C5U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | O12 | sing | 1.43Å | 1.41Å | |
| O12 | C10 | sing | 1.35Å | 1.40Å | |
| O11 | C10 | doub | 1.22Å | 1.18Å | |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.41Å | 1.54Å | |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | N21 | sing | 1.48Å | 1.46Å | |
| C24 | C08 | sing | 1.51Å | 1.54Å | |
| C15 | C14 | sing | 1.51Å | 1.55Å | |
| C09 | C08 | doub | 1.34Å | 1.52Å | |
| C09 | C14 | sing | 1.50Å | 1.53Å | |
| N21 | O22 | sing | 1.22Å | 1.40Å | |
| N21 | O23 | doub | 1.22Å | 1.18Å | |
| C08 | N07 | sing | 1.37Å | 1.44Å | |
| C14 | C05 | sing | 1.50Å | 1.53Å | |
| C05 | C06 | doub | 1.34Å | 1.52Å | |
| C05 | C02 | sing | 1.41Å | 1.53Å | |
| N07 | C06 | sing | 1.37Å | 1.44Å | |
| O03 | C02 | sing | 1.35Å | 1.41Å | |
| O03 | C04 | sing | 1.43Å | 1.41Å | |
| C06 | C25 | sing | 1.51Å | 1.54Å | |
| C02 | O01 | doub | 1.22Å | 1.18Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| N07 | H13 | sing | 0.97Å | 1.00Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | O12 | C10 | 112.4° | 117.0° |
| O12 | C13 | H1 | 109.5° | 109.4° |
| O12 | C13 | H2 | 109.4° | 109.5° |
| O12 | C13 | H3 | 109.5° | 109.5° |
| O12 | C10 | O11 | 119.8° | 120.0° |
| O12 | C10 | C09 | 120.3° | 120.0° |
| O11 | C10 | C09 | 119.9° | 120.0° |
| C17 | C18 | C19 | 120.3° | 120.0° |
| C18 | C17 | C16 | 119.8° | 120.0° |
| C18 | C17 | H4 | 120.1° | 120.0° |
| C17 | C18 | H19 | 119.8° | 120.0° |
| C18 | C19 | C20 | 119.7° | 120.0° |
| C19 | C18 | H19 | 119.8° | 120.0° |
| C18 | C19 | H20 | 120.1° | 120.0° |
| C17 | C16 | C15 | 120.0° | 120.0° |
| C16 | C17 | H4 | 120.1° | 120.0° |
| C17 | C16 | H18 | 120.0° | 119.9° |
| C10 | C09 | C08 | 118.2° | 119.3° |
| C10 | C09 | C14 | 119.3° | 119.3° |
| C19 | C20 | C15 | 120.1° | 119.9° |
| C19 | C20 | N21 | 119.8° | 120.0° |
| C20 | C19 | H20 | 120.1° | 119.9° |
| C16 | C15 | C20 | 120.0° | 120.0° |
| C16 | C15 | C14 | 119.9° | 120.0° |
| C15 | C16 | H18 | 120.0° | 120.0° |
| C15 | C20 | N21 | 120.1° | 120.0° |
| C20 | C15 | C14 | 120.1° | 120.0° |
| C20 | N21 | O22 | 120.1° | 120.0° |
| C20 | N21 | O23 | 120.0° | 120.0° |
| C24 | C08 | C09 | 120.0° | 119.6° |
| C24 | C08 | N07 | 119.4° | 119.6° |
| C08 | C24 | H5 | 109.5° | 109.5° |
| C08 | C24 | H6 | 109.5° | 109.5° |
| C08 | C24 | H7 | 109.5° | 109.4° |
| C15 | C14 | C09 | 107.3° | 109.2° |
| C15 | C14 | C05 | 107.4° | 109.4° |
| C15 | C14 | H17 | 109.5° | 109.2° |
| C08 | C09 | C14 | 119.1° | 121.4° |
| C09 | C08 | N07 | 119.4° | 120.8° |
| C09 | C14 | C05 | 113.3° | 110.7° |
| C09 | C14 | H17 | 109.7° | 109.2° |
| O22 | N21 | O23 | 119.9° | 120.0° |
| C08 | N07 | C06 | 119.1° | 120.3° |
| C08 | N07 | H13 | 120.4° | 119.8° |
| C14 | C05 | C06 | 120.3° | 121.4° |
| C14 | C05 | C02 | 118.6° | 119.3° |
| C05 | C14 | H17 | 109.7° | 109.1° |
| C06 | C05 | C02 | 118.6° | 119.3° |
| C05 | C06 | N07 | 118.3° | 120.8° |
| C05 | C06 | C25 | 118.5° | 119.6° |
| C05 | C02 | O03 | 120.1° | 120.0° |
| C05 | C02 | O01 | 119.3° | 119.9° |
| N07 | C06 | C25 | 119.4° | 119.6° |
| C06 | N07 | H13 | 120.5° | 119.9° |
| C02 | O03 | C04 | 114.0° | 117.0° |
| O03 | C02 | O01 | 120.6° | 120.1° |
| O03 | C04 | H8 | 109.5° | 109.5° |
| O03 | C04 | H9 | 109.5° | 109.5° |
| O03 | C04 | H10 | 109.5° | 109.4° |
| C06 | C25 | H21 | 109.5° | 109.5° |
| C06 | C25 | H22 | 109.4° | 109.5° |
| C06 | C25 | H23 | 109.4° | 109.5° |
| H1 | C13 | H2 | 109.5° | 109.4° |
| H1 | C13 | H3 | 109.4° | 109.5° |
| H2 | C13 | H3 | 109.5° | 109.5° |
| H5 | C24 | H6 | 109.4° | 109.5° |
| H5 | C24 | H7 | 109.5° | 109.5° |
| H6 | C24 | H7 | 109.5° | 109.4° |
| H8 | C04 | H9 | 109.5° | 109.5° |
| H8 | C04 | H10 | 109.5° | 109.4° |
| H9 | C04 | H10 | 109.5° | 109.5° |
| H21 | C25 | H22 | 109.5° | 109.5° |
| H21 | C25 | H23 | 109.5° | 109.4° |
| H22 | C25 | H23 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | O12 | C10 | O11 | 83.4° | 0.3° |
| C13 | O12 | C10 | C09 | 96.1° | 179.9° |
| O12 | C13 | H1 | H2 | 120.0° | 120.0° |
| O12 | C13 | H1 | H3 | 120.0° | 120.0° |
| O12 | C13 | H2 | H3 | 120.0° | 120.1° |
| O12 | C10 | O11 | C09 | 179.5° | 179.7° |
| O12 | C10 | C09 | C08 | 167.5° | 179.7° |
| O12 | C10 | C09 | C14 | 33.5° | 0.1° |
| C10 | O12 | C13 | H1 | 180.0° | 180.0° |
| C10 | O12 | C13 | H2 | 60.0° | 60.0° |
| C10 | O12 | C13 | H3 | 60.0° | 60.1° |
| O11 | C10 | C09 | C08 | 12.1° | 0.1° |
| O11 | C10 | C09 | C14 | 147.0° | 179.8° |
| C17 | C18 | C19 | H19 | 180.0° | 179.7° |
| C18 | C17 | C16 | H4 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.3° | 0.3° |
| C18 | C17 | C16 | C15 | 0.4° | 0.0° |
| C18 | C17 | C16 | H18 | 179.6° | 180.0° |
| C17 | C18 | C19 | H20 | 179.7° | 180.0° |
| C19 | C18 | C17 | C16 | 0.1° | 0.3° |
| C18 | C19 | C20 | H20 | 180.0° | 179.7° |
| C18 | C19 | C20 | C15 | 0.0° | 0.0° |
| C18 | C19 | C20 | N21 | 180.0° | 180.0° |
| C19 | C18 | C17 | H4 | 179.9° | 179.7° |
| C17 | C16 | C15 | H18 | 180.0° | 180.0° |
| C17 | C16 | C15 | C20 | 0.7° | 0.3° |
| C17 | C16 | C15 | C14 | 179.6° | 180.0° |
| C16 | C17 | C18 | H19 | 179.8° | 180.0° |
| C10 | C09 | C08 | C24 | 25.2° | 0.5° |
| C10 | C09 | C14 | C15 | 70.6° | 75.9° |
| C10 | C09 | C08 | C14 | 159.0° | 179.9° |
| C10 | C09 | C08 | N07 | 142.1° | 179.6° |
| C10 | C09 | C14 | C05 | 171.1° | 163.7° |
| C10 | C09 | C14 | H17 | 48.2° | 43.6° |
| C19 | C20 | C15 | C16 | 0.5° | 0.3° |
| C19 | C20 | C15 | N21 | 180.0° | 180.0° |
| C19 | C20 | C15 | C14 | 179.4° | 180.0° |
| C19 | C20 | N21 | O22 | 145.1° | 139.3° |
| C19 | C20 | N21 | O23 | 34.9° | 40.7° |
| C20 | C19 | C18 | H19 | 179.7° | 180.0° |
| C16 | C15 | C20 | C14 | 178.9° | 179.7° |
| C16 | C15 | C20 | N21 | 179.5° | 179.7° |
| C16 | C15 | C14 | C09 | 46.4° | 52.7° |
| C16 | C15 | C14 | C05 | 75.7° | 68.6° |
| C15 | C16 | C17 | H4 | 179.6° | 180.0° |
| C16 | C15 | C14 | H17 | 165.3° | 172.1° |
| C20 | C15 | C14 | C09 | 134.8° | 127.6° |
| C15 | C20 | N21 | O22 | 34.9° | 40.7° |
| C15 | C20 | N21 | O23 | 145.1° | 139.3° |
| C20 | C15 | C14 | C05 | 103.2° | 111.1° |
| C20 | C15 | C14 | H17 | 15.8° | 8.2° |
| C20 | C15 | C16 | H18 | 179.3° | 179.7° |
| C15 | C20 | C19 | H20 | 180.0° | 179.7° |
| N21 | C20 | C15 | C14 | 0.6° | 0.0° |
| C20 | N21 | O22 | O23 | 180.0° | 180.0° |
| N21 | C20 | C19 | H20 | 0.0° | 0.3° |
| C24 | C08 | C09 | N07 | 167.3° | 179.9° |
| C24 | C08 | C09 | C14 | 175.7° | 179.4° |
| C24 | C08 | N07 | C06 | 160.2° | 162.3° |
| C08 | C24 | H5 | H6 | 120.0° | 120.1° |
| C08 | C24 | H5 | H7 | 120.0° | 120.0° |
| C08 | C24 | H6 | H7 | 120.0° | 119.9° |
| C24 | C08 | N07 | H13 | 19.8° | 17.7° |
| C15 | C14 | C09 | C08 | 130.5° | 104.0° |
| C15 | C14 | C09 | C05 | 118.3° | 120.5° |
| C15 | C14 | C09 | H17 | 118.8° | 119.4° |
| C15 | C14 | C05 | H17 | 118.8° | 119.4° |
| C15 | C14 | C05 | C06 | 145.9° | 103.9° |
| C15 | C14 | C05 | C02 | 52.3° | 75.9° |
| C14 | C15 | C16 | H18 | 0.4° | 0.0° |
| C08 | C09 | C14 | C05 | 12.3° | 16.5° |
| C09 | C08 | N07 | C06 | 32.4° | 17.7° |
| C09 | C08 | C24 | H5 | 180.0° | 180.0° |
| C09 | C08 | C24 | H6 | 60.0° | 59.9° |
| C09 | C08 | C24 | H7 | 60.0° | 60.0° |
| C09 | C08 | N07 | H13 | 147.6° | 162.3° |
| C08 | C09 | C14 | H17 | 110.7° | 136.6° |
| C14 | C09 | C08 | N07 | 17.0° | 0.6° |
| C09 | C14 | C05 | H17 | 122.9° | 120.2° |
| C09 | C14 | C05 | C06 | 27.7° | 16.5° |
| C09 | C14 | C05 | C02 | 170.5° | 163.7° |
| C08 | N07 | C06 | C05 | 16.6° | 17.7° |
| C08 | N07 | C06 | H13 | 180.0° | 180.0° |
| C08 | N07 | C06 | C25 | 141.0° | 162.3° |
| N07 | C08 | C24 | H5 | 12.7° | 0.1° |
| N07 | C08 | C24 | H6 | 132.7° | 120.0° |
| N07 | C08 | C24 | H7 | 107.3° | 120.0° |
| C14 | C05 | C06 | C02 | 161.8° | 179.8° |
| C14 | C05 | C06 | N07 | 14.3° | 0.6° |
| C14 | C05 | C02 | O03 | 13.4° | 100.1° |
| C14 | C05 | C06 | C25 | 172.2° | 179.4° |
| C14 | C05 | C02 | O01 | 167.0° | 80.0° |
| C05 | C06 | N07 | C25 | 157.6° | 179.9° |
| C06 | C05 | C02 | O03 | 148.7° | 79.7° |
| C06 | C05 | C02 | O01 | 30.9° | 100.3° |
| C05 | C06 | N07 | H13 | 163.4° | 162.3° |
| C06 | C05 | C14 | H17 | 95.3° | 136.7° |
| C05 | C06 | C25 | H21 | 180.0° | 84.5° |
| C05 | C06 | C25 | H22 | 60.0° | 155.5° |
| C05 | C06 | C25 | H23 | 60.0° | 35.5° |
| C02 | C05 | C06 | N07 | 176.2° | 179.7° |
| C05 | C02 | O03 | O01 | 179.6° | 180.0° |
| C05 | C02 | O03 | C04 | 155.4° | 180.0° |
| C02 | C05 | C06 | C25 | 26.0° | 0.4° |
| C02 | C05 | C14 | H17 | 66.6° | 43.5° |
| N07 | C06 | C25 | H21 | 22.4° | 95.5° |
| N07 | C06 | C25 | H22 | 142.4° | 24.6° |
| N07 | C06 | C25 | H23 | 97.6° | 144.5° |
| C02 | O03 | C04 | H8 | 180.0° | 179.9° |
| C02 | O03 | C04 | H9 | 60.0° | 60.0° |
| C02 | O03 | C04 | H10 | 60.0° | 60.0° |
| C04 | O03 | C02 | O01 | 24.2° | 0.0° |
| O03 | C04 | H8 | H9 | 120.0° | 120.0° |
| O03 | C04 | H8 | H10 | 120.0° | 119.9° |
| O03 | C04 | H9 | H10 | 120.0° | 120.0° |
| C25 | C06 | N07 | H13 | 39.0° | 17.7° |
| C06 | C25 | H21 | H22 | 120.0° | 120.0° |
| C06 | C25 | H21 | H23 | 120.0° | 120.0° |
| C06 | C25 | H22 | H23 | 120.0° | 120.0° |
| H1 | C13 | H2 | H3 | 120.0° | 120.0° |
| H4 | C17 | C16 | H18 | 0.4° | 0.0° |
| H4 | C17 | C18 | H19 | 0.1° | 0.0° |
| H5 | C24 | H6 | H7 | 120.0° | 120.0° |
| H8 | C04 | H9 | H10 | 120.0° | 120.0° |
| H19 | C18 | C19 | H20 | 0.3° | 0.3° |
| H21 | C25 | H22 | H23 | 120.0° | 119.9° |
