W8C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | sing | 1.36Å | 1.37Å | Aromatic |
| N01 | C03 | sing | 1.37Å | 1.36Å | Aromatic |
| C02 | N04 | doub | 1.31Å | 1.32Å | Aromatic |
| C03 | N05 | doub | 1.31Å | 1.32Å | Aromatic |
| N04 | N05 | sing | 1.40Å | 1.39Å | Aromatic |
| C02 | O06 | sing | 1.36Å | 1.41Å | |
| C03 | S07 | sing | 1.76Å | 1.69Å | |
| N01 | C08 | sing | 1.47Å | 1.50Å | |
| C08 | C09 | sing | 1.51Å | 1.51Å | |
| C09 | C10 | doub | 1.31Å | 1.35Å | |
| O06 | C11 | sing | 1.43Å | 1.43Å | |
| C11 | C12 | sing | 1.51Å | 1.45Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C15 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | H23 | sing | 1.08Å | 1.08Å | |
| C10 | H22 | sing | 1.08Å | 1.08Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C13 | H26 | sing | 1.08Å | 1.08Å | |
| C15 | H28 | sing | 1.08Å | 1.08Å | |
| C16 | H29 | sing | 1.08Å | 1.08Å | |
| C17 | H30 | sing | 1.08Å | 1.08Å | |
| S07 | H18 | sing | 1.35Å | 1.30Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| C08 | H20 | sing | 1.09Å | 1.10Å | |
| C09 | H21 | sing | 1.08Å | 1.08Å | |
| C14 | H27 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | N01 | C03 | 109.7° | 108.1° |
| N01 | C02 | N04 | 107.2° | 108.0° |
| N01 | C02 | O06 | 127.0° | 126.0° |
| C02 | N01 | C08 | 125.9° | 126.0° |
| N01 | C03 | N05 | 105.9° | 107.9° |
| N01 | C03 | S07 | 126.6° | 126.1° |
| C03 | N01 | C08 | 124.0° | 126.0° |
| C02 | N04 | N05 | 107.7° | 108.0° |
| N04 | C02 | O06 | 125.8° | 126.0° |
| C03 | N05 | N04 | 109.5° | 108.0° |
| N05 | C03 | S07 | 127.4° | 126.0° |
| C02 | O06 | C11 | 117.8° | 117.0° |
| C03 | S07 | H18 | 102.0° | 103.0° |
| N01 | C08 | C09 | 108.5° | 109.4° |
| N01 | C08 | H19 | 109.7° | 109.5° |
| N01 | C08 | H20 | 109.7° | 109.4° |
| C08 | C09 | C10 | 124.1° | 120.0° |
| C09 | C08 | H19 | 109.7° | 109.5° |
| C09 | C08 | H20 | 109.7° | 109.5° |
| C08 | C09 | H21 | 117.9° | 120.0° |
| C09 | C10 | H23 | 120.0° | 120.0° |
| C09 | C10 | H22 | 120.0° | 120.0° |
| C10 | C09 | H21 | 117.9° | 120.0° |
| O06 | C11 | C12 | 116.6° | 109.5° |
| O06 | C11 | H25 | 107.7° | 109.5° |
| O06 | C11 | H24 | 107.7° | 109.5° |
| C11 | C12 | C13 | 115.9° | 120.0° |
| C11 | C12 | C14 | 120.8° | 120.0° |
| C12 | C11 | H25 | 107.7° | 109.4° |
| C12 | C11 | H24 | 107.7° | 109.5° |
| C13 | C12 | C14 | 123.1° | 120.0° |
| C12 | C13 | C16 | 119.0° | 120.0° |
| C12 | C13 | H26 | 120.5° | 120.0° |
| C12 | C14 | C15 | 117.2° | 120.0° |
| C12 | C14 | H27 | 121.4° | 120.0° |
| C14 | C15 | C17 | 120.8° | 120.0° |
| C14 | C15 | H28 | 119.6° | 120.0° |
| C15 | C14 | H27 | 121.4° | 120.0° |
| C13 | C16 | C17 | 119.4° | 120.0° |
| C16 | C13 | H26 | 120.5° | 119.9° |
| C13 | C16 | H29 | 120.3° | 120.0° |
| C15 | C17 | C16 | 120.1° | 120.0° |
| C17 | C15 | H28 | 119.6° | 120.0° |
| C15 | C17 | H30 | 120.0° | 120.0° |
| C17 | C16 | H29 | 120.3° | 120.0° |
| C16 | C17 | H30 | 119.9° | 120.0° |
| H23 | C10 | H22 | 120.0° | 119.9° |
| H25 | C11 | H24 | 109.5° | 109.5° |
| H19 | C08 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | N01 | C03 | C08 | 173.4° | 180.0° |
| N01 | C02 | N04 | O06 | 176.7° | 179.8° |
| C02 | N01 | C03 | N05 | 2.0° | 0.0° |
| N01 | C02 | N04 | N05 | 1.8° | 0.0° |
| C02 | N01 | C03 | S07 | 177.8° | 180.0° |
| C02 | N01 | C08 | C09 | 97.8° | 90.0° |
| N01 | C02 | O06 | C11 | 62.5° | 179.7° |
| C02 | N01 | C08 | H19 | 142.4° | 150.0° |
| C02 | N01 | C08 | H20 | 22.1° | 30.0° |
| C03 | N01 | C02 | N04 | 0.0° | 0.0° |
| N01 | C03 | N05 | S07 | 175.7° | 180.0° |
| N01 | C03 | N05 | N04 | 3.1° | 0.0° |
| C03 | N01 | C02 | O06 | 176.7° | 179.8° |
| C03 | N01 | C08 | C09 | 74.6° | 90.0° |
| N01 | C03 | S07 | H18 | 174.9° | 90.0° |
| C03 | N01 | C08 | H19 | 45.3° | 30.0° |
| C03 | N01 | C08 | H20 | 165.6° | 149.9° |
| C02 | N04 | N05 | C03 | 3.2° | 0.0° |
| N04 | C02 | N01 | C08 | 173.3° | 180.0° |
| N04 | C02 | O06 | C11 | 121.4° | 0.0° |
| N05 | C03 | N01 | C08 | 175.4° | 180.0° |
| N05 | C03 | S07 | H18 | 0.0° | 90.0° |
| N05 | N04 | C02 | O06 | 174.9° | 179.8° |
| N04 | N05 | C03 | S07 | 178.9° | 180.0° |
| O06 | C02 | N01 | C08 | 10.0° | 0.3° |
| C02 | O06 | C11 | C12 | 92.4° | 180.0° |
| C02 | O06 | C11 | H25 | 28.6° | 60.0° |
| C02 | O06 | C11 | H24 | 146.6° | 60.0° |
| S07 | C03 | N01 | C08 | 8.8° | 0.0° |
| N01 | C08 | C09 | H19 | 119.8° | 120.0° |
| N01 | C08 | C09 | H20 | 119.9° | 120.0° |
| N01 | C08 | C09 | C10 | 119.4° | 125.0° |
| N01 | C08 | H19 | H20 | 120.5° | 120.0° |
| N01 | C08 | C09 | H21 | 60.6° | 55.0° |
| C08 | C09 | C10 | H21 | 180.0° | 180.0° |
| C08 | C09 | C10 | H23 | 0.0° | 0.0° |
| C08 | C09 | C10 | H22 | 180.0° | 179.9° |
| C09 | C08 | H19 | H20 | 120.4° | 120.1° |
| C09 | C10 | H23 | H22 | 180.0° | 179.9° |
| C10 | C09 | C08 | H19 | 120.8° | 5.0° |
| C10 | C09 | C08 | H20 | 0.5° | 115.0° |
| O06 | C11 | C12 | H25 | 121.0° | 120.0° |
| O06 | C11 | C12 | H24 | 121.0° | 120.1° |
| O06 | C11 | C12 | C13 | 179.2° | 90.0° |
| O06 | C11 | C12 | C14 | 4.1° | 90.1° |
| O06 | C11 | H25 | H24 | 116.8° | 120.1° |
| C11 | C12 | C13 | C14 | 175.0° | 179.9° |
| C11 | C12 | C14 | C15 | 178.1° | 179.4° |
| C11 | C12 | C13 | C16 | 178.3° | 180.0° |
| C12 | C11 | H25 | H24 | 116.8° | 120.0° |
| C11 | C12 | C13 | H26 | 1.7° | 0.3° |
| C11 | C12 | C14 | H27 | 1.9° | 0.1° |
| C13 | C12 | C14 | C15 | 7.1° | 0.7° |
| C12 | C13 | C16 | H26 | 180.0° | 179.8° |
| C12 | C13 | C16 | C17 | 4.2° | 0.2° |
| C13 | C12 | C11 | H25 | 58.2° | 30.0° |
| C13 | C12 | C11 | H24 | 59.8° | 149.9° |
| C12 | C13 | C16 | H29 | 175.8° | 179.7° |
| C13 | C12 | C14 | H27 | 172.9° | 180.0° |
| C12 | C14 | C15 | H27 | 180.0° | 179.3° |
| C14 | C12 | C13 | C16 | 6.7° | 0.1° |
| C12 | C14 | C15 | C17 | 5.3° | 0.9° |
| C14 | C12 | C11 | H25 | 116.9° | 149.9° |
| C14 | C12 | C11 | H24 | 125.1° | 30.0° |
| C14 | C12 | C13 | H26 | 173.3° | 179.7° |
| C12 | C14 | C15 | H28 | 174.6° | 179.7° |
| C14 | C15 | C17 | H28 | 180.0° | 179.4° |
| C14 | C15 | C17 | C16 | 3.3° | 0.6° |
| C14 | C15 | C17 | H30 | 176.7° | 179.4° |
| C13 | C16 | C17 | C15 | 2.6° | 0.1° |
| C13 | C16 | C17 | H29 | 180.0° | 179.9° |
| C13 | C16 | C17 | H30 | 177.3° | 180.0° |
| C15 | C17 | C16 | H30 | 180.0° | 180.0° |
| C15 | C17 | C16 | H29 | 177.3° | 180.0° |
| C17 | C15 | C14 | H27 | 174.7° | 179.7° |
| C17 | C16 | C13 | H26 | 175.8° | 180.0° |
| C16 | C17 | C15 | H28 | 176.7° | 180.0° |
| H23 | C10 | C09 | H21 | 180.0° | 180.0° |
| H22 | C10 | C09 | H21 | 0.0° | 0.0° |
| H26 | C13 | C16 | H29 | 4.3° | 0.1° |
| H28 | C15 | C17 | H30 | 3.3° | 0.0° |
| H28 | C15 | C14 | H27 | 5.4° | 0.4° |
| H29 | C16 | C17 | H30 | 2.7° | 0.1° |
| H19 | C08 | C09 | H21 | 59.2° | 175.0° |
| H20 | C08 | C09 | H21 | 179.5° | 64.9° |
