U5D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O8 | C4 | doub | 1.21Å | 1.20Å | |
| O22 | C9 | doub | 1.22Å | 1.21Å | |
| C4 | C3 | sing | 1.51Å | 1.54Å | |
| C4 | C5 | sing | 1.47Å | 1.54Å | |
| C21 | C15 | sing | 1.51Å | 1.55Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C9 | C5 | sing | 1.47Å | 1.56Å | |
| C9 | C10 | sing | 1.48Å | 1.55Å | |
| C5 | C6 | doub | 1.37Å | 1.36Å | |
| C15 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.44Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.38Å | Aromatic |
| O20 | C16 | doub | 1.22Å | 1.19Å | |
| C6 | C1 | sing | 1.50Å | 1.54Å | |
| C6 | O7 | sing | 1.34Å | 1.39Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C16 | C14 | sing | 1.47Å | 1.38Å | |
| C16 | N18 | sing | 1.35Å | 1.33Å | |
| C14 | C13 | doub | 1.41Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.36Å | 1.39Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | N18 | sing | 1.40Å | 1.48Å | |
| C23 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| N18 | C19 | sing | 1.36Å | 1.35Å | |
| C13 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | N17 | sing | 1.35Å | 1.31Å | |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | N17 | doub | 1.30Å | 1.35Å | |
| C19 | C24 | sing | 1.51Å | 1.51Å | |
| C21 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C28 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| O7 | H17 | sing | 0.97Å | 0.95Å | |
| C11 | H18 | sing | 1.08Å | 1.08Å | |
| C12 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| C29 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O8 | C4 | C3 | 118.8° | 121.2° |
| O8 | C4 | C5 | 121.5° | 121.1° |
| O22 | C9 | C5 | 118.3° | 120.0° |
| O22 | C9 | C10 | 118.5° | 120.0° |
| C3 | C4 | C5 | 119.7° | 117.7° |
| C4 | C3 | C2 | 108.3° | 107.6° |
| C4 | C3 | H13 | 109.8° | 109.9° |
| C4 | C3 | H14 | 109.8° | 109.9° |
| C4 | C5 | C9 | 116.8° | 120.0° |
| C4 | C5 | C6 | 120.9° | 120.0° |
| C21 | C15 | C10 | 116.0° | 120.3° |
| C21 | C15 | C14 | 124.8° | 120.4° |
| C15 | C21 | H1 | 109.5° | 109.5° |
| C15 | C21 | H2 | 109.5° | 109.4° |
| C15 | C21 | H3 | 109.4° | 109.5° |
| C3 | C2 | C1 | 109.2° | 109.2° |
| C3 | C2 | H11 | 109.5° | 109.5° |
| C3 | C2 | H12 | 109.6° | 109.5° |
| C2 | C3 | H13 | 109.7° | 109.8° |
| C2 | C3 | H14 | 109.8° | 109.8° |
| C5 | C9 | C10 | 123.1° | 120.0° |
| C9 | C5 | C6 | 120.7° | 120.0° |
| C9 | C10 | C15 | 121.4° | 119.9° |
| C9 | C10 | C11 | 116.5° | 119.9° |
| C5 | C6 | C1 | 118.6° | 122.6° |
| C5 | C6 | O7 | 119.9° | 118.7° |
| C10 | C15 | C14 | 119.2° | 119.3° |
| C15 | C10 | C11 | 122.0° | 120.2° |
| C15 | C14 | C16 | 125.5° | 121.9° |
| C15 | C14 | C13 | 117.5° | 120.1° |
| C10 | C11 | C12 | 119.0° | 120.9° |
| C10 | C11 | H18 | 120.5° | 119.6° |
| O20 | C16 | C14 | 123.6° | 121.3° |
| O20 | C16 | N18 | 116.1° | 121.3° |
| C1 | C6 | O7 | 117.7° | 118.7° |
| C6 | C1 | C2 | 109.7° | 111.1° |
| C6 | C1 | H9 | 109.4° | 109.1° |
| C6 | C1 | H10 | 109.4° | 109.2° |
| C6 | O7 | H17 | 109.5° | 117.0° |
| C2 | C1 | H9 | 109.4° | 109.1° |
| C2 | C1 | H10 | 109.4° | 109.2° |
| C1 | C2 | H11 | 109.6° | 109.5° |
| C1 | C2 | H12 | 109.5° | 109.5° |
| C14 | C16 | N18 | 120.3° | 117.4° |
| C16 | C14 | C13 | 117.0° | 118.0° |
| C16 | N18 | C23 | 120.0° | 119.8° |
| C16 | N18 | C19 | 120.6° | 120.6° |
| C14 | C13 | C12 | 122.4° | 119.6° |
| C14 | C13 | N17 | 121.6° | 119.0° |
| C11 | C12 | C13 | 119.9° | 120.0° |
| C12 | C11 | H18 | 120.5° | 119.5° |
| C11 | C12 | H19 | 120.1° | 120.1° |
| C29 | C28 | C27 | 119.2° | 120.0° |
| C28 | C29 | C23 | 120.9° | 119.9° |
| C29 | C28 | H8 | 120.3° | 120.0° |
| C28 | C29 | H22 | 119.6° | 120.1° |
| C28 | C27 | C26 | 120.0° | 120.2° |
| C27 | C28 | H8 | 120.4° | 120.0° |
| C28 | C27 | H21 | 120.0° | 120.0° |
| C29 | C23 | N18 | 117.7° | 120.0° |
| C29 | C23 | C25 | 119.7° | 119.8° |
| C23 | C29 | H22 | 119.5° | 120.0° |
| C27 | C26 | C25 | 120.5° | 120.0° |
| C27 | C26 | H7 | 119.7° | 120.0° |
| C26 | C27 | H21 | 120.0° | 119.9° |
| N18 | C23 | C25 | 122.6° | 120.1° |
| C23 | N18 | C19 | 119.4° | 119.7° |
| C23 | C25 | C26 | 119.7° | 120.0° |
| C23 | C25 | H20 | 120.2° | 120.0° |
| N18 | C19 | N17 | 119.7° | 123.4° |
| N18 | C19 | C24 | 121.5° | 118.3° |
| C12 | C13 | N17 | 116.0° | 121.4° |
| C13 | C12 | H19 | 120.0° | 120.0° |
| C13 | N17 | C19 | 120.8° | 121.7° |
| C25 | C26 | H7 | 119.8° | 120.0° |
| C26 | C25 | H20 | 120.1° | 120.0° |
| N17 | C19 | C24 | 118.8° | 118.3° |
| C19 | C24 | H4 | 109.5° | 109.5° |
| C19 | C24 | H5 | 109.5° | 109.5° |
| C19 | C24 | H6 | 109.4° | 109.5° |
| H1 | C21 | H2 | 109.5° | 109.5° |
| H1 | C21 | H3 | 109.4° | 109.5° |
| H2 | C21 | H3 | 109.5° | 109.5° |
| H4 | C24 | H5 | 109.5° | 109.4° |
| H4 | C24 | H6 | 109.5° | 109.5° |
| H5 | C24 | H6 | 109.4° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.2° |
| H11 | C2 | H12 | 109.4° | 109.5° |
| H13 | C3 | H14 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O8 | C4 | C3 | C5 | 179.2° | 180.0° |
| O8 | C4 | C3 | C2 | 155.3° | 137.3° |
| O8 | C4 | C5 | C9 | 15.6° | 11.8° |
| O8 | C4 | C5 | C6 | 178.6° | 168.2° |
| O8 | C4 | C3 | H13 | 84.9° | 103.2° |
| O8 | C4 | C3 | H14 | 35.5° | 17.8° |
| O22 | C9 | C5 | C4 | 20.9° | 115.0° |
| O22 | C9 | C5 | C10 | 176.4° | 180.0° |
| O22 | C9 | C5 | C6 | 173.3° | 64.9° |
| O22 | C9 | C10 | C15 | 80.9° | 5.5° |
| O22 | C9 | C10 | C11 | 97.7° | 174.8° |
| C4 | C3 | C2 | H13 | 119.8° | 119.5° |
| C4 | C3 | C2 | H14 | 119.8° | 119.6° |
| C3 | C4 | C5 | C9 | 163.6° | 168.2° |
| C3 | C4 | C5 | C6 | 2.2° | 11.8° |
| C4 | C3 | C2 | C1 | 56.9° | 63.2° |
| C4 | C3 | C2 | H11 | 176.9° | 176.8° |
| C4 | C3 | C2 | H12 | 63.1° | 56.7° |
| C4 | C3 | H13 | H14 | 120.5° | 121.0° |
| C5 | C4 | C3 | C2 | 23.9° | 42.7° |
| C4 | C5 | C9 | C6 | 165.8° | 180.0° |
| C4 | C5 | C9 | C10 | 155.4° | 65.0° |
| C4 | C5 | C6 | C1 | 5.0° | 0.7° |
| C4 | C5 | C6 | O7 | 162.7° | 179.5° |
| C5 | C4 | C3 | H13 | 95.9° | 76.8° |
| C5 | C4 | C3 | H14 | 143.7° | 162.2° |
| C21 | C15 | C10 | C9 | 1.2° | 0.3° |
| C21 | C15 | C10 | C14 | 179.6° | 179.9° |
| C21 | C15 | C10 | C11 | 179.7° | 180.0° |
| C21 | C15 | C14 | C16 | 0.3° | 0.1° |
| C21 | C15 | C14 | C13 | 179.7° | 180.0° |
| C15 | C21 | H1 | H2 | 120.0° | 120.0° |
| C15 | C21 | H1 | H3 | 120.0° | 120.0° |
| C15 | C21 | H2 | H3 | 120.0° | 120.0° |
| C3 | C2 | C1 | C6 | 65.5° | 53.4° |
| C3 | C2 | C1 | H11 | 120.0° | 120.0° |
| C3 | C2 | C1 | H12 | 120.0° | 119.9° |
| C3 | C2 | C1 | H9 | 174.5° | 173.8° |
| C3 | C2 | C1 | H10 | 54.5° | 67.0° |
| C3 | C2 | H11 | H12 | 120.1° | 120.2° |
| C2 | C3 | H13 | H14 | 120.5° | 120.8° |
| C5 | C9 | C10 | C15 | 102.8° | 174.5° |
| C5 | C9 | C10 | C11 | 78.7° | 5.2° |
| C9 | C5 | C6 | C1 | 170.2° | 179.4° |
| C9 | C5 | C6 | O7 | 32.1° | 0.5° |
| C10 | C9 | C5 | C6 | 10.4° | 115.0° |
| C9 | C10 | C15 | C11 | 178.5° | 179.7° |
| C9 | C10 | C15 | C14 | 178.4° | 179.7° |
| C9 | C10 | C11 | C12 | 178.6° | 179.7° |
| C9 | C10 | C11 | H18 | 1.4° | 0.4° |
| C5 | C6 | C1 | O7 | 158.2° | 179.9° |
| C5 | C6 | C1 | C2 | 38.6° | 22.1° |
| C5 | C6 | C1 | H9 | 158.7° | 142.5° |
| C5 | C6 | C1 | H10 | 81.4° | 98.3° |
| C5 | C6 | O7 | H17 | 180.0° | 5.0° |
| C10 | C15 | C14 | C16 | 179.9° | 180.0° |
| C10 | C15 | C14 | C13 | 0.1° | 0.1° |
| C15 | C10 | C11 | C12 | 0.0° | 0.1° |
| C10 | C15 | C21 | H1 | 90.1° | 85.6° |
| C10 | C15 | C21 | H2 | 149.8° | 154.3° |
| C10 | C15 | C21 | H3 | 29.8° | 34.4° |
| C15 | C10 | C11 | H18 | 179.9° | 180.0° |
| C14 | C15 | C10 | C11 | 0.1° | 0.1° |
| C15 | C14 | C16 | O20 | 0.1° | 0.0° |
| C15 | C14 | C16 | C13 | 180.0° | 179.9° |
| C15 | C14 | C16 | N18 | 179.4° | 180.0° |
| C15 | C14 | C13 | C12 | 0.0° | 0.1° |
| C15 | C14 | C13 | N17 | 179.8° | 180.0° |
| C14 | C15 | C21 | H1 | 90.2° | 94.3° |
| C14 | C15 | C21 | H2 | 29.8° | 25.7° |
| C14 | C15 | C21 | H3 | 149.8° | 145.7° |
| C10 | C11 | C12 | H18 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.1° | 0.1° |
| C10 | C11 | C12 | H19 | 179.9° | 180.0° |
| O20 | C16 | C14 | N18 | 179.5° | 180.0° |
| O20 | C16 | C14 | C13 | 179.9° | 180.0° |
| O20 | C16 | N18 | C23 | 1.4° | 0.0° |
| O20 | C16 | N18 | C19 | 179.6° | 180.0° |
| C6 | C1 | C2 | H9 | 120.1° | 120.3° |
| C6 | C1 | C2 | H10 | 120.0° | 120.4° |
| C6 | C1 | H9 | H10 | 119.9° | 119.2° |
| C6 | C1 | C2 | H11 | 174.6° | 173.4° |
| C6 | C1 | C2 | H12 | 54.5° | 66.5° |
| C1 | C6 | O7 | H17 | 22.2° | 175.1° |
| O7 | C6 | C1 | C2 | 163.2° | 158.0° |
| O7 | C6 | C1 | H9 | 43.2° | 37.6° |
| O7 | C6 | C1 | H10 | 76.8° | 81.6° |
| C2 | C1 | H9 | H10 | 119.9° | 119.3° |
| C1 | C2 | H11 | H12 | 120.1° | 120.1° |
| C1 | C2 | C3 | H13 | 62.9° | 56.3° |
| C1 | C2 | C3 | H14 | 176.7° | 177.2° |
| C14 | C16 | N18 | C23 | 179.0° | 180.0° |
| C14 | C16 | N18 | C19 | 0.8° | 0.1° |
| C16 | C14 | C13 | C12 | 180.0° | 180.0° |
| C16 | C14 | C13 | N17 | 0.2° | 0.1° |
| N18 | C16 | C14 | C13 | 0.5° | 0.1° |
| C16 | N18 | C23 | C29 | 92.5° | 67.4° |
| C16 | N18 | C23 | C19 | 178.2° | 180.0° |
| C16 | N18 | C23 | C25 | 87.5° | 112.1° |
| C16 | N18 | C19 | N17 | 0.7° | 0.1° |
| C16 | N18 | C19 | C24 | 179.8° | 180.0° |
| C14 | C13 | C12 | C11 | 0.1° | 0.1° |
| C14 | C13 | C12 | N17 | 179.8° | 179.9° |
| C14 | C13 | N17 | C19 | 0.0° | 0.1° |
| C14 | C13 | C12 | H19 | 179.9° | 180.0° |
| C11 | C12 | C13 | H19 | 180.0° | 180.0° |
| C11 | C12 | C13 | N17 | 179.9° | 180.0° |
| C29 | C28 | C27 | H8 | 180.0° | 179.7° |
| C28 | C29 | C23 | H22 | 180.0° | 179.8° |
| C29 | C28 | C27 | C26 | 0.1° | 0.0° |
| C28 | C29 | C23 | N18 | 179.8° | 180.0° |
| C28 | C29 | C23 | C25 | 0.2° | 0.5° |
| C29 | C28 | C27 | H21 | 179.8° | 179.9° |
| C27 | C28 | C29 | C23 | 0.2° | 0.3° |
| C28 | C27 | C26 | H21 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 0.0° | 0.0° |
| C28 | C27 | C26 | H7 | 180.0° | 179.7° |
| C27 | C28 | C29 | H22 | 179.7° | 179.9° |
| C29 | C23 | N18 | C25 | 180.0° | 179.4° |
| C29 | C23 | N18 | C19 | 85.8° | 112.6° |
| C29 | C23 | C25 | C26 | 0.1° | 0.6° |
| C23 | C29 | C28 | H8 | 179.8° | 179.9° |
| C29 | C23 | C25 | H20 | 180.0° | 179.5° |
| C27 | C26 | C25 | C23 | 0.0° | 0.3° |
| C27 | C26 | C25 | H7 | 180.0° | 179.7° |
| C26 | C27 | C28 | H8 | 179.9° | 179.7° |
| C27 | C26 | C25 | H20 | 179.9° | 179.8° |
| N18 | C23 | C25 | C26 | 179.9° | 180.0° |
| C23 | N18 | C19 | N17 | 178.9° | 180.0° |
| C23 | N18 | C19 | C24 | 1.6° | 0.1° |
| N18 | C23 | C25 | H20 | 0.0° | 0.1° |
| N18 | C23 | C29 | H22 | 0.2° | 0.2° |
| C25 | C23 | N18 | C19 | 94.2° | 68.0° |
| C23 | C25 | C26 | H20 | 180.0° | 179.9° |
| C23 | C25 | C26 | H7 | 180.0° | 180.0° |
| C25 | C23 | C29 | H22 | 179.8° | 179.7° |
| N18 | C19 | N17 | C13 | 0.3° | 0.1° |
| N18 | C19 | N17 | C24 | 179.5° | 179.9° |
| N18 | C19 | C24 | H4 | 179.5° | 92.1° |
| N18 | C19 | C24 | H5 | 60.4° | 148.0° |
| N18 | C19 | C24 | H6 | 59.5° | 28.0° |
| C12 | C13 | N17 | C19 | 179.9° | 180.0° |
| C13 | C12 | C11 | H18 | 179.9° | 180.0° |
| C13 | N17 | C19 | C24 | 179.8° | 180.0° |
| N17 | C13 | C12 | H19 | 0.1° | 0.1° |
| C25 | C26 | C27 | H21 | 180.0° | 179.9° |
| N17 | C19 | C24 | H4 | 0.0° | 87.9° |
| N17 | C19 | C24 | H5 | 120.0° | 32.1° |
| N17 | C19 | C24 | H6 | 120.0° | 152.1° |
| C19 | C24 | H4 | H5 | 120.0° | 120.0° |
| C19 | C24 | H4 | H6 | 120.0° | 120.0° |
| C19 | C24 | H5 | H6 | 120.0° | 120.1° |
| H1 | C21 | H2 | H3 | 120.0° | 120.0° |
| H4 | C24 | H5 | H6 | 120.0° | 120.0° |
| H7 | C26 | C25 | H20 | 0.1° | 0.1° |
| H7 | C26 | C27 | H21 | 0.0° | 0.3° |
| H8 | C28 | C27 | H21 | 0.2° | 0.3° |
| H8 | C28 | C29 | H22 | 0.3° | 0.3° |
| H9 | C1 | C2 | H11 | 54.5° | 66.3° |
| H9 | C1 | C2 | H12 | 65.5° | 53.8° |
| H10 | C1 | C2 | H11 | 65.4° | 53.0° |
| H10 | C1 | C2 | H12 | 174.5° | 173.1° |
| H11 | C2 | C3 | H13 | 57.0° | 63.7° |
| H11 | C2 | C3 | H14 | 63.3° | 57.2° |
| H12 | C2 | C3 | H13 | 177.1° | 176.2° |
| H12 | C2 | C3 | H14 | 56.7° | 62.9° |
| H18 | C11 | C12 | H19 | 0.1° | 0.1° |
