7V6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C07 | sing | 1.43Å | 1.41Å | |
| C03 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.40Å | 1.38Å | Aromatic |
| O04 | C16 | doub | 1.21Å | 1.25Å | |
| C07 | C04 | sing | 1.51Å | 1.55Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C09 | C10 | sing | 1.51Å | 1.54Å | |
| C01 | B | sing | 1.57Å | 1.57Å | |
| C01 | C06 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | O03 | sing | 1.35Å | 1.26Å | |
| C16 | C14 | sing | 1.47Å | 1.52Å | |
| C05 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.40Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | O02 | sing | 1.36Å | 1.40Å | |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| O01 | H9 | sing | 0.97Å | 0.95Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| O02 | H14 | sing | 0.97Å | 0.95Å | |
| B | H15 | sing | 1.17Å | 1.20Å | |
| B | H16 | sing | 1.17Å | 1.20Å | |
| O03 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C07 | C04 | 110.4° | 109.5° |
| O01 | C07 | C08 | 107.9° | 109.5° |
| O01 | C07 | H6 | 107.5° | 109.5° |
| C07 | O01 | H9 | 109.5° | 114.0° |
| C02 | C03 | C04 | 124.3° | 120.2° |
| C03 | C02 | C01 | 118.2° | 119.8° |
| C03 | C02 | H2 | 120.9° | 120.1° |
| C02 | C03 | H3 | 117.9° | 120.0° |
| C03 | C04 | C07 | 118.0° | 119.9° |
| C03 | C04 | C05 | 116.9° | 120.2° |
| C04 | C03 | H3 | 117.9° | 119.9° |
| C02 | C01 | B | 119.1° | 120.1° |
| C02 | C01 | C06 | 119.5° | 119.8° |
| C01 | C02 | H2 | 120.9° | 120.1° |
| O04 | C16 | O03 | 120.1° | 120.0° |
| O04 | C16 | C14 | 119.1° | 120.0° |
| C04 | C07 | C08 | 118.6° | 109.5° |
| C07 | C04 | C05 | 125.1° | 119.9° |
| C04 | C07 | H6 | 105.8° | 109.5° |
| C07 | C08 | C09 | 110.1° | 109.5° |
| C08 | C07 | H6 | 106.0° | 109.5° |
| C07 | C08 | H7 | 109.3° | 109.5° |
| C07 | C08 | H8 | 109.3° | 109.5° |
| C04 | C05 | C06 | 120.3° | 120.2° |
| C04 | C05 | H4 | 119.9° | 119.9° |
| C08 | C09 | C10 | 116.6° | 109.5° |
| C09 | C08 | H7 | 109.3° | 109.5° |
| C09 | C08 | H8 | 109.3° | 109.4° |
| C08 | C09 | H10 | 107.7° | 109.5° |
| C08 | C09 | H11 | 107.6° | 109.5° |
| C09 | C10 | C15 | 119.2° | 119.9° |
| C09 | C10 | C11 | 122.1° | 119.8° |
| C10 | C09 | H10 | 107.7° | 109.4° |
| C10 | C09 | H11 | 107.6° | 109.5° |
| B | C01 | C06 | 121.4° | 120.1° |
| C01 | B | H15 | 120.0° | 120.0° |
| C01 | B | H16 | 120.0° | 120.1° |
| C01 | C06 | C05 | 120.9° | 119.8° |
| C01 | C06 | H5 | 119.5° | 120.1° |
| C10 | C15 | C14 | 121.0° | 119.9° |
| C15 | C10 | C11 | 118.6° | 120.3° |
| C10 | C15 | H1 | 119.5° | 120.0° |
| C15 | C14 | C16 | 121.8° | 120.2° |
| C15 | C14 | C13 | 120.1° | 119.6° |
| C14 | C15 | H1 | 119.5° | 120.1° |
| O03 | C16 | C14 | 120.8° | 120.0° |
| C16 | O03 | H17 | 109.5° | 116.9° |
| C16 | C14 | C13 | 118.1° | 120.2° |
| C06 | C05 | H4 | 119.9° | 119.9° |
| C05 | C06 | H5 | 119.5° | 120.1° |
| C10 | C11 | C12 | 120.5° | 120.4° |
| C10 | C11 | H12 | 119.8° | 119.8° |
| C14 | C13 | O02 | 117.7° | 120.1° |
| C14 | C13 | C12 | 119.8° | 119.7° |
| C11 | C12 | C13 | 120.1° | 120.1° |
| C12 | C11 | H12 | 119.8° | 119.8° |
| C11 | C12 | H13 | 119.9° | 120.0° |
| O02 | C13 | C12 | 122.5° | 120.2° |
| C13 | O02 | H14 | 109.5° | 114.0° |
| C13 | C12 | H13 | 120.0° | 119.9° |
| H7 | C08 | H8 | 109.4° | 109.5° |
| H10 | C09 | H11 | 109.5° | 109.4° |
| H15 | B | H16 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C07 | C04 | C03 | 68.3° | 140.0° |
| O01 | C07 | C04 | C08 | 125.2° | 120.0° |
| O01 | C07 | C04 | H6 | 116.1° | 120.0° |
| O01 | C07 | C08 | H6 | 115.0° | 120.0° |
| O01 | C07 | C04 | C05 | 111.3° | 40.0° |
| O01 | C07 | C08 | C09 | 58.9° | 65.0° |
| O01 | C07 | C08 | H7 | 179.0° | 175.0° |
| O01 | C07 | C08 | H8 | 61.2° | 55.0° |
| C02 | C03 | C04 | H3 | 180.0° | 180.0° |
| C03 | C02 | C01 | H2 | 180.0° | 180.0° |
| C02 | C03 | C04 | C07 | 179.8° | 180.0° |
| C02 | C03 | C04 | C05 | 0.2° | 0.0° |
| C03 | C02 | C01 | B | 179.9° | 180.0° |
| C03 | C02 | C01 | C06 | 0.0° | 0.3° |
| C04 | C03 | C02 | C01 | 0.1° | 0.0° |
| C03 | C04 | C07 | C05 | 179.6° | 180.0° |
| C03 | C04 | C07 | C08 | 166.5° | 100.0° |
| C03 | C04 | C05 | C06 | 0.3° | 0.3° |
| C04 | C03 | C02 | H2 | 179.9° | 180.0° |
| C03 | C04 | C05 | H4 | 179.7° | 180.0° |
| C03 | C04 | C07 | H6 | 47.8° | 20.0° |
| C02 | C01 | B | C06 | 179.9° | 179.7° |
| C02 | C01 | C06 | C05 | 0.1° | 0.6° |
| C01 | C02 | C03 | H3 | 179.9° | 180.0° |
| C02 | C01 | C06 | H5 | 179.9° | 179.8° |
| C02 | C01 | B | H15 | 179.9° | 179.7° |
| C02 | C01 | B | H16 | 0.1° | 0.3° |
| O04 | C16 | C14 | C15 | 52.6° | 180.0° |
| O04 | C16 | O03 | C14 | 179.2° | 180.0° |
| O04 | C16 | C14 | C13 | 126.7° | 0.0° |
| O04 | C16 | O03 | H17 | 0.0° | 0.0° |
| C04 | C07 | C08 | H6 | 118.7° | 120.0° |
| C04 | C07 | C08 | C09 | 174.7° | 175.0° |
| C07 | C04 | C05 | C06 | 179.9° | 179.7° |
| C07 | C04 | C03 | H3 | 0.1° | 0.0° |
| C07 | C04 | C05 | H4 | 0.2° | 0.0° |
| C04 | C07 | C08 | H7 | 54.6° | 55.0° |
| C04 | C07 | C08 | H8 | 65.2° | 65.0° |
| C04 | C07 | O01 | H9 | 180.0° | 60.0° |
| C08 | C07 | C04 | C05 | 13.9° | 80.0° |
| C07 | C08 | C09 | H7 | 120.1° | 120.0° |
| C07 | C08 | C09 | H8 | 120.1° | 120.0° |
| C07 | C08 | C09 | C10 | 178.8° | 180.0° |
| C07 | C08 | H7 | H8 | 119.7° | 120.0° |
| C08 | C07 | O01 | H9 | 48.9° | 60.0° |
| C07 | C08 | C09 | H10 | 57.7° | 60.0° |
| C07 | C08 | C09 | H11 | 60.2° | 60.0° |
| C04 | C05 | C06 | C01 | 0.2° | 0.6° |
| C04 | C05 | C06 | H4 | 180.0° | 179.7° |
| C05 | C04 | C03 | H3 | 179.7° | 180.0° |
| C04 | C05 | C06 | H5 | 179.8° | 179.8° |
| C05 | C04 | C07 | H6 | 132.6° | 160.0° |
| C08 | C09 | C10 | H10 | 121.1° | 120.0° |
| C08 | C09 | C10 | H11 | 121.0° | 120.0° |
| C08 | C09 | C10 | C15 | 136.6° | 90.2° |
| C08 | C09 | C10 | C11 | 44.6° | 90.0° |
| C09 | C08 | C07 | H6 | 56.0° | 55.0° |
| C09 | C08 | H7 | H8 | 119.7° | 120.0° |
| C08 | C09 | H10 | H11 | 116.7° | 120.0° |
| C09 | C10 | C15 | C11 | 178.8° | 179.8° |
| C09 | C10 | C15 | C14 | 179.8° | 179.8° |
| C09 | C10 | C11 | C12 | 179.7° | 179.8° |
| C09 | C10 | C15 | H1 | 0.2° | 0.2° |
| C10 | C09 | C08 | H7 | 61.1° | 60.0° |
| C10 | C09 | C08 | H8 | 58.7° | 60.0° |
| C10 | C09 | H10 | H11 | 116.7° | 120.0° |
| C09 | C10 | C11 | H12 | 0.3° | 0.2° |
| B | C01 | C06 | C05 | 180.0° | 179.7° |
| B | C01 | C02 | H2 | 0.1° | 0.0° |
| B | C01 | C06 | H5 | 0.0° | 0.1° |
| C01 | B | H15 | H16 | 180.0° | 180.0° |
| C01 | C06 | C05 | H5 | 180.0° | 179.6° |
| C06 | C01 | C02 | H2 | 180.0° | 179.7° |
| C01 | C06 | C05 | H4 | 179.8° | 179.7° |
| C06 | C01 | B | H15 | 0.0° | 0.1° |
| C06 | C01 | B | H16 | 180.0° | 180.0° |
| C10 | C15 | C14 | H1 | 180.0° | 180.0° |
| C10 | C15 | C14 | C16 | 179.9° | 180.0° |
| C10 | C15 | C14 | C13 | 0.7° | 0.0° |
| C15 | C10 | C11 | C12 | 0.9° | 0.0° |
| C15 | C10 | C09 | H10 | 15.5° | 29.8° |
| C15 | C10 | C09 | H11 | 102.4° | 149.7° |
| C15 | C10 | C11 | H12 | 179.1° | 180.0° |
| C15 | C14 | C16 | O03 | 128.2° | 0.0° |
| C15 | C14 | C16 | C13 | 179.2° | 180.0° |
| C14 | C15 | C10 | C11 | 1.0° | 0.0° |
| C15 | C14 | C13 | O02 | 179.9° | 180.0° |
| C15 | C14 | C13 | C12 | 0.3° | 0.0° |
| O03 | C16 | C14 | C13 | 52.6° | 180.0° |
| C16 | C14 | C13 | O02 | 0.8° | 0.0° |
| C16 | C14 | C13 | C12 | 179.5° | 180.0° |
| C16 | C14 | C15 | H1 | 0.1° | 0.0° |
| C14 | C16 | O03 | H17 | 179.2° | 180.0° |
| C10 | C11 | C12 | H12 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.4° | 0.0° |
| C11 | C10 | C15 | H1 | 179.0° | 180.0° |
| C11 | C10 | C09 | H10 | 165.7° | 150.0° |
| C11 | C10 | C09 | H11 | 76.4° | 30.0° |
| C10 | C11 | C12 | H13 | 179.5° | 179.9° |
| C14 | C13 | C12 | C11 | 0.1° | 0.0° |
| C14 | C13 | O02 | C12 | 179.6° | 179.9° |
| C13 | C14 | C15 | H1 | 179.3° | 180.0° |
| C14 | C13 | C12 | H13 | 179.8° | 180.0° |
| C14 | C13 | O02 | H14 | 180.0° | 90.0° |
| C11 | C12 | C13 | O02 | 179.8° | 180.0° |
| C11 | C12 | C13 | H13 | 180.0° | 179.9° |
| O02 | C13 | C12 | H13 | 0.2° | 0.1° |
| C13 | C12 | C11 | H12 | 179.5° | 180.0° |
| C12 | C13 | O02 | H14 | 0.4° | 90.0° |
| H2 | C02 | C03 | H3 | 0.1° | 0.0° |
| H4 | C05 | C06 | H5 | 0.2° | 0.1° |
| H6 | C07 | C08 | H7 | 64.1° | 64.9° |
| H6 | C07 | C08 | H8 | 176.1° | 175.0° |
| H6 | C07 | O01 | H9 | 65.0° | 180.0° |
| H7 | C08 | C09 | H10 | 177.8° | 60.0° |
| H7 | C08 | C09 | H11 | 59.9° | 180.0° |
| H8 | C08 | C09 | H10 | 62.4° | 180.0° |
| H8 | C08 | C09 | H11 | 179.7° | 60.0° |
| H12 | C11 | C12 | H13 | 0.5° | 0.1° |
