1W2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N16 | C14 | sing | 1.37Å | 1.37Å | |
| C19 | C18 | doub | 1.38Å | 1.43Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| N13 | C14 | doub | 1.30Å | 1.34Å | |
| N13 | C11 | sing | 1.49Å | 1.46Å | |
| C14 | O15 | sing | 1.35Å | 1.36Å | |
| F24 | C20 | sing | 1.35Å | 1.35Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C11 | sing | 1.51Å | 1.53Å | |
| C17 | C22 | doub | 1.38Å | 1.37Å | Aromatic |
| N26 | C25 | trip | 1.14Å | 1.15Å | |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.54Å | |
| C11 | C10 | sing | 1.53Å | 1.57Å | |
| C25 | C3 | sing | 1.43Å | 1.43Å | |
| O15 | C10 | sing | 1.44Å | 1.42Å | |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.41Å | 1.42Å | Aromatic |
| C12 | N7 | sing | 1.45Å | 1.50Å | |
| C6 | N5 | doub | 1.32Å | 1.32Å | Aromatic |
| C4 | N5 | sing | 1.32Å | 1.35Å | Aromatic |
| C4 | N7 | sing | 1.38Å | 1.40Å | |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| C22 | F23 | sing | 1.35Å | 1.35Å | |
| N7 | C8 | sing | 1.47Å | 1.48Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| N16 | H12 | sing | 0.97Å | 1.00Å | |
| N16 | H13 | sing | 0.97Å | 1.00Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N16 | C14 | N13 | 123.8° | 123.3° |
| N16 | C14 | O15 | 120.8° | 123.2° |
| C14 | N16 | H12 | 120.0° | 120.0° |
| C14 | N16 | H13 | 120.0° | 120.0° |
| C18 | C19 | C20 | 118.2° | 120.1° |
| C19 | C18 | C17 | 119.3° | 120.0° |
| C19 | C18 | H14 | 120.4° | 120.0° |
| C18 | C19 | H15 | 120.9° | 120.0° |
| C19 | C20 | F24 | 120.9° | 120.1° |
| C19 | C20 | C21 | 121.7° | 119.9° |
| C20 | C19 | H15 | 120.9° | 119.9° |
| C18 | C17 | C11 | 121.6° | 119.9° |
| C18 | C17 | C22 | 120.7° | 120.0° |
| C17 | C18 | H14 | 120.3° | 120.0° |
| C14 | N13 | C11 | 107.3° | 107.9° |
| N13 | C14 | O15 | 115.3° | 113.5° |
| N13 | C11 | C17 | 108.2° | 111.3° |
| N13 | C11 | C12 | 111.6° | 107.5° |
| N13 | C11 | C10 | 104.3° | 100.7° |
| C14 | O15 | C10 | 108.7° | 106.1° |
| F24 | C20 | C21 | 117.4° | 120.0° |
| C20 | C21 | C22 | 119.2° | 120.0° |
| C20 | C21 | H5 | 120.4° | 120.0° |
| C11 | C17 | C22 | 117.7° | 120.1° |
| C17 | C11 | C12 | 109.5° | 111.0° |
| C17 | C11 | C10 | 109.5° | 111.7° |
| C17 | C22 | C21 | 120.8° | 120.0° |
| C17 | C22 | F23 | 120.2° | 120.0° |
| N26 | C25 | C3 | 177.8° | 179.9° |
| C1 | C2 | C3 | 119.1° | 118.3° |
| C2 | C1 | C6 | 120.2° | 119.5° |
| C2 | C1 | H6 | 119.9° | 120.2° |
| C1 | C2 | H7 | 120.5° | 120.8° |
| C2 | C3 | C25 | 119.6° | 120.6° |
| C2 | C3 | C4 | 117.8° | 118.8° |
| C3 | C2 | H7 | 120.5° | 120.8° |
| C12 | C11 | C10 | 113.4° | 114.2° |
| C11 | C12 | N7 | 110.2° | 115.6° |
| C11 | C12 | H10 | 109.3° | 108.3° |
| C11 | C12 | H11 | 109.3° | 108.3° |
| C11 | C10 | O15 | 104.3° | 101.8° |
| C11 | C10 | C9 | 111.9° | 114.1° |
| C11 | C10 | H4 | 108.2° | 108.7° |
| C25 | C3 | C4 | 122.5° | 120.7° |
| O15 | C10 | C9 | 113.3° | 112.8° |
| O15 | C10 | H4 | 110.2° | 109.5° |
| C1 | C6 | N5 | 120.5° | 121.2° |
| C1 | C6 | H1 | 119.8° | 119.4° |
| C6 | C1 | H6 | 119.9° | 120.3° |
| C3 | C4 | N5 | 120.6° | 120.4° |
| C3 | C4 | N7 | 123.9° | 119.8° |
| C12 | N7 | C4 | 125.6° | 111.0° |
| C12 | N7 | C8 | 118.1° | 112.7° |
| N7 | C12 | H10 | 109.3° | 108.9° |
| N7 | C12 | H11 | 109.3° | 107.7° |
| C6 | N5 | C4 | 121.8° | 121.7° |
| N5 | C6 | H1 | 119.8° | 119.3° |
| N5 | C4 | N7 | 115.5° | 119.8° |
| C4 | N7 | C8 | 116.2° | 111.0° |
| C21 | C22 | F23 | 119.0° | 120.1° |
| C22 | C21 | H5 | 120.4° | 120.0° |
| C10 | C9 | C8 | 107.7° | 110.4° |
| C9 | C10 | H4 | 108.9° | 109.6° |
| C10 | C9 | H8 | 109.9° | 109.3° |
| C10 | C9 | H9 | 109.9° | 109.3° |
| N7 | C8 | C9 | 110.4° | 107.9° |
| N7 | C8 | H2 | 109.2° | 109.9° |
| N7 | C8 | H3 | 109.2° | 109.8° |
| C9 | C8 | H2 | 109.2° | 109.8° |
| C9 | C8 | H3 | 109.2° | 109.7° |
| C8 | C9 | H8 | 109.9° | 109.3° |
| C8 | C9 | H9 | 109.9° | 109.4° |
| H2 | C8 | H3 | 109.5° | 109.8° |
| H8 | C9 | H9 | 109.5° | 109.1° |
| H10 | C12 | H11 | 109.5° | 107.9° |
| H12 | N16 | H13 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N16 | C14 | N13 | O15 | 177.7° | 178.9° |
| N16 | C14 | N13 | C11 | 179.8° | 179.7° |
| N16 | C14 | O15 | C10 | 179.3° | 160.1° |
| C14 | N16 | H12 | H13 | 180.0° | 180.0° |
| C18 | C19 | C20 | H15 | 180.0° | 179.9° |
| C19 | C18 | C17 | H14 | 180.0° | 180.0° |
| C18 | C19 | C20 | F24 | 178.2° | 180.0° |
| C18 | C19 | C20 | C21 | 0.7° | 0.2° |
| C19 | C18 | C17 | C11 | 178.0° | 180.0° |
| C19 | C18 | C17 | C22 | 1.8° | 0.3° |
| C20 | C19 | C18 | C17 | 1.3° | 0.1° |
| C19 | C20 | F24 | C21 | 178.9° | 179.8° |
| C19 | C20 | C21 | C22 | 0.5° | 0.2° |
| C19 | C20 | C21 | H5 | 179.5° | 180.0° |
| C20 | C19 | C18 | H14 | 178.7° | 179.9° |
| C18 | C17 | C11 | N13 | 11.7° | 0.6° |
| C18 | C17 | C11 | C22 | 179.9° | 179.8° |
| C18 | C17 | C11 | C12 | 110.2° | 119.1° |
| C18 | C17 | C11 | C10 | 124.8° | 112.2° |
| C18 | C17 | C22 | C21 | 1.7° | 0.2° |
| C18 | C17 | C22 | F23 | 179.7° | 179.7° |
| C17 | C18 | C19 | H15 | 178.7° | 180.0° |
| C14 | N13 | C11 | C17 | 117.1° | 136.5° |
| C14 | N13 | C11 | C12 | 122.4° | 101.9° |
| C14 | N13 | C11 | C10 | 0.5° | 18.0° |
| N13 | C14 | O15 | C10 | 2.9° | 21.0° |
| N13 | C14 | N16 | H12 | 0.0° | 0.0° |
| N13 | C14 | N16 | H13 | 180.0° | 179.9° |
| C11 | N13 | C14 | O15 | 2.1° | 0.8° |
| N13 | C11 | C17 | C12 | 121.9° | 119.7° |
| N13 | C11 | C17 | C10 | 113.1° | 111.6° |
| N13 | C11 | C17 | C22 | 168.5° | 179.6° |
| N13 | C11 | C12 | C10 | 117.5° | 110.8° |
| N13 | C11 | C10 | O15 | 1.1° | 28.7° |
| N13 | C11 | C12 | N7 | 69.8° | 147.0° |
| N13 | C11 | C10 | C9 | 121.7° | 150.5° |
| N13 | C11 | C10 | H4 | 118.4° | 86.8° |
| N13 | C11 | C12 | H10 | 170.1° | 24.6° |
| N13 | C11 | C12 | H11 | 50.3° | 92.2° |
| C14 | O15 | C10 | C11 | 2.3° | 30.5° |
| C14 | O15 | C10 | C9 | 119.6° | 153.3° |
| C14 | O15 | C10 | H4 | 118.1° | 84.4° |
| O15 | C14 | N16 | H12 | 177.6° | 178.8° |
| O15 | C14 | N16 | H13 | 2.4° | 1.3° |
| F24 | C20 | C21 | C22 | 178.3° | 179.9° |
| F24 | C20 | C21 | H5 | 1.7° | 0.2° |
| F24 | C20 | C19 | H15 | 1.8° | 0.1° |
| C20 | C21 | C22 | C17 | 1.0° | 0.1° |
| C20 | C21 | C22 | H5 | 180.0° | 179.7° |
| C20 | C21 | C22 | F23 | 179.7° | 180.0° |
| C21 | C20 | C19 | H15 | 179.4° | 179.8° |
| C17 | C11 | C12 | C10 | 122.7° | 127.3° |
| C17 | C11 | C10 | O15 | 114.5° | 146.9° |
| C17 | C11 | C12 | N7 | 170.4° | 91.2° |
| C11 | C17 | C22 | C21 | 178.2° | 180.0° |
| C17 | C11 | C10 | C9 | 122.7° | 91.3° |
| C11 | C17 | C22 | F23 | 0.5° | 0.1° |
| C17 | C11 | C10 | H4 | 2.8° | 31.3° |
| C17 | C11 | C12 | H10 | 50.3° | 146.4° |
| C17 | C11 | C12 | H11 | 69.5° | 29.7° |
| C11 | C17 | C18 | H14 | 2.0° | 0.0° |
| C22 | C17 | C11 | C12 | 69.7° | 60.7° |
| C22 | C17 | C11 | C10 | 55.3° | 68.0° |
| C17 | C22 | C21 | F23 | 178.6° | 179.9° |
| C17 | C22 | C21 | H5 | 179.0° | 179.8° |
| C22 | C17 | C18 | H14 | 178.2° | 179.8° |
| N26 | C25 | C3 | C2 | 170.0° | 118.2° |
| N26 | C25 | C3 | C4 | 11.1° | 61.9° |
| C1 | C2 | C3 | H7 | 180.0° | 179.3° |
| C1 | C2 | C3 | C25 | 179.2° | 179.4° |
| C2 | C1 | C6 | H6 | 180.0° | 179.4° |
| C1 | C2 | C3 | C4 | 0.2° | 0.5° |
| C2 | C1 | C6 | N5 | 1.8° | 0.6° |
| C2 | C1 | C6 | H1 | 178.2° | 179.5° |
| C2 | C3 | C25 | C4 | 178.9° | 179.9° |
| C3 | C2 | C1 | C6 | 0.8° | 0.8° |
| C2 | C3 | C4 | N5 | 0.4° | 0.0° |
| C2 | C3 | C4 | N7 | 179.8° | 179.8° |
| C3 | C2 | C1 | H6 | 179.2° | 179.8° |
| C12 | C11 | C10 | O15 | 122.8° | 86.2° |
| C11 | C12 | N7 | H10 | 120.1° | 122.1° |
| C11 | C12 | N7 | H11 | 120.1° | 121.2° |
| C11 | C12 | N7 | C4 | 134.6° | 176.6° |
| C12 | C11 | C10 | C9 | 0.0° | 35.6° |
| C11 | C12 | N7 | C8 | 41.1° | 51.4° |
| C12 | C11 | C10 | H4 | 119.9° | 158.3° |
| C11 | C12 | H10 | H11 | 119.7° | 117.0° |
| C11 | C10 | O15 | C9 | 121.8° | 122.7° |
| C11 | C10 | O15 | H4 | 115.9° | 114.9° |
| C10 | C11 | C12 | N7 | 47.7° | 36.1° |
| C11 | C10 | C9 | H4 | 119.5° | 122.2° |
| C11 | C10 | C9 | C8 | 54.6° | 48.9° |
| C11 | C10 | C9 | H8 | 174.3° | 71.4° |
| C11 | C10 | C9 | H9 | 65.2° | 169.3° |
| C10 | C11 | C12 | H10 | 72.4° | 86.3° |
| C10 | C11 | C12 | H11 | 167.8° | 157.0° |
| C25 | C3 | C4 | N5 | 179.3° | 179.9° |
| C25 | C3 | C4 | N7 | 0.9° | 0.3° |
| C25 | C3 | C2 | H7 | 0.8° | 0.1° |
| O15 | C10 | C9 | H4 | 123.0° | 122.3° |
| O15 | C10 | C9 | C8 | 62.9° | 66.6° |
| O15 | C10 | C9 | H8 | 56.8° | 173.1° |
| O15 | C10 | C9 | H9 | 177.3° | 53.7° |
| C1 | C6 | N5 | H1 | 180.0° | 179.9° |
| C1 | C6 | N5 | C4 | 1.7° | 0.0° |
| C6 | C1 | C2 | H7 | 179.2° | 179.9° |
| C3 | C4 | N7 | C12 | 16.1° | 118.6° |
| C3 | C4 | N5 | C6 | 0.6° | 0.3° |
| C3 | C4 | N5 | N7 | 179.9° | 179.7° |
| C3 | C4 | N7 | C8 | 168.0° | 115.3° |
| C4 | C3 | C2 | H7 | 179.8° | 179.8° |
| C12 | N7 | C4 | N5 | 163.7° | 61.1° |
| C12 | N7 | C4 | C8 | 175.8° | 126.2° |
| C12 | N7 | C8 | C9 | 13.5° | 63.5° |
| C12 | N7 | C8 | H2 | 133.6° | 176.9° |
| C12 | N7 | C8 | H3 | 106.7° | 56.1° |
| N7 | C12 | H10 | H11 | 119.7° | 116.6° |
| C6 | N5 | C4 | N7 | 179.2° | 180.0° |
| N5 | C6 | C1 | H6 | 178.2° | 180.0° |
| N5 | C4 | N7 | C8 | 12.1° | 65.0° |
| C4 | N5 | C6 | H1 | 178.3° | 180.0° |
| C4 | N7 | C8 | C9 | 170.4° | 171.3° |
| C4 | N7 | C8 | H2 | 50.2° | 51.7° |
| C4 | N7 | C8 | H3 | 69.5° | 69.1° |
| C4 | N7 | C12 | H10 | 105.3° | 54.5° |
| C4 | N7 | C12 | H11 | 14.5° | 62.2° |
| C10 | C9 | C8 | N7 | 62.8° | 61.9° |
| C10 | C9 | C8 | H8 | 119.7° | 120.3° |
| C10 | C9 | C8 | H9 | 119.7° | 120.3° |
| C10 | C9 | C8 | H2 | 177.1° | 178.4° |
| C10 | C9 | C8 | H3 | 57.3° | 57.7° |
| C10 | C9 | H8 | H9 | 120.8° | 119.5° |
| F23 | C22 | C21 | H5 | 0.3° | 0.3° |
| N7 | C8 | C9 | H2 | 120.1° | 119.7° |
| N7 | C8 | C9 | H3 | 120.1° | 119.6° |
| N7 | C8 | H2 | H3 | 119.5° | 120.8° |
| N7 | C8 | C9 | H8 | 177.5° | 58.4° |
| N7 | C8 | C9 | H9 | 56.9° | 177.8° |
| C8 | N7 | C12 | H10 | 78.9° | 70.7° |
| C8 | N7 | C12 | H11 | 161.2° | 172.6° |
| C9 | C8 | H2 | H3 | 119.6° | 120.7° |
| C8 | C9 | C10 | H4 | 174.1° | 171.1° |
| C8 | C9 | H8 | H9 | 120.8° | 119.5° |
| H1 | C6 | C1 | H6 | 1.8° | 0.1° |
| H2 | C8 | C9 | H8 | 57.3° | 61.3° |
| H2 | C8 | C9 | H9 | 63.2° | 58.1° |
| H3 | C8 | C9 | H8 | 62.4° | 177.9° |
| H3 | C8 | C9 | H9 | 177.1° | 62.7° |
| H4 | C10 | C9 | H8 | 66.2° | 50.8° |
| H4 | C10 | C9 | H9 | 54.3° | 68.5° |
| H6 | C1 | C2 | H7 | 0.8° | 0.5° |
| H14 | C18 | C19 | H15 | 1.3° | 0.0° |
