 | H21 | 109.5° | 109.4° |
| H20 | C12 | H21 | 109.4° | 109.5° |
| H22 | C14 | H23 | 109.5° | 109.5° |
| H22 | C14 | H24 | 109.4° | 109.5° |
| H23 | C14 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C28 | C29 | H18 | 180.0° | 179.7° |
| C28 | C27 | C26 | H17 | 180.0° | 180.0° |
| C27 | C28 | C29 | C24 | 0.1° | 0.6° |
| C28 | C27 | C26 | C25 | 0.0° | 0.0° |
| C28 | C27 | C26 | H16 | 180.0° | 180.0° |
| C27 | C28 | C29 | H25 | 180.0° | 180.0° |
| C29 | C28 | C27 | C26 | 0.4° | 0.3° |
| C28 | C29 | C24 | H25 | 180.0° | 179.4° |
| C28 | C29 | C24 | C25 | 1.0° | 0.6° |
| C28 | C29 | C24 | C17 | 179.7° | 179.6° |
| C29 | C28 | C27 | H17 | 179.6° | 179.7° |
| C27 | C26 | C25 | H16 | 180.0° | 179.9° |
| C27 | C26 | C25 | C24 | 0.9° | 0.0° |
| C27 | C26 | C25 | H15 | 179.1° | 180.0° |
| C26 | C27 | C28 | H18 | 179.5° | 180.0° |
| C29 | C24 | C25 | C26 | 1.4° | 0.3° |
| C29 | C24 | C25 | C17 | 178.7° | 179.8° |
| C29 | C24 | C17 | C16 | 101.1° | 87.5° |
| C29 | C24 | C17 | H5 | 139.0° | 152.4° |
| C29 | C24 | C17 | H6 | 18.9° | 32.4° |
| C29 | C24 | C25 | H15 | 178.6° | 179.7° |
| C24 | C29 | C28 | H18 | 180.0° | 179.7° |
| C26 | C25 | C24 | H15 | 180.0° | 180.0° |
| C26 | C25 | C24 | C17 | 179.9° | 179.9° |
| C25 | C26 | C27 | H17 | 180.0° | 180.0° |
| C25 | C24 | C17 | C16 | 80.2° | 92.7° |
| C25 | C24 | C17 | H5 | 39.7° | 27.3° |
| C25 | C24 | C17 | H6 | 159.8° | 147.3° |
| C24 | C25 | C26 | H16 | 179.1° | 179.9° |
| C25 | C24 | C29 | H25 | 179.1° | 179.9° |
| C24 | C17 | C16 | H5 | 119.9° | 120.0° |
| C24 | C17 | C16 | H6 | 119.9° | 120.0° |
| C24 | C17 | C16 | N06 | 2.6° | 84.9° |
| C24 | C17 | C16 | C15 | 175.8° | 95.2° |
| C24 | C17 | H5 | H6 | 120.2° | 120.0° |
| C17 | C24 | C25 | H15 | 0.1° | 0.1° |
| C17 | C24 | C29 | H25 | 0.3° | 0.3° |
| C17 | C16 | C15 | C18 | 1.3° | 0.0° |
| C17 | C16 | N06 | C15 | 178.4° | 180.0° |
| C17 | C16 | N06 | C07 | 179.9° | 180.0° |
| C17 | C16 | C15 | C09 | 179.2° | 179.8° |
| C16 | C17 | H5 | H6 | 120.2° | 120.0° |
| C18 | C15 | C16 | N06 | 179.7° | 180.0° |
| C18 | C15 | C16 | C09 | 179.5° | 179.8° |
| C18 | C15 | C09 | C08 | 177.8° | 180.0° |
| C18 | C15 | C09 | C10 | 1.3° | 0.2° |
| C15 | C18 | H7 | H8 | 120.0° | 119.9° |
| C15 | C18 | H7 | H9 | 120.0° | 120.0° |
| C15 | C18 | H8 | H9 | 120.0° | 119.9° |
| N06 | C16 | C15 | C09 | 0.8° | 0.2° |
| C16 | N06 | C07 | C11 | 179.4° | 180.0° |
| C16 | N06 | C07 | C08 | 0.0° | 0.3° |
| N06 | C16 | C17 | H5 | 117.3° | 35.2° |
| N06 | C16 | C17 | H6 | 122.6° | 155.2° |
| C15 | C16 | N06 | C07 | 1.7° | 0.0° |
| C16 | C15 | C09 | C08 | 1.7° | 0.2° |
| C16 | C15 | C09 | C10 | 178.1° | 180.0° |
| C15 | C16 | C17 | H5 | 64.2° | 144.8° |
| C15 | C16 | C17 | H6 | 55.9° | 24.8° |
| C16 | C15 | C18 | H7 | 90.2° | 84.4° |
| C16 | C15 | C18 | H8 | 149.8° | 35.6° |
| C16 | C15 | C18 | H9 | 29.7° | 155.5° |
| N06 | C07 | C11 | C14 | 12.6° | 124.4° |
| N06 | C07 | C11 | C08 | 179.3° | 179.7° |
| N06 | C07 | C08 | C09 | 2.6° | 0.3° |
| N06 | C07 | C11 | C13 | 108.7° | 115.6° |
| N06 | C07 | C11 | C12 | 132.5° | 4.4° |
| N06 | C07 | C08 | C02 | 179.3° | 179.7° |
| C15 | C09 | C08 | C07 | 3.4° | 0.0° |
| C15 | C09 | C08 | C10 | 176.6° | 179.7° |
| C15 | C09 | C08 | C02 | 179.6° | 179.9° |
| C15 | C09 | C10 | C19 | 73.0° | 95.2° |
| C15 | C09 | C10 | C23 | 107.9° | 85.1° |
| C09 | C15 | C18 | H7 | 90.3° | 95.8° |
| C09 | C15 | C18 | H8 | 29.7° | 144.2° |
| C09 | C15 | C18 | H9 | 149.7° | 24.3° |
| C14 | C11 | C07 | C13 | 121.3° | 120.0° |
| C14 | C11 | C07 | C12 | 119.9° | 120.0° |
| C14 | C11 | C07 | C08 | 168.2° | 56.0° |
| C14 | C11 | C13 | C12 | 117.4° | 120.0° |
| C14 | C11 | C13 | H2 | 180.0° | 158.4° |
| C14 | C11 | C13 | H3 | 60.0° | 38.4° |
| C14 | C11 | C13 | H4 | 60.0° | 81.5° |
| C14 | C11 | C12 | H19 | 180.0° | 60.1° |
| C14 | C11 | C12 | H20 | 60.0° | 60.0° |
| C14 | C11 | C12 | H21 | 60.0° | 180.0° |
| C11 | C14 | H22 | H23 | 120.0° | 120.0° |
| C11 | C14 | H22 | H24 | 120.0° | 120.0° |
| C11 | C14 | H23 | H24 | 120.0° | 120.0° |
| C11 | C07 | C08 | C09 | 176.7° | 179.9° |
| C07 | C11 | C13 | C12 | 120.1° | 120.0° |
| C11 | C07 | C08 | C02 | 0.0° | 0.0° |
| C07 | C11 | C13 | H2 | 57.5° | 81.5° |
| C07 | C11 | C13 | H3 | 62.5° | 158.4° |
| C07 | C11 | C13 | H4 | 177.6° | 38.5° |
| C07 | C11 | C12 | H19 | 57.4° | 59.9° |
| C07 | C11 | C12 | H20 | 177.4° | 180.0° |
| C07 | C11 | C12 | H21 | 62.7° | 60.0° |
| C07 | C11 | C14 | H22 | 180.0° | 33.1° |
| C07 | C11 | C14 | H23 | 60.0° | 153.2° |
| C07 | C11 | C14 | H24 | 60.0° | 86.9° |
| C07 | C08 | C09 | C02 | 177.0° | 180.0° |
| C07 | C08 | C09 | C10 | 180.0° | 179.7° |
| C08 | C07 | C11 | C13 | 70.5° | 64.1° |
| C08 | C07 | C11 | C12 | 48.2° | 176.0° |
| C07 | C08 | C02 | N01 | 76.8° | 6.3° |
| C07 | C08 | C02 | N03 | 101.8° | 174.0° |
| C08 | C09 | C10 | C19 | 103.5° | 85.0° |
| C08 | C09 | C10 | C23 | 75.7° | 94.6° |
| C09 | C08 | C02 | N01 | 100.2° | 173.6° |
| C09 | C08 | C02 | N03 | 81.2° | 6.1° |
| C10 | C09 | C08 | C02 | 3.0° | 0.3° |
| C09 | C10 | C19 | C23 | 179.2° | 179.6° |
| C09 | C10 | C19 | C20 | 179.1° | 179.7° |
| C09 | C10 | C23 | C22 | 178.8° | 179.7° |
| C09 | C10 | C19 | H10 | 0.8° | 0.4° |
| C09 | C10 | C23 | H14 | 1.1° | 0.3° |
| C11 | C13 | H2 | H3 | 120.0° | 120.0° |
| C11 | C13 | H2 | H4 | 120.0° | 120.0° |
| C11 | C13 | H3 | H4 | 120.0° | 119.9° |
| C13 | C11 | C12 | H19 | 60.9° | 180.0° |
| C13 | C11 | C12 | H20 | 59.1° | 60.0° |
| C13 | C11 | C12 | H21 | 179.1° | 60.1° |
| C13 | C11 | C14 | H22 | 60.1° | 86.9° |
| C13 | C11 | C14 | H23 | 60.0° | 33.1° |
| C13 | C11 | C14 | H24 | 179.9° | 153.1° |
| C12 | C11 | C13 | H2 | 62.6° | 38.5° |
| C12 | C11 | C13 | H3 | 177.4° | 81.6° |
| C12 | C11 | C13 | H4 | 57.4° | 158.5° |
| C11 | C12 | H19 | H20 | 120.0° | 120.0° |
| C11 | C12 | H19 | H21 | 120.0° | 119.9° |
| C11 | C12 | H20 | H21 | 120.0° | 120.0° |
| C12 | C11 | C14 | H22 | 58.1° | 153.1° |
| C12 | C11 | C14 | H23 | 178.1° | 86.9° |
| C12 | C11 | C14 | H24 | 61.9° | 33.1° |
| C08 | C02 | N01 | N03 | 178.7° | 179.8° |
| C08 | C02 | N01 | N05 | 179.5° | 179.8° |
| C08 | C02 | N03 | N04 | 180.0° | 179.8° |
| C08 | C02 | N03 | H1 | 0.1° | 0.2° |
| C10 | C19 | C20 | H10 | 180.0° | 179.9° |
| C19 | C10 | C23 | C22 | 0.4° | 0.1° |
| C10 | C19 | C20 | C21 | 0.6° | 0.1° |
| C10 | C19 | C20 | H11 | 179.4° | 179.9° |
| C19 | C10 | C23 | H14 | 179.7° | 179.9° |
| C23 | C10 | C19 | C20 | 0.1° | 0.1° |
| C10 | C23 | C22 | H14 | 180.0° | 179.9° |
| C10 | C23 | C22 | C21 | 0.0° | 0.1° |
| C23 | C10 | C19 | H10 | 179.9° | 180.0° |
| C10 | C23 | C22 | H13 | 180.0° | 179.9° |
| C19 | C20 | C21 | H11 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.9° | 0.1° |
| C19 | C20 | C21 | H12 | 179.1° | 180.0° |
| C23 | C22 | C21 | C20 | 0.6° | 0.0° |
| C23 | C22 | C21 | H13 | 180.0° | 180.0° |
| C23 | C22 | C21 | H12 | 179.4° | 180.0° |
| C20 | C21 | C22 | H12 | 180.0° | 180.0° |
| C21 | C20 | C19 | H10 | 179.4° | 180.0° |
| C20 | C21 | C22 | H13 | 179.4° | 180.0° |
| N01 | C02 | N03 | N04 | 1.1° | 0.0° |
| C02 | N01 | N05 | N04 | 0.1° | 0.0° |
| N01 | C02 | N03 | H1 | 178.9° | 180.0° |
| N03 | C02 | N01 | N05 | 0.7° | 0.0° |
| C02 | N03 | N04 | H1 | 180.0° | 180.0° |
| C02 | N03 | N04 | N05 | 1.1° | 0.0° |
| C22 | C21 | C20 | H11 | 179.1° | 180.0° |
| C21 | C22 | C23 | H14 | 180.0° | 180.0° |
| N01 | N05 | N04 | N03 | 0.7° | 0.0° |
| N05 | N04 | N03 | H1 | 178.9° | 180.0° |
| H2 | C13 | H3 | H4 | 120.0° | 120.0° |
| H7 | C18 | H8 | H9 | 119.9° | 120.1° |
| H10 | C19 | C20 | H11 | 0.6° | 0.1° |
| H11 | C20 | C21 | H12 | 0.9° | 0.0° |
| H12 | C21 | C22 | H13 | 0.6° | 0.0° |
| H13 | C22 | C23 | H14 | 0.0° | 0.0° |
| H15 | C25 | C26 | H16 | 0.9° | 0.0° |
| H16 | C26 | C27 | H17 | 0.0° | 0.0° |
| H17 | C27 | C28 | H18 | 0.4° | 0.0° |
| H18 | C28 | C29 | H25 | 0.0° | 0.4° |
| H19 | C12 | H20 | H21 | 120.0° | 120.0° |
| H22 | C14 | H23 | H24 | 119.9° | 120.0° |
