Y7W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F16 | C15 | sing | 1.35Å | 1.35Å | |
| C17 | C15 | doub | 1.39Å | 1.36Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.48Å | 1.50Å | |
| C19 | O20 | sing | 1.36Å | 1.37Å | |
| O22 | C12 | doub | 1.22Å | 1.24Å | |
| C12 | N11 | sing | 1.35Å | 1.34Å | |
| O20 | C21 | sing | 1.43Å | 1.43Å | |
| N11 | C10 | sing | 1.47Å | 1.46Å | |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| C24 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.48Å | 1.47Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| N25 | C5 | doub | 1.31Å | 1.33Å | Aromatic |
| N25 | N26 | sing | 1.40Å | 1.37Å | Aromatic |
| C5 | C4 | sing | 1.47Å | 1.43Å | Aromatic |
| C27 | N26 | sing | 1.46Å | 1.43Å | |
| C27 | C29 | sing | 1.53Å | 1.51Å | |
| N26 | C33 | sing | 1.35Å | 1.35Å | Aromatic |
| F32 | C29 | sing | 1.40Å | 1.34Å | |
| N3 | C2 | sing | 1.35Å | 1.34Å | |
| C4 | C33 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C2 | sing | 1.47Å | 1.47Å | |
| C33 | N34 | sing | 1.38Å | 1.37Å | |
| C29 | F31 | sing | 1.40Å | 1.33Å | |
| C29 | F30 | sing | 1.40Å | 1.34Å | |
| C2 | O1 | doub | 1.22Å | 1.24Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.08Å | 1.08Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| N11 | H15 | sing | 0.97Å | 1.00Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| N34 | H20 | sing | 0.97Å | 1.00Å | |
| N34 | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F16 | C15 | C17 | 118.3° | 119.9° |
| F16 | C15 | C14 | 117.7° | 119.9° |
| C15 | C17 | C18 | 118.1° | 120.4° |
| C17 | C15 | C14 | 124.0° | 120.3° |
| C15 | C17 | H7 | 120.9° | 119.8° |
| C17 | C18 | C19 | 120.0° | 120.1° |
| C18 | C17 | H7 | 120.9° | 119.8° |
| C17 | C18 | H17 | 120.0° | 120.0° |
| C15 | C14 | C13 | 118.4° | 119.9° |
| C15 | C14 | H16 | 120.8° | 120.0° |
| C14 | C13 | C19 | 118.4° | 119.7° |
| C14 | C13 | C12 | 114.6° | 120.2° |
| C13 | C14 | H16 | 120.8° | 120.1° |
| C18 | C19 | C13 | 121.0° | 119.7° |
| C18 | C19 | O20 | 122.7° | 120.1° |
| C19 | C18 | H17 | 120.0° | 119.9° |
| C19 | C13 | C12 | 127.0° | 120.1° |
| C13 | C19 | O20 | 116.3° | 120.1° |
| C13 | C12 | O22 | 120.7° | 120.0° |
| C13 | C12 | N11 | 116.7° | 119.9° |
| C19 | O20 | C21 | 118.0° | 117.0° |
| O22 | C12 | N11 | 122.6° | 120.0° |
| C12 | N11 | C10 | 121.9° | 119.9° |
| C12 | N11 | H15 | 119.0° | 120.0° |
| O20 | C21 | H8 | 109.5° | 109.5° |
| O20 | C21 | H9 | 109.5° | 109.5° |
| O20 | C21 | H10 | 109.5° | 109.5° |
| N11 | C10 | C9 | 112.4° | 109.4° |
| N11 | C10 | H5 | 108.8° | 109.5° |
| N11 | C10 | H6 | 108.7° | 109.5° |
| C10 | N11 | H15 | 119.0° | 120.0° |
| C24 | C23 | C9 | 121.1° | 120.1° |
| C23 | C24 | C6 | 120.5° | 119.9° |
| C23 | C24 | H11 | 119.7° | 120.0° |
| C24 | C23 | H18 | 119.4° | 120.0° |
| C23 | C9 | C10 | 121.2° | 119.9° |
| C23 | C9 | C8 | 118.4° | 120.3° |
| C9 | C23 | H18 | 119.5° | 120.0° |
| C10 | C9 | C8 | 120.4° | 119.9° |
| C9 | C10 | H5 | 108.7° | 109.5° |
| C9 | C10 | H6 | 108.7° | 109.5° |
| C24 | C6 | C5 | 120.4° | 120.1° |
| C24 | C6 | C7 | 118.4° | 119.7° |
| C6 | C24 | H11 | 119.7° | 120.1° |
| C9 | C8 | C7 | 120.9° | 120.2° |
| C9 | C8 | H4 | 119.5° | 119.9° |
| C28 | C27 | N26 | 113.2° | 109.5° |
| C28 | C27 | C29 | 111.6° | 109.4° |
| C27 | C28 | H12 | 109.5° | 109.5° |
| C27 | C28 | H13 | 109.5° | 109.5° |
| C27 | C28 | H14 | 109.4° | 109.5° |
| C28 | C27 | H19 | 106.6° | 109.4° |
| C5 | C6 | C7 | 121.2° | 120.2° |
| C6 | C5 | N25 | 118.4° | 126.5° |
| C6 | C5 | C4 | 130.6° | 126.4° |
| C6 | C7 | C8 | 120.7° | 119.9° |
| C6 | C7 | H3 | 119.7° | 120.0° |
| C8 | C7 | H3 | 119.6° | 120.1° |
| C7 | C8 | H4 | 119.5° | 119.9° |
| C5 | N25 | N26 | 105.8° | 109.4° |
| N25 | C5 | C4 | 110.8° | 107.1° |
| N25 | N26 | C27 | 119.5° | 125.2° |
| N25 | N26 | C33 | 112.0° | 109.6° |
| C5 | C4 | C33 | 104.7° | 106.2° |
| C5 | C4 | C2 | 131.5° | 126.9° |
| N26 | C27 | C29 | 110.5° | 109.5° |
| C27 | N26 | C33 | 128.4° | 125.2° |
| N26 | C27 | H19 | 107.7° | 109.5° |
| C27 | C29 | F32 | 112.6° | 109.4° |
| C27 | C29 | F31 | 111.7° | 109.5° |
| C27 | C29 | F30 | 110.7° | 109.5° |
| C29 | C27 | H19 | 106.8° | 109.5° |
| N26 | C33 | C4 | 106.7° | 107.6° |
| N26 | C33 | N34 | 124.3° | 126.2° |
| F32 | C29 | F31 | 107.5° | 109.5° |
| F32 | C29 | F30 | 107.2° | 109.5° |
| N3 | C2 | C4 | 118.7° | 120.0° |
| N3 | C2 | O1 | 121.4° | 120.0° |
| C2 | N3 | H1 | 120.0° | 120.0° |
| C2 | N3 | H2 | 120.0° | 120.0° |
| C33 | C4 | C2 | 123.8° | 126.9° |
| C4 | C33 | N34 | 128.8° | 126.2° |
| C4 | C2 | O1 | 119.5° | 120.0° |
| C33 | N34 | H20 | 109.5° | 120.0° |
| C33 | N34 | H21 | 109.5° | 120.0° |
| F31 | C29 | F30 | 106.9° | 109.5° |
| H1 | N3 | H2 | 120.1° | 120.0° |
| H5 | C10 | H6 | 109.5° | 109.5° |
| H8 | C21 | H9 | 109.4° | 109.4° |
| H8 | C21 | H10 | 109.5° | 109.5° |
| H9 | C21 | H10 | 109.5° | 109.5° |
| H12 | C28 | H13 | 109.5° | 109.5° |
| H12 | C28 | H14 | 109.5° | 109.4° |
| H13 | C28 | H14 | 109.4° | 109.5° |
| H20 | N34 | H21 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F16 | C15 | C17 | C14 | 178.9° | 179.9° |
| F16 | C15 | C17 | C18 | 179.5° | 179.7° |
| F16 | C15 | C14 | C13 | 179.7° | 180.0° |
| F16 | C15 | C17 | H7 | 0.5° | 0.1° |
| F16 | C15 | C14 | H16 | 0.3° | 0.1° |
| C15 | C17 | C18 | H7 | 180.0° | 179.6° |
| C17 | C15 | C14 | C13 | 0.7° | 0.1° |
| C15 | C17 | C18 | C19 | 0.2° | 0.7° |
| C17 | C15 | C14 | H16 | 179.3° | 180.0° |
| C15 | C17 | C18 | H17 | 179.8° | 180.0° |
| C18 | C17 | C15 | C14 | 0.6° | 0.4° |
| C17 | C18 | C19 | H17 | 180.0° | 179.3° |
| C17 | C18 | C19 | C13 | 0.1° | 0.6° |
| C17 | C18 | C19 | O20 | 178.6° | 179.4° |
| C15 | C14 | C13 | H16 | 180.0° | 179.9° |
| C15 | C14 | C13 | C19 | 0.4° | 0.0° |
| C15 | C14 | C13 | C12 | 178.3° | 179.7° |
| C14 | C15 | C17 | H7 | 179.4° | 180.0° |
| C14 | C13 | C19 | C18 | 0.0° | 0.3° |
| C14 | C13 | C19 | C12 | 177.6° | 179.7° |
| C14 | C13 | C19 | O20 | 178.8° | 179.7° |
| C14 | C13 | C12 | O22 | 1.3° | 179.7° |
| C14 | C13 | C12 | N11 | 178.0° | 0.3° |
| C18 | C19 | C13 | O20 | 178.8° | 180.0° |
| C18 | C19 | C13 | C12 | 177.6° | 180.0° |
| C18 | C19 | O20 | C21 | 4.1° | 0.0° |
| C19 | C18 | C17 | H7 | 179.8° | 179.7° |
| C19 | C13 | C12 | O22 | 178.9° | 0.1° |
| C19 | C13 | C12 | N11 | 0.3° | 180.0° |
| C13 | C19 | O20 | C21 | 174.6° | 180.0° |
| C19 | C13 | C14 | H16 | 179.6° | 180.0° |
| C13 | C19 | C18 | H17 | 179.9° | 180.0° |
| C12 | C13 | C19 | O20 | 3.6° | 0.0° |
| C13 | C12 | O22 | N11 | 179.2° | 179.9° |
| C13 | C12 | N11 | C10 | 175.8° | 180.0° |
| C13 | C12 | N11 | H15 | 4.2° | 0.0° |
| C12 | C13 | C14 | H16 | 1.7° | 0.4° |
| C19 | O20 | C21 | H8 | 180.0° | 60.0° |
| C19 | O20 | C21 | H9 | 60.0° | 60.0° |
| C19 | O20 | C21 | H10 | 60.0° | 180.0° |
| O20 | C19 | C18 | H17 | 1.4° | 0.0° |
| O22 | C12 | N11 | C10 | 3.4° | 0.0° |
| O22 | C12 | N11 | H15 | 176.6° | 180.0° |
| C12 | N11 | C10 | H15 | 180.0° | 180.0° |
| C12 | N11 | C10 | C9 | 131.3° | 180.0° |
| C12 | N11 | C10 | H5 | 10.8° | 60.0° |
| C12 | N11 | C10 | H6 | 108.3° | 60.0° |
| O20 | C21 | H8 | H9 | 120.0° | 120.0° |
| O20 | C21 | H8 | H10 | 120.0° | 120.1° |
| O20 | C21 | H9 | H10 | 120.0° | 120.0° |
| N11 | C10 | C9 | C23 | 43.9° | 89.7° |
| N11 | C10 | C9 | H5 | 120.5° | 120.0° |
| N11 | C10 | C9 | H6 | 120.4° | 120.0° |
| N11 | C10 | C9 | C8 | 136.2° | 90.0° |
| N11 | C10 | H5 | H6 | 118.7° | 120.1° |
| C24 | C23 | C9 | H18 | 180.0° | 180.0° |
| C24 | C23 | C9 | C10 | 178.6° | 180.0° |
| C23 | C24 | C6 | H11 | 180.0° | 179.9° |
| C24 | C23 | C9 | C8 | 1.2° | 0.3° |
| C23 | C24 | C6 | C5 | 178.6° | 180.0° |
| C23 | C24 | C6 | C7 | 1.2° | 0.2° |
| C23 | C9 | C10 | C8 | 179.8° | 179.7° |
| C9 | C23 | C24 | C6 | 0.2° | 0.0° |
| C23 | C9 | C8 | C7 | 0.9° | 0.3° |
| C23 | C9 | C8 | H4 | 179.1° | 179.8° |
| C23 | C9 | C10 | H5 | 76.5° | 30.2° |
| C23 | C9 | C10 | H6 | 164.3° | 150.3° |
| C9 | C23 | C24 | H11 | 179.8° | 179.9° |
| C10 | C9 | C8 | C7 | 179.0° | 180.0° |
| C10 | C9 | C8 | H4 | 1.0° | 0.0° |
| C9 | C10 | H5 | H6 | 118.7° | 120.0° |
| C9 | C10 | N11 | H15 | 48.8° | 0.0° |
| C10 | C9 | C23 | H18 | 1.4° | 0.0° |
| C24 | C6 | C5 | C7 | 179.8° | 179.8° |
| C24 | C6 | C7 | C8 | 1.6° | 0.2° |
| C24 | C6 | C5 | N25 | 58.5° | 144.8° |
| C24 | C6 | C5 | C4 | 128.5° | 35.2° |
| C24 | C6 | C7 | H3 | 178.4° | 179.7° |
| C6 | C24 | C23 | H18 | 179.8° | 180.0° |
| C9 | C8 | C7 | C6 | 0.5° | 0.1° |
| C9 | C8 | C7 | H4 | 180.0° | 179.9° |
| C9 | C8 | C7 | H3 | 179.5° | 180.0° |
| C8 | C9 | C10 | H5 | 103.3° | 150.0° |
| C8 | C9 | C10 | H6 | 15.8° | 30.0° |
| C8 | C9 | C23 | H18 | 178.8° | 179.7° |
| C28 | C27 | N26 | N25 | 51.4° | 60.0° |
| C28 | C27 | N26 | C29 | 126.0° | 120.0° |
| C28 | C27 | N26 | H19 | 117.7° | 120.0° |
| C28 | C27 | C29 | H19 | 116.2° | 119.9° |
| C28 | C27 | N26 | C33 | 126.7° | 120.0° |
| C28 | C27 | C29 | F32 | 56.0° | 180.0° |
| C28 | C27 | C29 | F31 | 65.0° | 60.0° |
| C28 | C27 | C29 | F30 | 175.9° | 60.0° |
| C27 | C28 | H12 | H13 | 120.0° | 120.0° |
| C27 | C28 | H12 | H14 | 120.0° | 120.0° |
| C27 | C28 | H13 | H14 | 120.0° | 120.0° |
| C5 | C6 | C7 | C8 | 178.2° | 180.0° |
| C6 | C5 | N25 | C4 | 174.3° | 180.0° |
| C6 | C5 | N25 | N26 | 173.9° | 180.0° |
| C6 | C5 | C4 | C33 | 172.4° | 180.0° |
| C6 | C5 | C4 | C2 | 8.0° | 0.2° |
| C5 | C6 | C7 | H3 | 1.8° | 0.0° |
| C5 | C6 | C24 | H11 | 1.4° | 0.1° |
| C6 | C7 | C8 | H3 | 180.0° | 179.9° |
| C7 | C6 | C5 | N25 | 121.3° | 35.0° |
| C7 | C6 | C5 | C4 | 51.7° | 145.0° |
| C6 | C7 | C8 | H4 | 179.5° | 180.0° |
| C7 | C6 | C24 | H11 | 178.8° | 179.7° |
| C5 | N25 | N26 | C27 | 178.0° | 180.0° |
| C5 | N25 | N26 | C33 | 0.4° | 0.0° |
| N25 | C5 | C4 | C33 | 1.0° | 0.0° |
| N25 | C5 | C4 | C2 | 178.6° | 179.8° |
| N26 | N25 | C5 | C4 | 0.4° | 0.0° |
| N25 | N26 | C27 | C33 | 178.0° | 180.0° |
| N25 | N26 | C27 | C29 | 74.7° | 59.9° |
| N25 | N26 | C33 | C4 | 1.0° | 0.0° |
| N25 | N26 | C33 | N34 | 176.4° | 179.8° |
| N25 | N26 | C27 | H19 | 169.0° | 180.0° |
| C5 | C4 | C33 | N26 | 1.2° | 0.0° |
| C5 | C4 | C2 | N3 | 15.0° | 89.8° |
| C5 | C4 | C33 | C2 | 179.7° | 179.8° |
| C5 | C4 | C33 | N34 | 176.3° | 179.8° |
| C5 | C4 | C2 | O1 | 170.8° | 90.3° |
| N26 | C27 | C29 | H19 | 116.9° | 120.1° |
| N26 | C27 | C29 | F32 | 70.9° | 60.0° |
| C27 | N26 | C33 | C4 | 177.1° | 180.0° |
| C27 | N26 | C33 | N34 | 1.7° | 0.3° |
| N26 | C27 | C29 | F31 | 168.0° | 60.0° |
| N26 | C27 | C29 | F30 | 49.0° | 180.0° |
| N26 | C27 | C28 | H12 | 180.0° | 60.0° |
| N26 | C27 | C28 | H13 | 60.0° | 180.0° |
| N26 | C27 | C28 | H14 | 60.0° | 60.0° |
| C29 | C27 | N26 | C33 | 107.3° | 120.0° |
| C27 | C29 | F32 | F31 | 123.4° | 120.0° |
| C27 | C29 | F32 | F30 | 122.0° | 120.0° |
| C27 | C29 | F31 | F30 | 121.3° | 120.0° |
| C29 | C27 | C28 | H12 | 54.5° | 60.0° |
| C29 | C27 | C28 | H13 | 174.6° | 60.0° |
| C29 | C27 | C28 | H14 | 65.5° | 180.0° |
| N26 | C33 | C4 | N34 | 175.1° | 179.8° |
| N26 | C33 | C4 | C2 | 178.4° | 179.8° |
| C33 | N26 | C27 | H19 | 9.0° | 0.0° |
| N26 | C33 | N34 | H20 | 180.0° | 179.7° |
| N26 | C33 | N34 | H21 | 60.0° | 0.4° |
| F32 | C29 | F31 | F30 | 114.8° | 120.0° |
| F32 | C29 | C27 | H19 | 172.2° | 60.0° |
| N3 | C2 | C4 | C33 | 164.5° | 90.0° |
| N3 | C2 | C4 | O1 | 174.1° | 180.0° |
| C2 | N3 | H1 | H2 | 180.0° | 179.8° |
| C33 | C4 | C2 | O1 | 9.6° | 90.0° |
| C4 | C33 | N34 | H20 | 5.7° | 0.0° |
| C4 | C33 | N34 | H21 | 114.3° | 179.9° |
| C2 | C4 | C33 | N34 | 3.3° | 0.0° |
| C4 | C2 | N3 | H1 | 174.0° | 0.1° |
| C4 | C2 | N3 | H2 | 6.0° | 179.8° |
| C33 | N34 | H20 | H21 | 120.0° | 179.9° |
| F31 | C29 | C27 | H19 | 51.2° | 180.0° |
| F30 | C29 | C27 | H19 | 67.9° | 60.0° |
| O1 | C2 | N3 | H1 | 0.0° | 180.0° |
| O1 | C2 | N3 | H2 | 180.0° | 0.2° |
| H3 | C7 | C8 | H4 | 0.5° | 0.1° |
| H5 | C10 | N11 | H15 | 169.2° | 120.0° |
| H6 | C10 | N11 | H15 | 71.7° | 120.0° |
| H7 | C17 | C18 | H17 | 0.2° | 0.4° |
| H8 | C21 | H9 | H10 | 120.0° | 120.0° |
| H11 | C24 | C23 | H18 | 0.2° | 0.0° |
| H12 | C28 | H13 | H14 | 120.0° | 119.9° |
| H12 | C28 | C27 | H19 | 61.7° | 180.0° |
| H13 | C28 | C27 | H19 | 58.3° | 60.0° |
| H14 | C28 | C27 | H19 | 178.3° | 60.1° |
