7UR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C29 | sing | 1.36Å | 1.39Å | Aromatic |
| C28 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | C30 | doub | 1.40Å | 1.41Å | Aromatic |
| F01 | C02 | sing | 1.35Å | 1.37Å | |
| C27 | C26 | sing | 1.36Å | 1.39Å | Aromatic |
| C30 | C02 | sing | 1.41Å | 1.41Å | Aromatic |
| C30 | C25 | sing | 1.42Å | 1.37Å | Aromatic |
| C02 | C03 | doub | 1.36Å | 1.39Å | Aromatic |
| C26 | C25 | doub | 1.41Å | 1.41Å | Aromatic |
| C25 | C05 | sing | 1.40Å | 1.41Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| O22 | C20 | doub | 1.21Å | 1.26Å | |
| C05 | C04 | doub | 1.36Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.51Å | 1.54Å | |
| C20 | C19 | sing | 1.51Å | 1.53Å | |
| C20 | O21 | sing | 1.34Å | 1.26Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C06 | C24 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | sing | 1.51Å | 1.53Å | |
| N08 | C07 | sing | 1.35Å | 1.45Å | |
| N08 | C09 | sing | 1.40Å | 1.45Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C07 | O23 | doub | 1.21Å | 1.18Å | |
| C09 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C09 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.53Å | |
| C10 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.43Å | 1.53Å | |
| C11 | C14 | doub | 1.40Å | 1.38Å | Aromatic |
| C12 | N13 | trip | 1.14Å | 1.13Å | |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.08Å | 1.08Å | |
| C28 | H9 | sing | 1.08Å | 1.08Å | |
| C03 | H10 | sing | 1.08Å | 1.08Å | |
| C04 | H11 | sing | 1.08Å | 1.08Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| N08 | H13 | sing | 0.97Å | 1.00Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| O21 | H19 | sing | 0.97Å | 0.95Å | |
| C27 | H20 | sing | 1.08Å | 1.08Å | |
| C29 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C28 | C27 | 120.0° | 121.0° |
| C28 | C29 | C30 | 120.1° | 119.6° |
| C29 | C28 | H9 | 120.0° | 119.5° |
| C28 | C29 | H21 | 119.9° | 120.1° |
| C28 | C27 | C26 | 119.8° | 121.0° |
| C27 | C28 | H9 | 120.0° | 119.5° |
| C28 | C27 | H20 | 120.1° | 119.5° |
| C29 | C30 | C02 | 120.3° | 121.2° |
| C29 | C30 | C25 | 119.8° | 119.4° |
| C30 | C29 | H21 | 120.0° | 120.2° |
| F01 | C02 | C30 | 120.0° | 120.2° |
| F01 | C02 | C03 | 120.0° | 120.2° |
| C27 | C26 | C25 | 120.2° | 119.6° |
| C27 | C26 | H8 | 119.9° | 120.2° |
| C26 | C27 | H20 | 120.1° | 119.4° |
| C02 | C30 | C25 | 119.9° | 119.3° |
| C30 | C02 | C03 | 120.0° | 119.6° |
| C30 | C25 | C26 | 119.9° | 119.4° |
| C30 | C25 | C05 | 120.1° | 119.4° |
| C02 | C03 | C04 | 120.1° | 121.0° |
| C02 | C03 | H10 | 119.9° | 119.5° |
| C26 | C25 | C05 | 119.9° | 121.3° |
| C25 | C26 | H8 | 119.9° | 120.2° |
| C25 | C05 | C04 | 120.0° | 119.7° |
| C25 | C05 | C06 | 119.7° | 120.2° |
| C03 | C04 | C05 | 119.9° | 121.0° |
| C04 | C03 | H10 | 119.9° | 119.5° |
| C03 | C04 | H11 | 120.1° | 119.5° |
| O22 | C20 | C19 | 119.7° | 120.0° |
| O22 | C20 | O21 | 119.9° | 120.1° |
| C04 | C05 | C06 | 120.3° | 120.1° |
| C05 | C04 | H11 | 120.0° | 119.5° |
| C05 | C06 | C24 | 110.6° | 109.4° |
| C05 | C06 | C07 | 113.4° | 109.5° |
| C05 | C06 | H12 | 107.3° | 109.4° |
| C19 | C20 | O21 | 120.4° | 120.0° |
| C20 | C19 | C18 | 112.9° | 109.4° |
| C20 | C19 | H17 | 108.6° | 109.5° |
| C20 | C19 | H18 | 108.6° | 109.4° |
| C20 | O21 | H19 | 109.5° | 117.0° |
| C19 | C18 | C17 | 113.4° | 109.4° |
| C19 | C18 | H15 | 108.5° | 109.5° |
| C19 | C18 | H16 | 108.5° | 109.5° |
| C18 | C19 | H17 | 108.6° | 109.5° |
| C18 | C19 | H18 | 108.6° | 109.5° |
| C24 | C06 | C07 | 110.4° | 109.5° |
| C06 | C24 | H5 | 109.5° | 109.4° |
| C06 | C24 | H6 | 109.4° | 109.5° |
| C06 | C24 | H7 | 109.5° | 109.5° |
| C24 | C06 | H12 | 107.5° | 109.5° |
| C06 | C07 | N08 | 121.7° | 120.0° |
| C06 | C07 | O23 | 119.3° | 120.0° |
| C07 | C06 | H12 | 107.4° | 109.5° |
| C07 | N08 | C09 | 118.8° | 120.0° |
| N08 | C07 | O23 | 119.0° | 120.0° |
| C07 | N08 | H13 | 120.6° | 119.9° |
| N08 | C09 | C10 | 121.1° | 120.0° |
| N08 | C09 | C16 | 119.5° | 120.0° |
| C09 | N08 | H13 | 120.6° | 120.0° |
| C18 | C17 | C16 | 111.3° | 109.5° |
| C18 | C17 | H3 | 109.0° | 109.5° |
| C18 | C17 | H4 | 109.0° | 109.5° |
| C17 | C18 | H15 | 108.5° | 109.4° |
| C17 | C18 | H16 | 108.5° | 109.5° |
| C10 | C09 | C16 | 119.4° | 120.0° |
| C09 | C10 | C11 | 120.7° | 119.8° |
| C09 | C10 | H1 | 119.7° | 120.1° |
| C09 | C16 | C17 | 119.5° | 119.9° |
| C09 | C16 | C15 | 120.2° | 120.2° |
| C17 | C16 | C15 | 120.3° | 119.9° |
| C16 | C17 | H3 | 109.0° | 109.4° |
| C16 | C17 | H4 | 109.0° | 109.5° |
| C10 | C11 | C12 | 119.4° | 120.1° |
| C10 | C11 | C14 | 119.9° | 119.8° |
| C11 | C10 | H1 | 119.7° | 120.1° |
| C16 | C15 | C14 | 120.4° | 120.2° |
| C16 | C15 | H2 | 119.8° | 119.9° |
| C12 | C11 | C14 | 120.7° | 120.1° |
| C11 | C12 | N13 | 179.4° | 180.0° |
| C11 | C14 | C15 | 119.5° | 120.0° |
| C11 | C14 | H14 | 120.2° | 120.0° |
| C14 | C15 | H2 | 119.8° | 119.8° |
| C15 | C14 | H14 | 120.3° | 120.0° |
| H3 | C17 | H4 | 109.5° | 109.5° |
| H5 | C24 | H6 | 109.5° | 109.4° |
| H5 | C24 | H7 | 109.4° | 109.4° |
| H6 | C24 | H7 | 109.5° | 109.5° |
| H15 | C18 | H16 | 109.5° | 109.5° |
| H17 | C19 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C28 | C27 | H9 | 180.0° | 179.2° |
| C28 | C29 | C30 | H21 | 180.0° | 179.2° |
| C29 | C28 | C27 | C26 | 0.1° | 0.5° |
| C28 | C29 | C30 | C02 | 179.9° | 180.0° |
| C28 | C29 | C30 | C25 | 0.0° | 0.5° |
| C29 | C28 | C27 | H20 | 179.9° | 179.5° |
| C27 | C28 | C29 | C30 | 0.0° | 0.8° |
| C28 | C27 | C26 | H20 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 0.1° | 0.0° |
| C28 | C27 | C26 | H8 | 179.9° | 179.7° |
| C27 | C28 | C29 | H21 | 180.0° | 180.0° |
| C29 | C30 | C02 | F01 | 0.1° | 0.0° |
| C29 | C30 | C02 | C25 | 180.0° | 179.5° |
| C29 | C30 | C02 | C03 | 180.0° | 180.0° |
| C29 | C30 | C25 | C26 | 0.0° | 0.0° |
| C29 | C30 | C25 | C05 | 179.8° | 180.0° |
| C30 | C29 | C28 | H9 | 180.0° | 180.0° |
| F01 | C02 | C30 | C03 | 179.9° | 180.0° |
| F01 | C02 | C30 | C25 | 179.9° | 179.4° |
| F01 | C02 | C03 | C04 | 179.9° | 180.0° |
| F01 | C02 | C03 | H10 | 0.1° | 0.0° |
| C27 | C26 | C25 | C30 | 0.1° | 0.3° |
| C27 | C26 | C25 | H8 | 180.0° | 179.7° |
| C27 | C26 | C25 | C05 | 179.9° | 179.8° |
| C26 | C27 | C28 | H9 | 179.9° | 179.7° |
| C02 | C30 | C25 | C26 | 180.0° | 179.4° |
| C02 | C30 | C25 | C05 | 0.2° | 0.5° |
| C30 | C02 | C03 | C04 | 0.0° | 0.0° |
| C30 | C02 | C03 | H10 | 180.0° | 180.0° |
| C02 | C30 | C29 | H21 | 0.0° | 0.8° |
| C25 | C30 | C02 | C03 | 0.0° | 0.6° |
| C30 | C25 | C26 | C05 | 179.8° | 179.9° |
| C30 | C25 | C05 | C04 | 0.3° | 0.1° |
| C30 | C25 | C05 | C06 | 179.8° | 179.5° |
| C30 | C25 | C26 | H8 | 179.9° | 180.0° |
| C25 | C30 | C29 | H21 | 180.0° | 179.7° |
| C02 | C03 | C04 | H10 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.1° | 0.5° |
| C02 | C03 | C04 | H11 | 179.9° | 179.9° |
| C26 | C25 | C05 | C04 | 179.8° | 180.0° |
| C26 | C25 | C05 | C06 | 0.3° | 0.6° |
| C25 | C26 | C27 | H20 | 179.9° | 179.9° |
| C25 | C05 | C04 | C03 | 0.3° | 0.6° |
| C25 | C05 | C04 | C06 | 179.5° | 179.4° |
| C25 | C05 | C06 | C24 | 92.0° | 114.7° |
| C25 | C05 | C06 | C07 | 143.4° | 125.2° |
| C05 | C25 | C26 | H8 | 0.1° | 0.1° |
| C25 | C05 | C04 | H11 | 179.7° | 180.0° |
| C25 | C05 | C06 | H12 | 25.0° | 5.3° |
| C03 | C04 | C05 | H11 | 180.0° | 179.4° |
| C03 | C04 | C05 | C06 | 179.8° | 180.0° |
| O22 | C20 | C19 | O21 | 179.9° | 180.0° |
| O22 | C20 | C19 | C18 | 85.1° | 0.0° |
| O22 | C20 | C19 | H17 | 35.4° | 120.0° |
| O22 | C20 | C19 | H18 | 154.4° | 120.0° |
| O22 | C20 | O21 | H19 | 0.0° | 0.0° |
| C04 | C05 | C06 | C24 | 87.5° | 64.7° |
| C04 | C05 | C06 | C07 | 37.1° | 55.4° |
| C05 | C04 | C03 | H10 | 179.9° | 179.4° |
| C04 | C05 | C06 | H12 | 155.5° | 175.3° |
| C05 | C06 | C24 | C07 | 126.3° | 120.0° |
| C05 | C06 | C24 | H12 | 116.8° | 119.9° |
| C05 | C06 | C07 | H12 | 118.4° | 119.9° |
| C05 | C06 | C07 | N08 | 56.5° | 180.0° |
| C05 | C06 | C07 | O23 | 124.4° | 0.0° |
| C05 | C06 | C24 | H5 | 180.0° | 180.0° |
| C05 | C06 | C24 | H6 | 60.0° | 60.0° |
| C05 | C06 | C24 | H7 | 60.0° | 60.1° |
| C06 | C05 | C04 | H11 | 0.2° | 0.6° |
| C20 | C19 | C18 | H17 | 120.5° | 120.0° |
| C20 | C19 | C18 | H18 | 120.5° | 119.9° |
| C20 | C19 | C18 | C17 | 66.2° | 180.0° |
| C20 | C19 | C18 | H15 | 54.4° | 60.0° |
| C20 | C19 | C18 | H16 | 173.2° | 60.0° |
| C20 | C19 | H17 | H18 | 118.4° | 120.0° |
| C19 | C20 | O21 | H19 | 180.0° | 180.0° |
| O21 | C20 | C19 | C18 | 94.8° | 180.0° |
| O21 | C20 | C19 | H17 | 144.7° | 60.0° |
| O21 | C20 | C19 | H18 | 25.7° | 60.0° |
| C19 | C18 | C17 | H15 | 120.6° | 120.0° |
| C19 | C18 | C17 | H16 | 120.6° | 120.0° |
| C19 | C18 | C17 | C16 | 169.7° | 180.0° |
| C19 | C18 | C17 | H3 | 70.1° | 60.1° |
| C19 | C18 | C17 | H4 | 49.4° | 60.0° |
| C19 | C18 | H15 | H16 | 118.2° | 120.1° |
| C18 | C19 | H17 | H18 | 118.4° | 120.1° |
| C24 | C06 | C07 | H12 | 116.9° | 120.1° |
| C24 | C06 | C07 | N08 | 178.8° | 60.0° |
| C24 | C06 | C07 | O23 | 0.4° | 120.0° |
| C06 | C24 | H5 | H6 | 120.0° | 120.0° |
| C06 | C24 | H5 | H7 | 120.0° | 120.0° |
| C06 | C24 | H6 | H7 | 120.0° | 120.1° |
| C06 | C07 | N08 | O23 | 179.2° | 179.9° |
| C06 | C07 | N08 | C09 | 179.3° | 176.1° |
| C07 | C06 | C24 | H5 | 53.7° | 60.0° |
| C07 | C06 | C24 | H6 | 173.7° | 180.0° |
| C07 | C06 | C24 | H7 | 66.3° | 59.9° |
| C06 | C07 | N08 | H13 | 0.7° | 3.9° |
| C07 | N08 | C09 | H13 | 180.0° | 180.0° |
| C07 | N08 | C09 | C10 | 82.9° | 25.5° |
| C07 | N08 | C09 | C16 | 96.1° | 154.5° |
| N08 | C07 | C06 | H12 | 61.9° | 60.0° |
| C09 | N08 | C07 | O23 | 0.2° | 3.9° |
| N08 | C09 | C10 | C16 | 179.0° | 180.0° |
| N08 | C09 | C16 | C17 | 0.7° | 0.0° |
| N08 | C09 | C10 | C11 | 179.7° | 180.0° |
| N08 | C09 | C16 | C15 | 179.7° | 179.4° |
| N08 | C09 | C10 | H1 | 0.3° | 0.3° |
| C18 | C17 | C16 | C09 | 89.8° | 85.0° |
| C18 | C17 | C16 | H3 | 120.3° | 120.0° |
| C18 | C17 | C16 | H4 | 120.3° | 120.0° |
| C18 | C17 | C16 | C15 | 89.8° | 95.5° |
| C18 | C17 | H3 | H4 | 119.2° | 120.1° |
| C17 | C18 | H15 | H16 | 118.2° | 120.0° |
| C17 | C18 | C19 | H17 | 173.3° | 60.0° |
| C17 | C18 | C19 | H18 | 54.3° | 60.1° |
| O23 | C07 | C06 | H12 | 117.3° | 119.9° |
| O23 | C07 | N08 | H13 | 179.9° | 176.2° |
| C10 | C09 | C16 | C17 | 179.8° | 180.0° |
| C09 | C10 | C11 | H1 | 180.0° | 179.6° |
| C10 | C09 | C16 | C15 | 0.6° | 0.6° |
| C09 | C10 | C11 | C12 | 179.6° | 179.7° |
| C09 | C10 | C11 | C14 | 0.4° | 0.3° |
| C10 | C09 | N08 | H13 | 97.1° | 154.5° |
| C09 | C16 | C17 | C15 | 179.6° | 179.4° |
| C16 | C09 | C10 | C11 | 0.7° | 0.0° |
| C09 | C16 | C15 | C14 | 0.2° | 0.8° |
| C16 | C09 | C10 | H1 | 179.3° | 179.7° |
| C09 | C16 | C15 | H2 | 179.8° | 179.7° |
| C09 | C16 | C17 | H3 | 149.9° | 155.0° |
| C09 | C16 | C17 | H4 | 30.4° | 35.0° |
| C16 | C09 | N08 | H13 | 83.9° | 25.5° |
| C17 | C16 | C15 | C14 | 179.8° | 179.7° |
| C17 | C16 | C15 | H2 | 0.2° | 0.2° |
| C16 | C17 | H3 | H4 | 119.2° | 120.0° |
| C16 | C17 | C18 | H15 | 49.1° | 60.0° |
| C16 | C17 | C18 | H16 | 69.8° | 60.0° |
| C10 | C11 | C12 | C14 | 180.0° | 179.9° |
| C10 | C11 | C12 | N13 | 0.4° | 117.5° |
| C10 | C11 | C14 | C15 | 0.1° | 0.1° |
| C10 | C11 | C14 | H14 | 179.9° | 179.4° |
| C16 | C15 | C14 | C11 | 0.2° | 0.5° |
| C16 | C15 | C14 | H2 | 180.0° | 179.5° |
| C15 | C16 | C17 | H3 | 30.5° | 24.4° |
| C15 | C16 | C17 | H4 | 150.0° | 144.4° |
| C16 | C15 | C14 | H14 | 179.8° | 179.9° |
| C12 | C11 | C14 | C15 | 180.0° | 180.0° |
| C12 | C11 | C10 | H1 | 0.4° | 0.1° |
| C12 | C11 | C14 | H14 | 0.1° | 0.6° |
| C14 | C11 | C12 | N13 | 179.6° | 62.5° |
| C11 | C14 | C15 | H14 | 180.0° | 179.4° |
| C14 | C11 | C10 | H1 | 179.6° | 180.0° |
| C11 | C14 | C15 | H2 | 179.9° | 180.0° |
| H2 | C15 | C14 | H14 | 0.2° | 0.6° |
| H3 | C17 | C18 | H15 | 169.4° | 179.9° |
| H3 | C17 | C18 | H16 | 50.5° | 60.0° |
| H4 | C17 | C18 | H15 | 71.2° | 60.0° |
| H4 | C17 | C18 | H16 | 170.0° | 180.0° |
| H5 | C24 | H6 | H7 | 120.0° | 120.0° |
| H5 | C24 | C06 | H12 | 63.2° | 60.1° |
| H6 | C24 | C06 | H12 | 56.9° | 59.9° |
| H7 | C24 | C06 | H12 | 176.9° | 180.0° |
| H8 | C26 | C27 | H20 | 0.1° | 0.3° |
| H9 | C28 | C27 | H20 | 0.1° | 0.3° |
| H9 | C28 | C29 | H21 | 0.0° | 0.8° |
| H10 | C03 | C04 | H11 | 0.1° | 0.0° |
| H15 | C18 | C19 | H17 | 66.1° | 60.0° |
| H15 | C18 | C19 | H18 | 174.9° | 180.0° |
| H16 | C18 | C19 | H17 | 52.7° | 180.0° |
| H16 | C18 | C19 | H18 | 66.3° | 59.9° |
