W8P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O33 | C32 | doub | 1.21Å | 1.17Å | |
| C23 | C22 | doub | 1.35Å | 1.37Å | Aromatic |
| C23 | N24 | sing | 1.34Å | 1.32Å | Aromatic |
| C22 | N21 | sing | 1.37Å | 1.33Å | Aromatic |
| C32 | N30 | sing | 1.35Å | 1.44Å | |
| N24 | C25 | doub | 1.31Å | 1.36Å | Aromatic |
| N21 | C25 | sing | 1.35Å | 1.35Å | Aromatic |
| N21 | C20 | sing | 1.46Å | 1.47Å | |
| C01 | S02 | sing | 1.81Å | 1.82Å | |
| C25 | C26 | sing | 1.51Å | 1.54Å | |
| N30 | O31 | sing | 1.42Å | 1.41Å | |
| N30 | C03 | sing | 1.46Å | 1.44Å | |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.54Å | |
| C29 | C16 | sing | 1.40Å | 1.38Å | Aromatic |
| C03 | S02 | sing | 1.81Å | 1.83Å | |
| C03 | C04 | sing | 1.53Å | 1.51Å | |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | O27 | sing | 1.43Å | 1.40Å | |
| C16 | C15 | sing | 1.43Å | 1.52Å | |
| C16 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| N07 | C08 | sing | 1.35Å | 1.39Å | Aromatic |
| N07 | N06 | doub | 1.29Å | 1.33Å | Aromatic |
| C15 | C14 | trip | 1.17Å | 1.17Å | |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C09 | C08 | doub | 1.40Å | 1.42Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C10 | sing | 1.43Å | 1.52Å | |
| C08 | C13 | sing | 1.41Å | 1.40Å | Aromatic |
| N06 | N05 | sing | 1.40Å | 1.36Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.42Å | Aromatic |
| C13 | N05 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| N05 | C04 | sing | 1.47Å | 1.43Å | |
| C11 | C12 | sing | 1.36Å | 1.39Å | Aromatic |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.08Å | 1.08Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| O27 | H19 | sing | 0.97Å | 0.95Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å | |
| O31 | H21 | sing | 0.97Å | 0.95Å | |
| C32 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O33 | C32 | N30 | 122.2° | 120.0° |
| O33 | C32 | H22 | 118.9° | 119.9° |
| C22 | C23 | N24 | 107.2° | 108.0° |
| C23 | C22 | N21 | 108.9° | 106.9° |
| C23 | C22 | H4 | 125.5° | 126.6° |
| C22 | C23 | H18 | 126.4° | 126.0° |
| C23 | N24 | C25 | 108.6° | 109.2° |
| N24 | C23 | H18 | 126.4° | 126.0° |
| C22 | N21 | C25 | 107.5° | 107.2° |
| C22 | N21 | C20 | 126.3° | 126.4° |
| N21 | C22 | H4 | 125.5° | 126.6° |
| C32 | N30 | O31 | 122.4° | 120.0° |
| C32 | N30 | C03 | 119.2° | 120.0° |
| N30 | C32 | H22 | 118.9° | 120.0° |
| N24 | C25 | N21 | 107.8° | 108.7° |
| N24 | C25 | C26 | 125.3° | 125.6° |
| C25 | N21 | C20 | 126.2° | 126.4° |
| N21 | C25 | C26 | 126.9° | 125.7° |
| N21 | C20 | C19 | 111.4° | 109.4° |
| N21 | C20 | H2 | 109.0° | 109.5° |
| N21 | C20 | H3 | 109.0° | 109.5° |
| C01 | S02 | C03 | 101.0° | 103.0° |
| S02 | C01 | H8 | 109.5° | 109.5° |
| S02 | C01 | H9 | 109.5° | 109.5° |
| S02 | C01 | H10 | 109.5° | 109.5° |
| C25 | C26 | O27 | 111.0° | 109.5° |
| C25 | C26 | H5 | 109.1° | 109.5° |
| C25 | C26 | H6 | 109.1° | 109.4° |
| O31 | N30 | C03 | 118.4° | 120.0° |
| N30 | O31 | H21 | 109.5° | 114.0° |
| N30 | C03 | S02 | 109.3° | 109.5° |
| N30 | C03 | C04 | 107.6° | 109.4° |
| N30 | C03 | H11 | 111.9° | 109.5° |
| C29 | C28 | C19 | 121.8° | 120.1° |
| C28 | C29 | C16 | 119.9° | 119.8° |
| C29 | C28 | H7 | 119.1° | 120.0° |
| C28 | C29 | H20 | 120.0° | 120.0° |
| C28 | C19 | C20 | 119.6° | 119.9° |
| C28 | C19 | C18 | 118.4° | 120.3° |
| C19 | C28 | H7 | 119.1° | 119.9° |
| C20 | C19 | C18 | 122.0° | 119.9° |
| C19 | C20 | H2 | 109.0° | 109.5° |
| C19 | C20 | H3 | 109.0° | 109.5° |
| C29 | C16 | C15 | 119.1° | 120.1° |
| C29 | C16 | C17 | 118.8° | 119.7° |
| C16 | C29 | H20 | 120.1° | 120.1° |
| S02 | C03 | C04 | 109.9° | 109.5° |
| S02 | C03 | H11 | 107.2° | 109.5° |
| C03 | C04 | N05 | 108.7° | 109.5° |
| C04 | C03 | H11 | 110.9° | 109.5° |
| C03 | C04 | H12 | 109.7° | 109.5° |
| C03 | C04 | H13 | 109.6° | 109.5° |
| C19 | C18 | C17 | 119.7° | 120.2° |
| C19 | C18 | H17 | 120.2° | 119.9° |
| O27 | C26 | H5 | 109.1° | 109.5° |
| O27 | C26 | H6 | 109.1° | 109.5° |
| C26 | O27 | H19 | 109.5° | 114.0° |
| C15 | C16 | C17 | 122.1° | 120.2° |
| C16 | C15 | C14 | 173.6° | 180.0° |
| C16 | C17 | C18 | 121.3° | 119.8° |
| C16 | C17 | H1 | 119.3° | 120.0° |
| C08 | N07 | N06 | 109.2° | 110.2° |
| N07 | C08 | C09 | 131.8° | 133.0° |
| N07 | C08 | C13 | 107.7° | 107.6° |
| N07 | N06 | N05 | 108.0° | 109.5° |
| C15 | C14 | C10 | 173.7° | 179.9° |
| C18 | C17 | H1 | 119.4° | 120.1° |
| C17 | C18 | H17 | 120.1° | 119.9° |
| C08 | C09 | C10 | 119.7° | 119.5° |
| C09 | C08 | C13 | 120.5° | 119.4° |
| C08 | C09 | H14 | 120.2° | 120.2° |
| C09 | C10 | C14 | 116.1° | 119.9° |
| C09 | C10 | C11 | 120.0° | 120.3° |
| C10 | C09 | H14 | 120.2° | 120.2° |
| C14 | C10 | C11 | 123.9° | 119.9° |
| C08 | C13 | N05 | 104.9° | 106.1° |
| C08 | C13 | C12 | 119.6° | 120.2° |
| N06 | N05 | C13 | 110.2° | 106.6° |
| N06 | N05 | C04 | 122.2° | 126.7° |
| C10 | C11 | C12 | 120.4° | 120.4° |
| C10 | C11 | H15 | 119.8° | 119.8° |
| N05 | C13 | C12 | 135.5° | 133.7° |
| C13 | N05 | C04 | 127.6° | 126.7° |
| C13 | C12 | C11 | 119.8° | 120.2° |
| C13 | C12 | H16 | 120.1° | 119.9° |
| N05 | C04 | H12 | 109.6° | 109.5° |
| N05 | C04 | H13 | 109.7° | 109.4° |
| C12 | C11 | H15 | 119.8° | 119.8° |
| C11 | C12 | H16 | 120.1° | 119.9° |
| H2 | C20 | H3 | 109.5° | 109.5° |
| H5 | C26 | H6 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.4° | 109.5° |
| H8 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H10 | 109.5° | 109.4° |
| H12 | C04 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O33 | C32 | N30 | H22 | 180.0° | 180.0° |
| O33 | C32 | N30 | O31 | 1.4° | 0.0° |
| O33 | C32 | N30 | C03 | 178.4° | 180.0° |
| C22 | C23 | N24 | H18 | 180.0° | 180.0° |
| C23 | C22 | N21 | H4 | 180.0° | 179.7° |
| C22 | C23 | N24 | C25 | 0.5° | 0.2° |
| C23 | C22 | N21 | C25 | 0.1° | 0.2° |
| C23 | C22 | N21 | C20 | 179.8° | 179.8° |
| N24 | C23 | C22 | N21 | 0.4° | 0.0° |
| C23 | N24 | C25 | N21 | 0.5° | 0.4° |
| C23 | N24 | C25 | C26 | 179.4° | 180.0° |
| N24 | C23 | C22 | H4 | 179.6° | 179.8° |
| C22 | N21 | C25 | N24 | 0.2° | 0.4° |
| C22 | N21 | C25 | C20 | 179.9° | 180.0° |
| C22 | N21 | C25 | C26 | 179.1° | 180.0° |
| C22 | N21 | C20 | C19 | 37.9° | 94.6° |
| C22 | N21 | C20 | H2 | 82.4° | 25.4° |
| C22 | N21 | C20 | H3 | 158.1° | 145.5° |
| N21 | C22 | C23 | H18 | 179.6° | 180.0° |
| C32 | N30 | O31 | C03 | 179.8° | 180.0° |
| C32 | N30 | C03 | S02 | 112.7° | 95.0° |
| C32 | N30 | C03 | C04 | 128.0° | 145.0° |
| C32 | N30 | C03 | H11 | 5.9° | 25.0° |
| C32 | N30 | O31 | H21 | 0.6° | 0.0° |
| N24 | C25 | N21 | C26 | 178.9° | 179.6° |
| N24 | C25 | N21 | C20 | 179.9° | 179.6° |
| N24 | C25 | C26 | O27 | 92.2° | 84.2° |
| N24 | C25 | C26 | H5 | 147.6° | 35.8° |
| N24 | C25 | C26 | H6 | 28.1° | 155.7° |
| C25 | N24 | C23 | H18 | 179.4° | 179.8° |
| C25 | N21 | C20 | C19 | 141.9° | 85.5° |
| N21 | C25 | C26 | O27 | 89.1° | 95.3° |
| C25 | N21 | C20 | H2 | 97.7° | 154.5° |
| C25 | N21 | C20 | H3 | 21.7° | 34.5° |
| C25 | N21 | C22 | H4 | 179.9° | 180.0° |
| N21 | C25 | C26 | H5 | 31.1° | 144.7° |
| N21 | C25 | C26 | H6 | 150.6° | 24.8° |
| C20 | N21 | C25 | C26 | 1.0° | 0.1° |
| N21 | C20 | C19 | C28 | 40.5° | 95.9° |
| N21 | C20 | C19 | H2 | 120.3° | 120.0° |
| N21 | C20 | C19 | H3 | 120.3° | 120.0° |
| N21 | C20 | C19 | C18 | 139.0° | 84.2° |
| N21 | C20 | H2 | H3 | 119.1° | 120.0° |
| C20 | N21 | C22 | H4 | 0.2° | 0.1° |
| C01 | S02 | C03 | N30 | 70.4° | 40.0° |
| C01 | S02 | C03 | C04 | 171.7° | 80.0° |
| S02 | C01 | H8 | H9 | 120.0° | 120.0° |
| S02 | C01 | H8 | H10 | 120.0° | 120.1° |
| S02 | C01 | H9 | H10 | 120.0° | 120.0° |
| C01 | S02 | C03 | H11 | 51.1° | 160.0° |
| C25 | C26 | O27 | H5 | 120.2° | 120.0° |
| C25 | C26 | O27 | H6 | 120.2° | 120.0° |
| C25 | C26 | H5 | H6 | 119.3° | 119.9° |
| C25 | C26 | O27 | H19 | 180.0° | 180.0° |
| O31 | N30 | C03 | S02 | 67.5° | 85.0° |
| O31 | N30 | C03 | C04 | 51.8° | 35.0° |
| O31 | N30 | C03 | H11 | 173.9° | 155.0° |
| O31 | N30 | C32 | H22 | 178.6° | 180.0° |
| N30 | C03 | S02 | C04 | 117.9° | 120.0° |
| N30 | C03 | S02 | H11 | 121.5° | 120.0° |
| N30 | C03 | C04 | H11 | 122.7° | 120.0° |
| N30 | C03 | C04 | N05 | 68.6° | 175.0° |
| N30 | C03 | C04 | H12 | 51.3° | 55.0° |
| N30 | C03 | C04 | H13 | 171.5° | 65.0° |
| C03 | N30 | O31 | H21 | 179.1° | 180.0° |
| C03 | N30 | C32 | H22 | 1.6° | 0.0° |
| C29 | C28 | C19 | H7 | 180.0° | 179.7° |
| C29 | C28 | C19 | C20 | 179.6° | 179.8° |
| C28 | C29 | C16 | H20 | 180.0° | 179.8° |
| C29 | C28 | C19 | C18 | 0.0° | 0.3° |
| C28 | C29 | C16 | C15 | 178.9° | 180.0° |
| C28 | C29 | C16 | C17 | 0.2° | 0.0° |
| C28 | C19 | C20 | C18 | 179.5° | 179.9° |
| C19 | C28 | C29 | C16 | 0.1° | 0.3° |
| C28 | C19 | C18 | C17 | 0.0° | 0.1° |
| C28 | C19 | C20 | H2 | 160.8° | 144.1° |
| C28 | C19 | C20 | H3 | 79.7° | 24.1° |
| C28 | C19 | C18 | H17 | 180.0° | 180.0° |
| C19 | C28 | C29 | H20 | 179.9° | 179.9° |
| C20 | C19 | C18 | C17 | 179.5° | 179.9° |
| C19 | C20 | H2 | H3 | 119.1° | 120.0° |
| C20 | C19 | C28 | H7 | 0.5° | 0.1° |
| C20 | C19 | C18 | H17 | 0.5° | 0.1° |
| C29 | C16 | C15 | C17 | 179.1° | 180.0° |
| C29 | C16 | C15 | C14 | 150.8° | 109.0° |
| C29 | C16 | C17 | C18 | 0.2° | 0.3° |
| C29 | C16 | C17 | H1 | 179.7° | 180.0° |
| C16 | C29 | C28 | H7 | 179.9° | 180.0° |
| S02 | C03 | C04 | H11 | 118.3° | 120.0° |
| S02 | C03 | C04 | N05 | 172.5° | 65.0° |
| C03 | S02 | C01 | H8 | 180.0° | 180.0° |
| C03 | S02 | C01 | H9 | 60.0° | 60.0° |
| C03 | S02 | C01 | H10 | 60.0° | 60.0° |
| S02 | C03 | C04 | H12 | 67.6° | 175.0° |
| S02 | C03 | C04 | H13 | 52.6° | 55.0° |
| C03 | C04 | N05 | N06 | 70.2° | 90.0° |
| C03 | C04 | N05 | C13 | 111.8° | 90.0° |
| C03 | C04 | N05 | H12 | 119.9° | 120.0° |
| C03 | C04 | N05 | H13 | 119.9° | 120.0° |
| C03 | C04 | H12 | H13 | 120.3° | 120.0° |
| C19 | C18 | C17 | C16 | 0.1° | 0.2° |
| C19 | C18 | C17 | H17 | 180.0° | 180.0° |
| C19 | C18 | C17 | H1 | 179.8° | 179.9° |
| C18 | C19 | C20 | H2 | 18.7° | 35.8° |
| C18 | C19 | C20 | H3 | 100.8° | 155.8° |
| C18 | C19 | C28 | H7 | 180.0° | 180.0° |
| O27 | C26 | H5 | H6 | 119.3° | 120.0° |
| C15 | C16 | C17 | C18 | 178.9° | 179.7° |
| C16 | C15 | C14 | C10 | 18.4° | 175.8° |
| C15 | C16 | C17 | H1 | 1.1° | 0.1° |
| C15 | C16 | C29 | H20 | 1.0° | 0.2° |
| C17 | C16 | C15 | C14 | 30.1° | 70.9° |
| C16 | C17 | C18 | H1 | 180.0° | 179.7° |
| C16 | C17 | C18 | H17 | 179.9° | 179.7° |
| C17 | C16 | C29 | H20 | 179.8° | 179.8° |
| N07 | C08 | C09 | C13 | 177.6° | 179.8° |
| N07 | C08 | C09 | C10 | 178.2° | 179.9° |
| C08 | N07 | N06 | N05 | 1.7° | 0.1° |
| N07 | C08 | C13 | N05 | 1.4° | 0.1° |
| N07 | C08 | C13 | C12 | 178.4° | 179.9° |
| N07 | C08 | C09 | H14 | 1.8° | 0.2° |
| N06 | N07 | C08 | C09 | 179.8° | 179.9° |
| N06 | N07 | C08 | C13 | 2.0° | 0.1° |
| N07 | N06 | N05 | C13 | 0.8° | 0.0° |
| N07 | N06 | N05 | C04 | 179.1° | 180.0° |
| C15 | C14 | C10 | C09 | 33.7° | 104.6° |
| C15 | C14 | C10 | C11 | 146.7° | 75.1° |
| C08 | C09 | C10 | H14 | 180.0° | 179.9° |
| C08 | C09 | C10 | C14 | 179.4° | 179.7° |
| C08 | C09 | C10 | C11 | 0.2° | 0.1° |
| C09 | C08 | C13 | N05 | 179.5° | 179.9° |
| C09 | C08 | C13 | C12 | 0.3° | 0.1° |
| C09 | C10 | C14 | C11 | 179.6° | 179.8° |
| C10 | C09 | C08 | C13 | 0.6° | 0.1° |
| C09 | C10 | C11 | C12 | 1.4° | 0.1° |
| C09 | C10 | C11 | H15 | 178.7° | 180.0° |
| C14 | C10 | C11 | C12 | 178.2° | 179.7° |
| C14 | C10 | C09 | H14 | 0.6° | 0.2° |
| C14 | C10 | C11 | H15 | 1.7° | 0.2° |
| C08 | C13 | N05 | N06 | 0.4° | 0.0° |
| C08 | C13 | N05 | C12 | 179.9° | 180.0° |
| C08 | C13 | N05 | C04 | 177.7° | 180.0° |
| C08 | C13 | C12 | C11 | 0.8° | 0.1° |
| C13 | C08 | C09 | H14 | 179.4° | 180.0° |
| C08 | C13 | C12 | H16 | 179.2° | 180.0° |
| N06 | N05 | C13 | C04 | 178.2° | 180.0° |
| N06 | N05 | C13 | C12 | 179.4° | 180.0° |
| N06 | N05 | C04 | H12 | 169.9° | 150.0° |
| N06 | N05 | C04 | H13 | 49.7° | 30.1° |
| C10 | C11 | C12 | C13 | 1.6° | 0.1° |
| C10 | C11 | C12 | H15 | 180.0° | 179.9° |
| C11 | C10 | C09 | H14 | 179.8° | 180.0° |
| C10 | C11 | C12 | H16 | 178.3° | 180.0° |
| N05 | C13 | C12 | C11 | 179.4° | 179.9° |
| C13 | N05 | C04 | H12 | 8.0° | 30.0° |
| C13 | N05 | C04 | H13 | 128.3° | 150.0° |
| N05 | C13 | C12 | H16 | 0.6° | 0.0° |
| C12 | C13 | N05 | C04 | 2.4° | 0.0° |
| C13 | C12 | C11 | H16 | 180.0° | 179.9° |
| C13 | C12 | C11 | H15 | 178.4° | 180.0° |
| N05 | C04 | C03 | H11 | 54.2° | 55.0° |
| N05 | C04 | H12 | H13 | 120.4° | 120.0° |
| H1 | C17 | C18 | H17 | 0.2° | 0.0° |
| H4 | C22 | C23 | H18 | 0.4° | 0.2° |
| H5 | C26 | O27 | H19 | 59.8° | 60.0° |
| H6 | C26 | O27 | H19 | 59.7° | 60.0° |
| H7 | C28 | C29 | H20 | 0.1° | 0.2° |
| H8 | C01 | H9 | H10 | 120.0° | 120.0° |
| H11 | C03 | C04 | H12 | 174.0° | 65.0° |
| H11 | C03 | C04 | H13 | 65.7° | 175.0° |
| H15 | C11 | C12 | H16 | 1.6° | 0.1° |
