A2W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.39Å | Aromatic |
| F01 | C02 | sing | 1.35Å | 1.40Å | |
| C04 | C05 | sing | 1.39Å | 1.44Å | Aromatic |
| C02 | C24 | doub | 1.39Å | 1.42Å | Aromatic |
| C05 | C06 | sing | 1.48Å | 1.42Å | |
| C05 | C23 | doub | 1.39Å | 1.42Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.42Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.46Å | |
| C17 | N18 | sing | 1.47Å | 1.48Å | |
| C22 | N18 | sing | 1.35Å | 1.40Å | Aromatic |
| C22 | N21 | doub | 1.30Å | 1.34Å | Aromatic |
| C06 | C16 | sing | 1.41Å | 1.43Å | Aromatic |
| C06 | N07 | doub | 1.32Å | 1.29Å | Aromatic |
| C16 | C15 | doub | 1.35Å | 1.39Å | Aromatic |
| N18 | C19 | sing | 1.37Å | 1.37Å | Aromatic |
| N07 | N08 | sing | 1.40Å | 1.28Å | Aromatic |
| C15 | N08 | sing | 1.36Å | 1.35Å | Aromatic |
| N21 | C20 | sing | 1.34Å | 1.41Å | Aromatic |
| N08 | C09 | sing | 1.40Å | 1.39Å | |
| C14 | C09 | doub | 1.39Å | 1.33Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.48Å | Aromatic |
| C19 | C20 | doub | 1.35Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.42Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C03 | H9 | sing | 1.08Å | 1.08Å | |
| C04 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C03 | C02 | 116.6° | 120.1° |
| C03 | C04 | C05 | 119.3° | 119.9° |
| C04 | C03 | H9 | 121.7° | 120.0° |
| C03 | C04 | H10 | 120.4° | 120.0° |
| C03 | C02 | F01 | 114.4° | 119.9° |
| C03 | C02 | C24 | 127.5° | 120.2° |
| C02 | C03 | H9 | 121.7° | 119.9° |
| F01 | C02 | C24 | 118.0° | 119.9° |
| C04 | C05 | C06 | 117.8° | 120.1° |
| C04 | C05 | C23 | 122.1° | 119.8° |
| C05 | C04 | H10 | 120.3° | 120.0° |
| C02 | C24 | C23 | 115.5° | 120.1° |
| C02 | C24 | H8 | 122.3° | 120.0° |
| C06 | C05 | C23 | 119.9° | 120.1° |
| C05 | C06 | C16 | 130.7° | 125.9° |
| C05 | C06 | N07 | 120.8° | 126.0° |
| C05 | C23 | C24 | 118.8° | 119.9° |
| C05 | C23 | H15 | 120.6° | 120.0° |
| C23 | C24 | H8 | 122.2° | 119.9° |
| C24 | C23 | H15 | 120.6° | 120.1° |
| C16 | C17 | N18 | 110.4° | 109.4° |
| C17 | C16 | C06 | 127.0° | 126.1° |
| C17 | C16 | C15 | 128.1° | 126.1° |
| C16 | C17 | H4 | 109.2° | 109.5° |
| C16 | C17 | H5 | 109.3° | 109.5° |
| C17 | N18 | C22 | 123.8° | 126.4° |
| C17 | N18 | C19 | 126.8° | 126.3° |
| N18 | C17 | H4 | 109.2° | 109.5° |
| N18 | C17 | H5 | 109.2° | 109.5° |
| N18 | C22 | N21 | 108.6° | 108.7° |
| C22 | N18 | C19 | 109.4° | 107.2° |
| N18 | C22 | H7 | 125.7° | 125.6° |
| C22 | N21 | C20 | 107.3° | 109.3° |
| N21 | C22 | H7 | 125.7° | 125.7° |
| C16 | C06 | N07 | 108.5° | 108.1° |
| C06 | C16 | C15 | 104.8° | 107.9° |
| C06 | N07 | N08 | 108.9° | 108.2° |
| C16 | C15 | N08 | 104.3° | 107.9° |
| C16 | C15 | H3 | 127.9° | 126.1° |
| N18 | C19 | C20 | 105.7° | 106.8° |
| N18 | C19 | H14 | 127.1° | 126.6° |
| N07 | N08 | C15 | 113.4° | 108.0° |
| N07 | N08 | C09 | 118.8° | 126.0° |
| C15 | N08 | C09 | 127.5° | 126.0° |
| N08 | C15 | H3 | 127.9° | 126.1° |
| N21 | C20 | C19 | 109.0° | 108.1° |
| N21 | C20 | H6 | 125.5° | 126.0° |
| N08 | C09 | C14 | 114.7° | 120.1° |
| N08 | C09 | C10 | 118.4° | 120.1° |
| C09 | C14 | C13 | 116.0° | 120.0° |
| C14 | C09 | C10 | 126.8° | 119.8° |
| C09 | C14 | H13 | 122.0° | 120.0° |
| C14 | C13 | C12 | 123.5° | 120.0° |
| C14 | C13 | H2 | 118.3° | 120.0° |
| C13 | C14 | H13 | 122.0° | 120.0° |
| C09 | C10 | C11 | 111.7° | 120.0° |
| C09 | C10 | H1 | 124.1° | 120.0° |
| C19 | C20 | H6 | 125.5° | 126.0° |
| C20 | C19 | H14 | 127.1° | 126.6° |
| C13 | C12 | C11 | 117.8° | 120.1° |
| C12 | C13 | H2 | 118.2° | 120.0° |
| C13 | C12 | H12 | 121.1° | 120.0° |
| C10 | C11 | C12 | 122.9° | 120.1° |
| C11 | C10 | H1 | 124.2° | 120.1° |
| C10 | C11 | H11 | 118.5° | 120.0° |
| C12 | C11 | H11 | 118.6° | 120.0° |
| C11 | C12 | H12 | 121.1° | 119.9° |
| H4 | C17 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C03 | C02 | H9 | 180.0° | 179.9° |
| C04 | C03 | C02 | F01 | 179.1° | 179.9° |
| C03 | C04 | C05 | H10 | 180.0° | 180.0° |
| C04 | C03 | C02 | C24 | 3.3° | 0.0° |
| C03 | C04 | C05 | C06 | 178.6° | 180.0° |
| C03 | C04 | C05 | C23 | 3.0° | 0.0° |
| C03 | C02 | F01 | C24 | 176.3° | 180.0° |
| C02 | C03 | C04 | C05 | 0.7° | 0.0° |
| C03 | C02 | C24 | C23 | 2.0° | 0.0° |
| C03 | C02 | C24 | H8 | 178.0° | 179.7° |
| C02 | C03 | C04 | H10 | 179.4° | 180.0° |
| F01 | C02 | C24 | C23 | 177.7° | 180.0° |
| F01 | C02 | C24 | H8 | 2.3° | 0.3° |
| F01 | C02 | C03 | H9 | 0.8° | 0.0° |
| C04 | C05 | C06 | C23 | 175.7° | 179.9° |
| C04 | C05 | C23 | C24 | 4.3° | 0.0° |
| C04 | C05 | C06 | C16 | 46.4° | 136.7° |
| C04 | C05 | C06 | N07 | 131.6° | 43.6° |
| C05 | C04 | C03 | H9 | 179.3° | 180.0° |
| C04 | C05 | C23 | H15 | 175.7° | 179.8° |
| C02 | C24 | C23 | C05 | 1.8° | 0.0° |
| C02 | C24 | C23 | H8 | 180.0° | 179.7° |
| C24 | C02 | C03 | H9 | 176.7° | 179.9° |
| C02 | C24 | C23 | H15 | 178.2° | 179.8° |
| C06 | C05 | C23 | C24 | 179.8° | 179.9° |
| C05 | C06 | C16 | C17 | 1.5° | 0.1° |
| C05 | C06 | C16 | N07 | 178.2° | 179.7° |
| C05 | C06 | C16 | C15 | 178.8° | 180.0° |
| C05 | C06 | N07 | N08 | 177.4° | 179.9° |
| C06 | C05 | C04 | H10 | 1.4° | 0.0° |
| C06 | C05 | C23 | H15 | 0.2° | 0.3° |
| C05 | C23 | C24 | H15 | 180.0° | 179.8° |
| C23 | C05 | C06 | C16 | 137.9° | 43.4° |
| C23 | C05 | C06 | N07 | 44.1° | 136.3° |
| C05 | C23 | C24 | H8 | 178.2° | 179.7° |
| C23 | C05 | C04 | H10 | 176.9° | 180.0° |
| C16 | C17 | N18 | H4 | 120.1° | 120.0° |
| C16 | C17 | N18 | H5 | 120.2° | 120.0° |
| C16 | C17 | N18 | C22 | 114.1° | 95.5° |
| C17 | C16 | C06 | C15 | 177.3° | 179.9° |
| C17 | C16 | C06 | N07 | 176.6° | 179.8° |
| C16 | C17 | N18 | C19 | 64.9° | 84.6° |
| C17 | C16 | C15 | N08 | 175.3° | 180.0° |
| C17 | C16 | C15 | H3 | 4.6° | 0.2° |
| C16 | C17 | H4 | H5 | 119.6° | 120.0° |
| C17 | N18 | C22 | C19 | 179.1° | 179.9° |
| C17 | N18 | C22 | N21 | 179.4° | 179.7° |
| N18 | C17 | C16 | C06 | 60.2° | 84.1° |
| N18 | C17 | C16 | C15 | 123.1° | 95.8° |
| C17 | N18 | C19 | C20 | 179.4° | 179.9° |
| N18 | C17 | H4 | H5 | 119.6° | 120.0° |
| C17 | N18 | C22 | H7 | 0.6° | 0.1° |
| C17 | N18 | C19 | H14 | 0.6° | 0.1° |
| N18 | C22 | N21 | H7 | 180.0° | 179.8° |
| N18 | C22 | N21 | C20 | 0.1° | 0.4° |
| C22 | N18 | C19 | C20 | 0.3° | 0.0° |
| C22 | N18 | C17 | H4 | 125.8° | 24.5° |
| C22 | N18 | C17 | H5 | 6.1° | 144.5° |
| C22 | N18 | C19 | H14 | 179.7° | 180.0° |
| N21 | C22 | N18 | C19 | 0.3° | 0.2° |
| C22 | N21 | C20 | C19 | 0.1° | 0.4° |
| C22 | N21 | C20 | H6 | 179.9° | 179.8° |
| C16 | C06 | N07 | N08 | 1.0° | 0.4° |
| C06 | C16 | C15 | N08 | 1.9° | 0.1° |
| C06 | C16 | C15 | H3 | 178.1° | 179.7° |
| C06 | C16 | C17 | H4 | 179.6° | 35.9° |
| C06 | C16 | C17 | H5 | 59.9° | 155.9° |
| N07 | C06 | C16 | C15 | 0.6° | 0.3° |
| C06 | N07 | N08 | C15 | 2.4° | 0.4° |
| C06 | N07 | N08 | C09 | 177.0° | 179.6° |
| C16 | C15 | N08 | N07 | 2.7° | 0.2° |
| C16 | C15 | N08 | H3 | 180.0° | 179.8° |
| C16 | C15 | N08 | C09 | 176.8° | 179.8° |
| C15 | C16 | C17 | H4 | 3.0° | 144.2° |
| C15 | C16 | C17 | H5 | 116.7° | 24.2° |
| N18 | C19 | C20 | N21 | 0.2° | 0.3° |
| N18 | C19 | C20 | H14 | 180.0° | 180.0° |
| C19 | N18 | C17 | H4 | 55.2° | 155.4° |
| C19 | N18 | C17 | H5 | 174.9° | 35.4° |
| N18 | C19 | C20 | H6 | 179.8° | 180.0° |
| C19 | N18 | C22 | H7 | 179.7° | 180.0° |
| N07 | N08 | C15 | C09 | 174.1° | 180.0° |
| N07 | N08 | C09 | C14 | 157.6° | 180.0° |
| N07 | N08 | C09 | C10 | 25.6° | 0.0° |
| N07 | N08 | C15 | H3 | 177.3° | 180.0° |
| C15 | N08 | C09 | C14 | 28.6° | 0.0° |
| C15 | N08 | C09 | C10 | 148.2° | 180.0° |
| N21 | C20 | C19 | H6 | 180.0° | 179.8° |
| C20 | N21 | C22 | H7 | 179.9° | 179.8° |
| N21 | C20 | C19 | H14 | 179.8° | 179.8° |
| N08 | C09 | C14 | C10 | 176.4° | 180.0° |
| N08 | C09 | C14 | C13 | 179.9° | 179.5° |
| N08 | C09 | C10 | C11 | 178.9° | 180.0° |
| N08 | C09 | C10 | H1 | 1.1° | 0.3° |
| C09 | N08 | C15 | H3 | 3.2° | 0.0° |
| N08 | C09 | C14 | H13 | 0.0° | 0.0° |
| C09 | C14 | C13 | H13 | 180.0° | 179.5° |
| C09 | C14 | C13 | C12 | 9.3° | 0.7° |
| C14 | C09 | C10 | C11 | 2.7° | 0.0° |
| C14 | C09 | C10 | H1 | 177.3° | 179.7° |
| C09 | C14 | C13 | H2 | 170.7° | 179.8° |
| C13 | C14 | C09 | C10 | 3.7° | 0.5° |
| C14 | C13 | C12 | H2 | 180.0° | 179.5° |
| C14 | C13 | C12 | C11 | 13.5° | 0.5° |
| C14 | C13 | C12 | H12 | 166.5° | 180.0° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C09 | C10 | C11 | C12 | 6.9° | 0.3° |
| C09 | C10 | C11 | H11 | 173.1° | 179.7° |
| C10 | C09 | C14 | H13 | 176.3° | 180.0° |
| C13 | C12 | C11 | C10 | 12.3° | 0.0° |
| C13 | C12 | C11 | H12 | 180.0° | 179.5° |
| C13 | C12 | C11 | H11 | 167.6° | 180.0° |
| C12 | C13 | C14 | H13 | 170.8° | 179.7° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | H12 | 167.7° | 179.5° |
| C12 | C11 | C10 | H1 | 173.1° | 180.0° |
| C11 | C12 | C13 | H2 | 166.5° | 180.0° |
| H1 | C10 | C11 | H11 | 6.9° | 0.0° |
| H2 | C13 | C12 | H12 | 13.5° | 0.5° |
| H2 | C13 | C14 | H13 | 9.2° | 0.2° |
| H6 | C20 | C19 | H14 | 0.2° | 0.0° |
| H8 | C24 | C23 | H15 | 1.8° | 0.1° |
| H9 | C03 | C04 | H10 | 0.7° | 0.0° |
| H11 | C11 | C12 | H12 | 12.3° | 0.5° |






