U30
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| C15 | N5 | doub | 1.32Å | 1.34Å | Aromatic |
| C16 | O | sing | 1.43Å | 1.44Å | |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| C11 | N5 | sing | 1.32Å | 1.34Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| C10 | N4 | sing | 1.46Å | 1.46Å | |
| N4 | N6 | sing | 1.29Å | 1.34Å | Aromatic |
| N4 | C9 | sing | 1.35Å | 1.34Å | Aromatic |
| N6 | N7 | doub | 1.29Å | 1.32Å | Aromatic |
| C9 | C8 | doub | 1.37Å | 1.37Å | Aromatic |
| N7 | C8 | sing | 1.35Å | 1.36Å | Aromatic |
| C8 | C7 | sing | 1.48Å | 1.47Å | |
| C7 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| C7 | C19 | sing | 1.40Å | 1.37Å | Aromatic |
| N3 | C6 | sing | 1.32Å | 1.34Å | Aromatic |
| C19 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | N2 | sing | 1.38Å | 1.33Å | |
| C6 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C5 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| C5 | C4 | sing | 1.48Å | 1.48Å | |
| C20 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C2 | C1 | doub | 1.39Å | 1.41Å | Aromatic |
| C22 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.43Å | 1.44Å | |
| C | N | trip | 1.14Å | 1.15Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H21 | sing | 1.08Å | 1.08Å | |
| O | H14 | sing | 0.97Å | 0.95Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C12 | 119.5° | 118.4° |
| C13 | C14 | C15 | 118.7° | 119.2° |
| C14 | C13 | H9 | 120.2° | 120.7° |
| C13 | C14 | H10 | 120.6° | 120.4° |
| C13 | C12 | C11 | 118.4° | 119.1° |
| C12 | C13 | H9 | 120.2° | 120.8° |
| C13 | C12 | H8 | 120.8° | 120.4° |
| C14 | C15 | C16 | 122.8° | 119.6° |
| C14 | C15 | N5 | 121.7° | 120.7° |
| C15 | C14 | H10 | 120.7° | 120.4° |
| C17 | C16 | C15 | 107.9° | 109.4° |
| C17 | C16 | O | 106.1° | 109.4° |
| C17 | C16 | C18 | 109.7° | 109.5° |
| C16 | C17 | H13 | 109.5° | 109.5° |
| C16 | C17 | H12 | 109.5° | 109.5° |
| C16 | C17 | H11 | 109.5° | 109.5° |
| C12 | C11 | N5 | 122.8° | 120.8° |
| C12 | C11 | C10 | 121.1° | 119.6° |
| C11 | C12 | H8 | 120.8° | 120.5° |
| C16 | C15 | N5 | 115.5° | 119.6° |
| C15 | C16 | O | 108.0° | 109.5° |
| C15 | C16 | C18 | 117.2° | 109.5° |
| C15 | N5 | C11 | 118.9° | 121.7° |
| O | C16 | C18 | 107.4° | 109.5° |
| C16 | O | H14 | 109.5° | 113.9° |
| C16 | C18 | H15 | 109.5° | 109.5° |
| C16 | C18 | H17 | 109.5° | 109.5° |
| C16 | C18 | H16 | 109.5° | 109.5° |
| N5 | C11 | C10 | 116.0° | 119.6° |
| C11 | C10 | N4 | 111.2° | 109.5° |
| C11 | C10 | H7 | 109.1° | 109.5° |
| C11 | C10 | H6 | 109.1° | 109.4° |
| C10 | N4 | N6 | 120.1° | 125.7° |
| C10 | N4 | C9 | 128.5° | 125.8° |
| N4 | C10 | H7 | 109.0° | 109.5° |
| N4 | C10 | H6 | 109.0° | 109.5° |
| N6 | N4 | C9 | 111.4° | 108.5° |
| N4 | N6 | N7 | 106.5° | 110.6° |
| N4 | C9 | C8 | 104.8° | 106.1° |
| N4 | C9 | H5 | 127.6° | 127.0° |
| N6 | N7 | C8 | 109.2° | 108.7° |
| C9 | C8 | N7 | 108.0° | 106.2° |
| C9 | C8 | C7 | 129.4° | 126.9° |
| C8 | C9 | H5 | 127.6° | 127.0° |
| N7 | C8 | C7 | 122.5° | 126.9° |
| C8 | C7 | N3 | 115.9° | 120.4° |
| C8 | C7 | C19 | 120.9° | 120.5° |
| N3 | C7 | C19 | 123.1° | 119.1° |
| C7 | N3 | C6 | 115.5° | 120.8° |
| C7 | C19 | C5 | 116.9° | 118.3° |
| C7 | C19 | H18 | 121.6° | 120.8° |
| N3 | C6 | N2 | 117.3° | 119.1° |
| N3 | C6 | N1 | 125.9° | 121.8° |
| C19 | C5 | N1 | 122.0° | 119.1° |
| C19 | C5 | C4 | 122.8° | 120.4° |
| C5 | C19 | H18 | 121.6° | 120.9° |
| N2 | C6 | N1 | 116.8° | 119.1° |
| C6 | N2 | H4 | 109.5° | 120.0° |
| C6 | N2 | H3 | 109.5° | 120.0° |
| C6 | N1 | C5 | 116.6° | 120.9° |
| N1 | C5 | C4 | 115.2° | 120.5° |
| C5 | C4 | C20 | 117.5° | 120.1° |
| C5 | C4 | C2 | 122.0° | 120.0° |
| C4 | C20 | C21 | 119.9° | 120.2° |
| C20 | C4 | C2 | 120.4° | 119.9° |
| C4 | C20 | H19 | 120.0° | 119.9° |
| C20 | C21 | C22 | 120.4° | 120.3° |
| C21 | C20 | H19 | 120.1° | 119.9° |
| C20 | C21 | H20 | 119.8° | 119.9° |
| C4 | C2 | C3 | 122.6° | 120.1° |
| C4 | C2 | C1 | 118.7° | 119.7° |
| C21 | C22 | C1 | 120.6° | 120.1° |
| C22 | C21 | H20 | 119.8° | 119.8° |
| C21 | C22 | H21 | 119.7° | 120.0° |
| C3 | C2 | C1 | 118.6° | 120.2° |
| C2 | C3 | H2 | 109.5° | 109.5° |
| C2 | C3 | H1 | 109.5° | 109.4° |
| C2 | C3 | H | 109.4° | 109.5° |
| C2 | C1 | C22 | 119.9° | 119.8° |
| C2 | C1 | C | 120.3° | 120.1° |
| C22 | C1 | C | 119.4° | 120.1° |
| C1 | C22 | H21 | 119.7° | 120.0° |
| C1 | C | N | 177.5° | 179.9° |
| H7 | C10 | H6 | 109.5° | 109.4° |
| H13 | C17 | H12 | 109.5° | 109.5° |
| H13 | C17 | H11 | 109.5° | 109.5° |
| H12 | C17 | H11 | 109.5° | 109.4° |
| H15 | C18 | H17 | 109.5° | 109.4° |
| H15 | C18 | H16 | 109.4° | 109.5° |
| H17 | C18 | H16 | 109.5° | 109.4° |
| H2 | C3 | H1 | 109.5° | 109.5° |
| H2 | C3 | H | 109.5° | 109.4° |
| H1 | C3 | H | 109.5° | 109.5° |
| H4 | N2 | H3 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C12 | H9 | 180.0° | 179.7° |
| C13 | C14 | C15 | H10 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.6° | 0.0° |
| C13 | C14 | C15 | C16 | 177.0° | 180.0° |
| C13 | C14 | C15 | N5 | 1.6° | 0.0° |
| C14 | C13 | C12 | H8 | 179.5° | 180.0° |
| C12 | C13 | C14 | C15 | 0.6° | 0.0° |
| C13 | C12 | C11 | H8 | 180.0° | 179.9° |
| C13 | C12 | C11 | N5 | 0.8° | 0.1° |
| C13 | C12 | C11 | C10 | 174.8° | 180.0° |
| C12 | C13 | C14 | H10 | 179.4° | 180.0° |
| C14 | C15 | C16 | C17 | 0.6° | 175.0° |
| C14 | C15 | C16 | N5 | 178.7° | 180.0° |
| C14 | C15 | C16 | O | 113.7° | 55.0° |
| C14 | C15 | C16 | C18 | 124.9° | 65.0° |
| C14 | C15 | N5 | C11 | 1.4° | 0.1° |
| C15 | C14 | C13 | H9 | 179.4° | 179.7° |
| C17 | C16 | C15 | O | 114.3° | 120.0° |
| C17 | C16 | C15 | C18 | 124.3° | 120.0° |
| C17 | C16 | C15 | N5 | 178.2° | 5.0° |
| C17 | C16 | O | C18 | 117.3° | 120.0° |
| C16 | C17 | H13 | H12 | 120.0° | 120.0° |
| C16 | C17 | H13 | H11 | 120.0° | 120.0° |
| C16 | C17 | H12 | H11 | 120.0° | 120.0° |
| C17 | C16 | O | H14 | 180.0° | 180.0° |
| C17 | C16 | C18 | H15 | 180.0° | 59.9° |
| C17 | C16 | C18 | H17 | 60.0° | 60.0° |
| C17 | C16 | C18 | H16 | 60.0° | 180.0° |
| C12 | C11 | N5 | C15 | 0.2° | 0.1° |
| C12 | C11 | N5 | C10 | 175.8° | 179.9° |
| C12 | C11 | C10 | N4 | 89.8° | 84.9° |
| C12 | C11 | C10 | H7 | 149.9° | 155.0° |
| C12 | C11 | C10 | H6 | 30.4° | 35.1° |
| C11 | C12 | C13 | H9 | 179.5° | 179.7° |
| C15 | C16 | O | C18 | 127.3° | 120.0° |
| C16 | C15 | N5 | C11 | 177.3° | 180.0° |
| C15 | C16 | C17 | H13 | 180.0° | 60.0° |
| C15 | C16 | C17 | H12 | 60.0° | 180.0° |
| C15 | C16 | C17 | H11 | 60.0° | 60.0° |
| C15 | C16 | O | H14 | 64.6° | 60.0° |
| C16 | C15 | C14 | H10 | 3.0° | 0.0° |
| C15 | C16 | C18 | H15 | 56.6° | 60.0° |
| C15 | C16 | C18 | H17 | 176.6° | 180.0° |
| C15 | C16 | C18 | H16 | 63.4° | 60.0° |
| N5 | C15 | C16 | O | 67.5° | 125.0° |
| N5 | C15 | C16 | C18 | 53.9° | 115.0° |
| C15 | N5 | C11 | C10 | 176.0° | 180.0° |
| N5 | C15 | C14 | H10 | 178.4° | 180.0° |
| O | C16 | C17 | H13 | 64.5° | 60.0° |
| O | C16 | C17 | H12 | 55.5° | 60.0° |
| O | C16 | C17 | H11 | 175.5° | 180.0° |
| O | C16 | C18 | H15 | 65.1° | 179.9° |
| O | C16 | C18 | H17 | 54.9° | 60.0° |
| O | C16 | C18 | H16 | 174.9° | 60.0° |
| C18 | C16 | C17 | H13 | 51.3° | 180.0° |
| C18 | C16 | C17 | H12 | 171.3° | 60.0° |
| C18 | C16 | C17 | H11 | 68.7° | 60.0° |
| C18 | C16 | O | H14 | 62.7° | 60.0° |
| C16 | C18 | H15 | H17 | 120.0° | 120.0° |
| C16 | C18 | H15 | H16 | 120.0° | 120.1° |
| C16 | C18 | H17 | H16 | 120.0° | 120.0° |
| N5 | C11 | C10 | N4 | 86.1° | 95.0° |
| N5 | C11 | C10 | H7 | 34.2° | 25.1° |
| N5 | C11 | C10 | H6 | 153.7° | 145.0° |
| N5 | C11 | C12 | H8 | 179.2° | 180.0° |
| C11 | C10 | N4 | H7 | 120.3° | 120.1° |
| C11 | C10 | N4 | H6 | 120.3° | 120.0° |
| C11 | C10 | N4 | N6 | 116.2° | 55.0° |
| C11 | C10 | N4 | C9 | 65.4° | 125.0° |
| C11 | C10 | H7 | H6 | 119.3° | 119.9° |
| C10 | C11 | C12 | H8 | 5.2° | 0.1° |
| C10 | N4 | N6 | C9 | 178.7° | 179.9° |
| C10 | N4 | N6 | N7 | 177.1° | 179.7° |
| C10 | N4 | C9 | C8 | 175.6° | 179.9° |
| N4 | C10 | H7 | H6 | 119.2° | 120.0° |
| C10 | N4 | C9 | H5 | 4.5° | 0.1° |
| N6 | N4 | C9 | C8 | 3.0° | 0.0° |
| N4 | N6 | N7 | C8 | 0.6° | 0.4° |
| N6 | N4 | C10 | H7 | 123.6° | 175.0° |
| N6 | N4 | C10 | H6 | 4.1° | 65.0° |
| N6 | N4 | C9 | H5 | 177.0° | 180.0° |
| C9 | N4 | N6 | N7 | 1.6° | 0.2° |
| N4 | C9 | C8 | H5 | 180.0° | 180.0° |
| N4 | C9 | C8 | N7 | 3.2° | 0.2° |
| N4 | C9 | C8 | C7 | 173.3° | 180.0° |
| C9 | N4 | C10 | H7 | 54.9° | 4.9° |
| C9 | N4 | C10 | H6 | 174.3° | 115.1° |
| N6 | N7 | C8 | C9 | 2.4° | 0.3° |
| N6 | N7 | C8 | C7 | 174.4° | 179.9° |
| C9 | C8 | N7 | C7 | 176.8° | 179.8° |
| C9 | C8 | C7 | N3 | 8.3° | 0.0° |
| C9 | C8 | C7 | C19 | 174.3° | 180.0° |
| N7 | C8 | C7 | N3 | 175.6° | 179.7° |
| N7 | C8 | C7 | C19 | 1.8° | 0.3° |
| N7 | C8 | C9 | H5 | 176.8° | 179.8° |
| C8 | C7 | N3 | C19 | 177.3° | 180.0° |
| C8 | C7 | N3 | C6 | 178.8° | 179.9° |
| C8 | C7 | C19 | C5 | 179.8° | 179.9° |
| C8 | C7 | C19 | H18 | 0.3° | 0.0° |
| C7 | C8 | C9 | H5 | 6.7° | 0.0° |
| N3 | C7 | C19 | C5 | 2.5° | 0.1° |
| C7 | N3 | C6 | N2 | 177.7° | 180.0° |
| C7 | N3 | C6 | N1 | 1.4° | 0.0° |
| N3 | C7 | C19 | H18 | 177.5° | 180.0° |
| C19 | C7 | N3 | C6 | 1.5° | 0.0° |
| C7 | C19 | C5 | H18 | 180.0° | 180.0° |
| C7 | C19 | C5 | N1 | 0.9° | 0.0° |
| C7 | C19 | C5 | C4 | 178.0° | 180.0° |
| N3 | C6 | N2 | N1 | 179.2° | 180.0° |
| N3 | C6 | N1 | C5 | 2.9° | 0.0° |
| N3 | C6 | N2 | H4 | 0.0° | 0.0° |
| N3 | C6 | N2 | H3 | 120.0° | 180.0° |
| C19 | C5 | N1 | C6 | 1.7° | 0.0° |
| C19 | C5 | N1 | C4 | 177.3° | 179.9° |
| C19 | C5 | C4 | C20 | 141.4° | 47.3° |
| C19 | C5 | C4 | C2 | 35.1° | 132.4° |
| N2 | C6 | N1 | C5 | 176.1° | 180.0° |
| C6 | N2 | H4 | H3 | 120.0° | 180.0° |
| C6 | N1 | C5 | C4 | 175.7° | 179.9° |
| N1 | C6 | N2 | H4 | 179.1° | 180.0° |
| N1 | C6 | N2 | H3 | 60.9° | 0.0° |
| N1 | C5 | C4 | C20 | 35.9° | 132.6° |
| N1 | C5 | C4 | C2 | 147.6° | 47.7° |
| N1 | C5 | C19 | H18 | 179.2° | 180.0° |
| C5 | C4 | C20 | C2 | 176.6° | 179.7° |
| C5 | C4 | C20 | C21 | 174.9° | 179.7° |
| C5 | C4 | C2 | C3 | 7.3° | 0.0° |
| C5 | C4 | C2 | C1 | 173.6° | 179.8° |
| C5 | C4 | C20 | H19 | 5.1° | 0.4° |
| C4 | C5 | C19 | H18 | 2.0° | 0.1° |
| C4 | C20 | C21 | H19 | 180.0° | 179.8° |
| C4 | C20 | C21 | C22 | 0.2° | 0.1° |
| C20 | C4 | C2 | C3 | 176.3° | 179.7° |
| C20 | C4 | C2 | C1 | 2.8° | 0.1° |
| C4 | C20 | C21 | H20 | 179.8° | 179.9° |
| C21 | C20 | C4 | C2 | 1.6° | 0.1° |
| C20 | C21 | C22 | H20 | 180.0° | 180.0° |
| C20 | C21 | C22 | C1 | 0.0° | 0.1° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C4 | C2 | C3 | C1 | 179.1° | 179.8° |
| C4 | C2 | C1 | C22 | 2.6° | 0.1° |
| C4 | C2 | C1 | C | 170.0° | 180.0° |
| C2 | C4 | C20 | H19 | 178.3° | 179.9° |
| C4 | C2 | C3 | H2 | 90.5° | 84.8° |
| C4 | C2 | C3 | H1 | 149.5° | 155.2° |
| C4 | C2 | C3 | H | 29.5° | 35.2° |
| C21 | C22 | C1 | C2 | 1.2° | 0.1° |
| C21 | C22 | C1 | H21 | 180.0° | 179.9° |
| C21 | C22 | C1 | C | 171.4° | 180.0° |
| C22 | C21 | C20 | H19 | 179.8° | 179.9° |
| C3 | C2 | C1 | C22 | 176.6° | 179.7° |
| C3 | C2 | C1 | C | 10.9° | 0.3° |
| C2 | C3 | H2 | H1 | 120.0° | 120.0° |
| C2 | C3 | H2 | H | 120.0° | 120.0° |
| C2 | C3 | H1 | H | 120.0° | 120.0° |
| C2 | C1 | C22 | C | 172.6° | 179.9° |
| C2 | C1 | C | N | 153.9° | 142.4° |
| C2 | C1 | C22 | H21 | 178.8° | 180.0° |
| C1 | C2 | C3 | H2 | 90.4° | 95.4° |
| C1 | C2 | C3 | H1 | 29.6° | 24.6° |
| C1 | C2 | C3 | H | 149.6° | 144.6° |
| C22 | C1 | C | N | 18.8° | 37.7° |
| C1 | C22 | C21 | H20 | 180.0° | 179.9° |
| C | C1 | C22 | H21 | 8.6° | 0.0° |
| H9 | C13 | C12 | H8 | 0.5° | 0.3° |
| H9 | C13 | C14 | H10 | 0.6° | 0.3° |
| H13 | C17 | H12 | H11 | 120.0° | 120.0° |
| H19 | C20 | C21 | H20 | 0.2° | 0.1° |
| H20 | C21 | C22 | H21 | 0.0° | 0.0° |
| H15 | C18 | H17 | H16 | 120.0° | 120.0° |
| H2 | C3 | H1 | H | 120.0° | 120.0° |
