U0H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C8 | sing | 1.53Å | 1.53Å | |
| C11 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | N2 | sing | 1.47Å | 1.52Å | |
| O2 | C7 | doub | 1.22Å | 1.22Å | |
| N2 | C7 | sing | 1.35Å | 1.40Å | |
| N2 | N3 | sing | 1.40Å | 1.39Å | |
| C7 | C3 | sing | 1.48Å | 1.50Å | |
| O3 | C12 | doub | 1.22Å | 1.23Å | |
| N3 | C12 | sing | 1.35Å | 1.35Å | |
| C3 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.48Å | 1.50Å | |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| O1 | C2 | sing | 1.35Å | 1.34Å | |
| O1 | C6 | sing | 1.43Å | 1.42Å | |
| C2 | N1 | doub | 1.32Å | 1.32Å | Aromatic |
| C18 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| N1 | C1 | sing | 1.32Å | 1.34Å | Aromatic |
| C14 | C19 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | O4 | sing | 1.36Å | 1.37Å | |
| O4 | C20 | sing | 1.43Å | 1.43Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C4 | H17 | sing | 1.08Å | 1.08Å | |
| C5 | H18 | sing | 1.08Å | 1.08Å | |
| C6 | H19 | sing | 1.09Å | 1.10Å | |
| C6 | H20 | sing | 1.09Å | 1.10Å | |
| C6 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å | |
| N3 | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C8 | C11 | 110.2° | 109.5° |
| C10 | C8 | C9 | 109.8° | 109.5° |
| C10 | C8 | N2 | 109.0° | 109.5° |
| C8 | C10 | H1 | 109.5° | 109.4° |
| C8 | C10 | H2 | 109.5° | 109.4° |
| C8 | C10 | H3 | 109.4° | 109.4° |
| C11 | C8 | C9 | 109.7° | 109.5° |
| C11 | C8 | N2 | 109.1° | 109.4° |
| C8 | C11 | H11 | 109.5° | 109.4° |
| C8 | C11 | H12 | 109.5° | 109.5° |
| C8 | C11 | H13 | 109.5° | 109.4° |
| C9 | C8 | N2 | 109.1° | 109.4° |
| C8 | C9 | H22 | 109.5° | 109.5° |
| C8 | C9 | H23 | 109.4° | 109.5° |
| C8 | C9 | H24 | 109.5° | 109.5° |
| C8 | N2 | C7 | 126.4° | 120.0° |
| C8 | N2 | N3 | 116.8° | 120.0° |
| O2 | C7 | N2 | 121.3° | 120.0° |
| O2 | C7 | C3 | 119.8° | 120.0° |
| C7 | N2 | N3 | 116.4° | 120.0° |
| N2 | C7 | C3 | 118.9° | 120.0° |
| N2 | N3 | C12 | 119.5° | 120.0° |
| N2 | N3 | H25 | 120.3° | 120.0° |
| C7 | C3 | C4 | 119.0° | 120.6° |
| C7 | C3 | C2 | 124.2° | 120.6° |
| O3 | C12 | N3 | 123.0° | 120.0° |
| O3 | C12 | C13 | 121.8° | 120.1° |
| N3 | C12 | C13 | 115.2° | 119.9° |
| C12 | N3 | H25 | 120.2° | 120.0° |
| C4 | C3 | C2 | 116.7° | 118.8° |
| C3 | C4 | C5 | 119.3° | 118.3° |
| C3 | C4 | H17 | 120.4° | 120.8° |
| C3 | C2 | O1 | 116.1° | 119.8° |
| C3 | C2 | N1 | 124.6° | 120.4° |
| C12 | C13 | C18 | 118.4° | 120.2° |
| C12 | C13 | C14 | 120.8° | 120.1° |
| C4 | C5 | C1 | 118.7° | 119.5° |
| C5 | C4 | H17 | 120.3° | 120.8° |
| C4 | C5 | H18 | 120.7° | 120.3° |
| C2 | O1 | C6 | 117.2° | 117.0° |
| O1 | C2 | N1 | 119.3° | 119.8° |
| O1 | C6 | H19 | 109.5° | 109.5° |
| O1 | C6 | H20 | 109.5° | 109.4° |
| O1 | C6 | H21 | 109.5° | 109.5° |
| C2 | N1 | C1 | 117.0° | 121.8° |
| C13 | C18 | C17 | 119.7° | 120.0° |
| C18 | C13 | C14 | 120.9° | 119.8° |
| C13 | C18 | H16 | 120.2° | 120.0° |
| C18 | C17 | C16 | 120.5° | 120.2° |
| C18 | C17 | H15 | 119.8° | 119.9° |
| C17 | C18 | H16 | 120.1° | 120.0° |
| C13 | C14 | C19 | 122.1° | 120.1° |
| C13 | C14 | C15 | 117.9° | 119.7° |
| C5 | C1 | N1 | 123.7° | 121.2° |
| C5 | C1 | H10 | 118.2° | 119.4° |
| C1 | C5 | H18 | 120.6° | 120.3° |
| C17 | C16 | C15 | 119.5° | 120.2° |
| C17 | C16 | H14 | 120.2° | 119.9° |
| C16 | C17 | H15 | 119.8° | 119.9° |
| N1 | C1 | H10 | 118.2° | 119.4° |
| C19 | C14 | C15 | 120.1° | 120.1° |
| C14 | C19 | H7 | 109.5° | 109.5° |
| C14 | C19 | H8 | 109.5° | 109.5° |
| C14 | C19 | H9 | 109.5° | 109.5° |
| C14 | C15 | C16 | 121.5° | 120.1° |
| C14 | C15 | O4 | 114.8° | 119.9° |
| C16 | C15 | O4 | 123.7° | 120.0° |
| C15 | C16 | H14 | 120.2° | 119.9° |
| C15 | O4 | C20 | 117.5° | 117.0° |
| O4 | C20 | H4 | 109.5° | 109.5° |
| O4 | C20 | H5 | 109.5° | 109.5° |
| O4 | C20 | H6 | 109.5° | 109.4° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H1 | C10 | H3 | 109.4° | 109.5° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H4 | C20 | H5 | 109.5° | 109.5° |
| H4 | C20 | H6 | 109.4° | 109.5° |
| H5 | C20 | H6 | 109.5° | 109.5° |
| H7 | C19 | H8 | 109.5° | 109.4° |
| H7 | C19 | H9 | 109.5° | 109.5° |
| H8 | C19 | H9 | 109.5° | 109.4° |
| H11 | C11 | H12 | 109.5° | 109.5° |
| H11 | C11 | H13 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H19 | C6 | H20 | 109.5° | 109.4° |
| H19 | C6 | H21 | 109.5° | 109.5° |
| H20 | C6 | H21 | 109.5° | 109.5° |
| H22 | C9 | H23 | 109.5° | 109.4° |
| H22 | C9 | H24 | 109.5° | 109.5° |
| H23 | C9 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C8 | C11 | C9 | 121.0° | 120.0° |
| C10 | C8 | C11 | N2 | 119.6° | 120.0° |
| C10 | C8 | C9 | N2 | 119.3° | 120.0° |
| C10 | C8 | N2 | C7 | 66.3° | 60.0° |
| C10 | C8 | N2 | N3 | 120.0° | 120.0° |
| C8 | C10 | H1 | H2 | 120.0° | 120.0° |
| C8 | C10 | H1 | H3 | 120.0° | 120.0° |
| C8 | C10 | H2 | H3 | 120.0° | 120.0° |
| C10 | C8 | C11 | H11 | 180.0° | 60.0° |
| C10 | C8 | C11 | H12 | 60.0° | 180.0° |
| C10 | C8 | C11 | H13 | 60.0° | 60.0° |
| C10 | C8 | C9 | H22 | 180.0° | 60.0° |
| C10 | C8 | C9 | H23 | 60.0° | 180.0° |
| C10 | C8 | C9 | H24 | 60.0° | 60.0° |
| C11 | C8 | C9 | N2 | 119.4° | 119.9° |
| C11 | C8 | N2 | C7 | 54.0° | 60.1° |
| C11 | C8 | N2 | N3 | 119.7° | 120.0° |
| C11 | C8 | C10 | H1 | 180.0° | 60.0° |
| C11 | C8 | C10 | H2 | 60.0° | 180.0° |
| C11 | C8 | C10 | H3 | 60.0° | 60.0° |
| C8 | C11 | H11 | H12 | 120.0° | 120.1° |
| C8 | C11 | H11 | H13 | 120.0° | 119.9° |
| C8 | C11 | H12 | H13 | 120.0° | 120.0° |
| C11 | C8 | C9 | H22 | 58.8° | 180.0° |
| C11 | C8 | C9 | H23 | 178.8° | 60.0° |
| C11 | C8 | C9 | H24 | 61.2° | 60.0° |
| C9 | C8 | N2 | C7 | 173.8° | 180.0° |
| C9 | C8 | N2 | N3 | 0.2° | 0.1° |
| C9 | C8 | C10 | H1 | 59.0° | 180.0° |
| C9 | C8 | C10 | H2 | 179.1° | 60.0° |
| C9 | C8 | C10 | H3 | 61.0° | 60.0° |
| C9 | C8 | C11 | H11 | 59.0° | 60.1° |
| C9 | C8 | C11 | H12 | 61.1° | 60.0° |
| C9 | C8 | C11 | H13 | 178.9° | 180.0° |
| C8 | C9 | H22 | H23 | 120.0° | 120.0° |
| C8 | C9 | H22 | H24 | 120.0° | 120.0° |
| C8 | C9 | H23 | H24 | 120.0° | 120.0° |
| C8 | N2 | C7 | O2 | 7.9° | 4.5° |
| C8 | N2 | C7 | N3 | 173.6° | 179.9° |
| C8 | N2 | C7 | C3 | 172.6° | 175.5° |
| C8 | N2 | N3 | C12 | 100.4° | 90.2° |
| N2 | C8 | C10 | H1 | 60.4° | 60.0° |
| N2 | C8 | C10 | H2 | 59.7° | 60.0° |
| N2 | C8 | C10 | H3 | 179.6° | 180.0° |
| N2 | C8 | C11 | H11 | 60.4° | 180.0° |
| N2 | C8 | C11 | H12 | 179.5° | 59.9° |
| N2 | C8 | C11 | H13 | 59.5° | 60.1° |
| N2 | C8 | C9 | H22 | 60.7° | 60.0° |
| N2 | C8 | C9 | H23 | 59.4° | 59.9° |
| N2 | C8 | C9 | H24 | 179.3° | 179.9° |
| C8 | N2 | N3 | H25 | 79.6° | 89.9° |
| O2 | C7 | N2 | C3 | 179.4° | 180.0° |
| O2 | C7 | N2 | N3 | 178.4° | 175.4° |
| O2 | C7 | C3 | C4 | 67.0° | 142.7° |
| O2 | C7 | C3 | C2 | 112.4° | 37.0° |
| C7 | N2 | N3 | C12 | 85.3° | 89.7° |
| N2 | C7 | C3 | C4 | 112.5° | 37.3° |
| N2 | C7 | C3 | C2 | 68.1° | 143.0° |
| C7 | N2 | N3 | H25 | 94.6° | 90.1° |
| N3 | N2 | C7 | C3 | 1.0° | 4.6° |
| N2 | N3 | C12 | O3 | 3.1° | 0.1° |
| N2 | N3 | C12 | H25 | 180.0° | 179.9° |
| N2 | N3 | C12 | C13 | 175.8° | 180.0° |
| C7 | C3 | C4 | C2 | 179.5° | 179.7° |
| C7 | C3 | C4 | C5 | 179.4° | 180.0° |
| C7 | C3 | C2 | O1 | 0.9° | 0.0° |
| C7 | C3 | C2 | N1 | 179.4° | 180.0° |
| C7 | C3 | C4 | H17 | 0.6° | 0.3° |
| O3 | C12 | N3 | C13 | 179.0° | 179.9° |
| O3 | C12 | C13 | C18 | 112.9° | 174.6° |
| O3 | C12 | C13 | C14 | 65.9° | 5.4° |
| O3 | C12 | N3 | H25 | 176.8° | 180.0° |
| N3 | C12 | C13 | C18 | 66.1° | 5.3° |
| N3 | C12 | C13 | C14 | 115.1° | 174.7° |
| C3 | C4 | C5 | H17 | 180.0° | 179.8° |
| C4 | C3 | C2 | O1 | 179.7° | 179.8° |
| C4 | C3 | C2 | N1 | 0.0° | 0.3° |
| C3 | C4 | C5 | C1 | 0.1° | 0.1° |
| C3 | C4 | C5 | H18 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.2° |
| C3 | C2 | O1 | N1 | 179.7° | 179.9° |
| C3 | C2 | O1 | C6 | 179.0° | 180.0° |
| C3 | C2 | N1 | C1 | 0.0° | 0.1° |
| C2 | C3 | C4 | H17 | 179.9° | 180.0° |
| C12 | C13 | C18 | C14 | 178.8° | 180.0° |
| C12 | C13 | C18 | C17 | 178.4° | 180.0° |
| C12 | C13 | C14 | C19 | 2.3° | 0.0° |
| C12 | C13 | C14 | C15 | 178.0° | 179.7° |
| C12 | C13 | C18 | H16 | 1.6° | 0.0° |
| C13 | C12 | N3 | H25 | 4.2° | 0.1° |
| C4 | C5 | C1 | H18 | 180.0° | 179.9° |
| C4 | C5 | C1 | N1 | 0.1° | 0.3° |
| C4 | C5 | C1 | H10 | 179.9° | 180.0° |
| O1 | C2 | N1 | C1 | 179.7° | 180.0° |
| C2 | O1 | C6 | H19 | 180.0° | 59.9° |
| C2 | O1 | C6 | H20 | 60.0° | 60.0° |
| C2 | O1 | C6 | H21 | 60.0° | 180.0° |
| C6 | O1 | C2 | N1 | 0.7° | 0.1° |
| O1 | C6 | H19 | H20 | 120.0° | 119.9° |
| O1 | C6 | H19 | H21 | 120.0° | 120.0° |
| O1 | C6 | H20 | H21 | 120.0° | 120.0° |
| C2 | N1 | C1 | C5 | 0.1° | 0.2° |
| C2 | N1 | C1 | H10 | 179.9° | 180.0° |
| C13 | C18 | C17 | H16 | 180.0° | 180.0° |
| C13 | C18 | C17 | C16 | 0.0° | 0.2° |
| C18 | C13 | C14 | C19 | 178.9° | 180.0° |
| C18 | C13 | C14 | C15 | 0.7° | 0.2° |
| C13 | C18 | C17 | H15 | 179.9° | 180.0° |
| C17 | C18 | C13 | C14 | 0.4° | 0.0° |
| C18 | C17 | C16 | H15 | 180.0° | 179.8° |
| C18 | C17 | C16 | C15 | 0.2° | 0.2° |
| C18 | C17 | C16 | H14 | 179.8° | 179.8° |
| C13 | C14 | C19 | C15 | 179.6° | 179.7° |
| C13 | C14 | C15 | C16 | 0.6° | 0.2° |
| C13 | C14 | C15 | O4 | 178.8° | 179.7° |
| C13 | C14 | C19 | H7 | 90.2° | 83.2° |
| C13 | C14 | C19 | H8 | 149.8° | 36.7° |
| C13 | C14 | C19 | H9 | 29.8° | 156.7° |
| C14 | C13 | C18 | H16 | 179.5° | 180.0° |
| C5 | C1 | N1 | H10 | 180.0° | 179.7° |
| C1 | C5 | C4 | H17 | 179.9° | 179.7° |
| C17 | C16 | C15 | C14 | 0.1° | 0.0° |
| C17 | C16 | C15 | H14 | 180.0° | 180.0° |
| C17 | C16 | C15 | O4 | 179.2° | 179.9° |
| C16 | C17 | C18 | H16 | 180.0° | 179.8° |
| N1 | C1 | C5 | H18 | 179.9° | 179.8° |
| C19 | C14 | C15 | C16 | 179.1° | 180.0° |
| C19 | C14 | C15 | O4 | 1.6° | 0.1° |
| C14 | C19 | H7 | H8 | 120.0° | 120.0° |
| C14 | C19 | H7 | H9 | 120.0° | 120.0° |
| C14 | C19 | H8 | H9 | 120.0° | 120.0° |
| C14 | C15 | C16 | O4 | 179.3° | 179.9° |
| C14 | C15 | O4 | C20 | 179.1° | 180.0° |
| C15 | C14 | C19 | H7 | 90.2° | 96.5° |
| C15 | C14 | C19 | H8 | 29.8° | 143.5° |
| C15 | C14 | C19 | H9 | 149.8° | 23.5° |
| C14 | C15 | C16 | H14 | 179.8° | 180.0° |
| C16 | C15 | O4 | C20 | 0.3° | 0.1° |
| C15 | C16 | C17 | H15 | 179.8° | 180.0° |
| C15 | O4 | C20 | H4 | 180.0° | 180.0° |
| C15 | O4 | C20 | H5 | 60.0° | 59.9° |
| C15 | O4 | C20 | H6 | 60.0° | 60.1° |
| O4 | C15 | C16 | H14 | 0.8° | 0.1° |
| O4 | C20 | H4 | H5 | 120.0° | 120.0° |
| O4 | C20 | H4 | H6 | 120.0° | 119.9° |
| O4 | C20 | H5 | H6 | 120.0° | 120.0° |
| H1 | C10 | H2 | H3 | 120.0° | 120.1° |
| H4 | C20 | H5 | H6 | 120.0° | 120.0° |
| H7 | C19 | H8 | H9 | 120.0° | 120.0° |
| H10 | C1 | C5 | H18 | 0.1° | 0.1° |
| H11 | C11 | H12 | H13 | 120.0° | 120.0° |
| H14 | C16 | C17 | H15 | 0.2° | 0.0° |
| H15 | C17 | C18 | H16 | 0.0° | 0.0° |
| H17 | C4 | C5 | H18 | 0.1° | 0.2° |
| H19 | C6 | H20 | H21 | 120.0° | 120.1° |
| H22 | C9 | H23 | H24 | 120.0° | 120.0° |
