10W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C17 | doub | 1.38Å | 1.42Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | C12 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | C11 | doub | 1.35Å | 1.41Å | Aromatic |
| C9 | C8 | doub | 1.34Å | 1.43Å | Aromatic |
| F1 | C15 | sing | 1.35Å | 1.32Å | |
| C15 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.42Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.48Å | 1.46Å | |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | S1 | sing | 1.76Å | 1.69Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.43Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | S1 | sing | 1.76Å | 1.69Å | Aromatic |
| C8 | C5 | sing | 1.51Å | 1.48Å | |
| C6 | N4 | sing | 1.48Å | 1.47Å | |
| C6 | C5 | sing | 1.55Å | 1.53Å | |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | C18 | sing | 1.43Å | 1.43Å | |
| C19 | N4 | sing | 1.40Å | 1.41Å | |
| C19 | C24 | doub | 1.39Å | 1.42Å | Aromatic |
| N4 | C7 | sing | 1.47Å | 1.47Å | |
| C5 | C4 | sing | 1.54Å | 1.57Å | |
| C5 | N2 | sing | 1.47Å | 1.47Å | |
| C23 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | C7 | sing | 1.54Å | 1.52Å | |
| C4 | C1 | sing | 1.49Å | 1.55Å | |
| C18 | N5 | trip | 1.14Å | 1.16Å | |
| N2 | C2 | sing | 1.38Å | 1.39Å | |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C1 | N1 | sing | 1.34Å | 1.38Å | |
| C2 | N1 | sing | 1.38Å | 1.38Å | |
| C2 | N3 | doub | 1.30Å | 1.31Å | |
| N1 | C3 | sing | 1.46Å | 1.50Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.08Å | 1.08Å | |
| C24 | H20 | sing | 1.08Å | 1.08Å | |
| N2 | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C16 | C15 | 119.1° | 120.3° |
| C16 | C17 | C12 | 120.4° | 120.2° |
| C17 | C16 | H14 | 120.5° | 119.8° |
| C16 | C17 | H15 | 119.8° | 119.9° |
| C16 | C15 | F1 | 118.0° | 119.9° |
| C16 | C15 | C14 | 120.7° | 120.1° |
| C15 | C16 | H14 | 120.4° | 119.9° |
| C17 | C12 | C11 | 123.6° | 120.0° |
| C17 | C12 | C13 | 119.3° | 119.9° |
| C12 | C17 | H15 | 119.8° | 119.9° |
| C9 | C10 | C11 | 113.5° | 114.6° |
| C10 | C9 | C8 | 113.1° | 115.1° |
| C10 | C9 | H11 | 123.4° | 122.4° |
| C9 | C10 | H12 | 123.3° | 122.7° |
| C10 | C11 | C12 | 127.6° | 125.2° |
| C10 | C11 | S1 | 108.6° | 109.5° |
| C11 | C10 | H12 | 123.3° | 122.7° |
| C9 | C8 | S1 | 107.9° | 109.8° |
| C9 | C8 | C5 | 128.3° | 125.1° |
| C8 | C9 | H11 | 123.4° | 122.5° |
| F1 | C15 | C14 | 121.3° | 120.0° |
| C15 | C14 | C13 | 119.3° | 119.8° |
| C15 | C14 | C18 | 122.8° | 120.1° |
| C20 | C21 | C22 | 119.9° | 120.1° |
| C21 | C20 | C19 | 121.0° | 119.9° |
| C21 | C20 | H16 | 119.5° | 120.1° |
| C20 | C21 | H17 | 120.0° | 119.9° |
| C21 | C22 | C23 | 120.2° | 120.2° |
| C22 | C21 | H17 | 120.0° | 120.0° |
| C21 | C22 | H18 | 119.9° | 119.9° |
| C11 | C12 | C13 | 117.0° | 120.1° |
| C12 | C11 | S1 | 123.7° | 125.3° |
| C12 | C13 | C14 | 121.2° | 119.7° |
| C12 | C13 | H13 | 119.4° | 120.1° |
| C11 | S1 | C8 | 96.9° | 91.0° |
| C20 | C19 | N4 | 121.3° | 120.0° |
| C20 | C19 | C24 | 117.9° | 119.9° |
| C19 | C20 | H16 | 119.5° | 120.1° |
| C22 | C23 | C24 | 119.8° | 120.1° |
| C23 | C22 | H18 | 119.9° | 120.0° |
| C22 | C23 | H19 | 120.1° | 120.0° |
| S1 | C8 | C5 | 123.7° | 125.1° |
| C8 | C5 | C6 | 117.6° | 112.8° |
| C8 | C5 | C4 | 107.8° | 112.2° |
| C8 | C5 | N2 | 109.8° | 111.7° |
| N4 | C6 | C5 | 103.4° | 105.2° |
| C6 | N4 | C19 | 123.4° | 111.1° |
| C6 | N4 | C7 | 114.3° | 108.5° |
| N4 | C6 | H7 | 111.0° | 110.2° |
| N4 | C6 | H8 | 111.0° | 110.3° |
| C6 | C5 | C4 | 103.5° | 102.2° |
| C6 | C5 | N2 | 109.5° | 108.4° |
| C5 | C6 | H7 | 111.0° | 110.2° |
| C5 | C6 | H8 | 111.0° | 110.4° |
| C13 | C14 | C18 | 117.9° | 120.1° |
| C14 | C13 | H13 | 119.4° | 120.1° |
| C14 | C18 | N5 | 178.5° | 180.0° |
| N4 | C19 | C24 | 120.7° | 120.1° |
| C19 | N4 | C7 | 122.3° | 111.1° |
| C19 | C24 | C23 | 121.1° | 119.9° |
| C19 | C24 | H20 | 119.4° | 120.0° |
| N4 | C7 | C4 | 101.9° | 107.7° |
| N4 | C7 | H9 | 111.3° | 109.8° |
| N4 | C7 | H10 | 111.3° | 109.6° |
| C4 | C5 | N2 | 108.2° | 109.0° |
| C5 | C4 | C7 | 104.6° | 103.6° |
| C5 | C4 | C1 | 114.4° | 111.6° |
| C5 | C4 | H6 | 108.3° | 110.8° |
| C5 | N2 | C2 | 122.4° | 117.6° |
| C5 | N2 | H21 | 118.8° | 121.2° |
| C24 | C23 | H19 | 120.1° | 119.9° |
| C23 | C24 | H20 | 119.5° | 120.1° |
| C7 | C4 | C1 | 112.2° | 110.3° |
| C7 | C4 | H6 | 108.9° | 110.2° |
| C4 | C7 | H9 | 111.3° | 109.9° |
| C4 | C7 | H10 | 111.3° | 109.9° |
| C4 | C1 | O1 | 121.0° | 118.1° |
| C4 | C1 | N1 | 116.2° | 123.8° |
| C1 | C4 | H6 | 108.4° | 110.2° |
| N2 | C2 | N1 | 120.5° | 117.4° |
| N2 | C2 | N3 | 119.7° | 121.3° |
| C2 | N2 | H21 | 118.8° | 121.2° |
| O1 | C1 | N1 | 122.8° | 118.1° |
| C1 | N1 | C2 | 123.6° | 120.6° |
| C1 | N1 | C3 | 115.5° | 119.7° |
| N1 | C2 | N3 | 119.8° | 121.3° |
| C2 | N1 | C3 | 120.9° | 119.7° |
| C2 | N3 | H1 | 112.0° | 119.9° |
| N1 | C3 | H3 | 109.5° | 109.5° |
| N1 | C3 | H4 | 109.5° | 109.5° |
| N1 | C3 | H5 | 109.5° | 109.5° |
| H3 | C3 | H4 | 109.4° | 109.4° |
| H3 | C3 | H5 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 110.4° |
| H9 | C7 | H10 | 109.4° | 109.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C16 | C15 | H14 | 180.0° | 179.4° |
| C16 | C17 | C12 | H15 | 180.0° | 179.5° |
| C17 | C16 | C15 | F1 | 179.8° | 179.7° |
| C17 | C16 | C15 | C14 | 0.0° | 0.3° |
| C16 | C17 | C12 | C11 | 177.4° | 179.6° |
| C16 | C17 | C12 | C13 | 1.3° | 0.5° |
| C15 | C16 | C17 | C12 | 0.8° | 0.6° |
| C16 | C15 | F1 | C14 | 179.8° | 180.0° |
| C16 | C15 | C14 | C13 | 0.2° | 0.0° |
| C16 | C15 | C14 | C18 | 180.0° | 179.9° |
| C15 | C16 | C17 | H15 | 179.2° | 179.9° |
| C17 | C12 | C11 | C10 | 4.7° | 179.8° |
| C17 | C12 | C11 | C13 | 176.2° | 179.8° |
| C17 | C12 | C11 | S1 | 179.3° | 0.2° |
| C17 | C12 | C13 | C14 | 1.1° | 0.2° |
| C17 | C12 | C13 | H13 | 178.9° | 179.7° |
| C12 | C17 | C16 | H14 | 179.2° | 180.0° |
| C9 | C10 | C11 | H12 | 180.0° | 180.0° |
| C10 | C9 | C8 | H11 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 176.9° | 179.9° |
| C9 | C10 | C11 | S1 | 0.4° | 0.0° |
| C10 | C9 | C8 | S1 | 0.3° | 0.0° |
| C10 | C9 | C8 | C5 | 178.9° | 179.7° |
| C11 | C10 | C9 | C8 | 0.4° | 0.0° |
| C10 | C11 | C12 | S1 | 176.1° | 180.0° |
| C10 | C11 | C12 | C13 | 171.5° | 0.0° |
| C10 | C11 | S1 | C8 | 0.2° | 0.0° |
| C11 | C10 | C9 | H11 | 179.5° | 180.0° |
| C9 | C8 | S1 | C11 | 0.1° | 0.0° |
| C9 | C8 | S1 | C5 | 179.2° | 179.7° |
| C9 | C8 | C5 | C6 | 46.3° | 94.9° |
| C9 | C8 | C5 | C4 | 70.1° | 150.3° |
| C9 | C8 | C5 | N2 | 172.3° | 27.5° |
| C8 | C9 | C10 | H12 | 179.5° | 180.0° |
| F1 | C15 | C14 | C13 | 179.9° | 179.9° |
| F1 | C15 | C14 | C18 | 0.3° | 0.0° |
| F1 | C15 | C16 | H14 | 0.3° | 0.3° |
| C15 | C14 | C13 | C12 | 0.4° | 0.1° |
| C15 | C14 | C13 | C18 | 179.8° | 179.9° |
| C15 | C14 | C18 | N5 | 171.6° | 10.0° |
| C15 | C14 | C13 | H13 | 179.6° | 180.0° |
| C14 | C15 | C16 | H14 | 180.0° | 179.7° |
| C20 | C21 | C22 | H17 | 180.0° | 179.9° |
| C21 | C20 | C19 | H16 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C21 | C20 | C19 | N4 | 179.9° | 180.0° |
| C21 | C20 | C19 | C24 | 0.0° | 0.2° |
| C20 | C21 | C22 | H18 | 179.9° | 179.9° |
| C22 | C21 | C20 | C19 | 0.0° | 0.1° |
| C21 | C22 | C23 | H18 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.3° |
| C22 | C21 | C20 | H16 | 180.0° | 180.0° |
| C21 | C22 | C23 | H19 | 179.9° | 180.0° |
| C12 | C11 | S1 | C8 | 176.9° | 180.0° |
| C11 | C12 | C13 | C14 | 177.5° | 180.0° |
| C12 | C11 | C10 | H12 | 3.1° | 0.1° |
| C11 | C12 | C13 | H13 | 2.5° | 0.1° |
| C11 | C12 | C17 | H15 | 2.6° | 0.2° |
| C13 | C12 | C11 | S1 | 4.6° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C18 | 179.4° | 180.0° |
| C13 | C12 | C17 | H15 | 178.7° | 180.0° |
| C11 | S1 | C8 | C5 | 179.2° | 179.7° |
| S1 | C11 | C10 | H12 | 179.6° | 180.0° |
| C20 | C19 | N4 | C6 | 5.1° | 23.9° |
| C20 | C19 | N4 | C24 | 179.9° | 179.8° |
| C20 | C19 | N4 | C7 | 175.0° | 144.7° |
| C20 | C19 | C24 | C23 | 0.0° | 0.5° |
| C19 | C20 | C21 | H17 | 180.0° | 180.0° |
| C20 | C19 | C24 | H20 | 180.0° | 179.8° |
| C22 | C23 | C24 | C19 | 0.0° | 0.5° |
| C22 | C23 | C24 | H19 | 180.0° | 179.7° |
| C23 | C22 | C21 | H17 | 180.0° | 180.0° |
| C22 | C23 | C24 | H20 | 180.0° | 179.7° |
| S1 | C8 | C5 | C6 | 134.6° | 84.8° |
| S1 | C8 | C5 | C4 | 109.0° | 30.1° |
| S1 | C8 | C5 | N2 | 8.7° | 152.8° |
| S1 | C8 | C9 | H11 | 179.7° | 180.0° |
| C8 | C5 | C6 | N4 | 143.3° | 155.8° |
| C8 | C5 | C6 | C4 | 118.7° | 120.7° |
| C8 | C5 | C6 | N2 | 126.1° | 124.3° |
| C8 | C5 | C4 | N2 | 118.6° | 124.3° |
| C8 | C5 | C4 | C7 | 160.8° | 154.2° |
| C8 | C5 | C4 | C1 | 76.2° | 87.2° |
| C8 | C5 | N2 | C2 | 80.9° | 72.1° |
| C8 | C5 | C4 | H6 | 44.8° | 36.0° |
| C8 | C5 | C6 | H7 | 97.6° | 37.0° |
| C8 | C5 | C6 | H8 | 24.3° | 85.3° |
| C5 | C8 | C9 | H11 | 1.1° | 0.3° |
| C8 | C5 | N2 | H21 | 99.1° | 107.9° |
| N4 | C6 | C5 | H7 | 119.0° | 118.8° |
| N4 | C6 | C5 | H8 | 119.0° | 119.0° |
| C6 | N4 | C19 | C7 | 179.9° | 120.9° |
| C6 | N4 | C19 | C24 | 174.8° | 156.4° |
| N4 | C6 | C5 | C4 | 24.7° | 35.0° |
| N4 | C6 | C5 | N2 | 90.5° | 80.0° |
| C6 | N4 | C7 | C4 | 16.4° | 2.1° |
| N4 | C6 | H7 | H8 | 122.8° | 122.1° |
| C6 | N4 | C7 | H9 | 135.2° | 121.7° |
| C6 | N4 | C7 | H10 | 102.4° | 117.4° |
| C5 | C6 | N4 | C19 | 174.2° | 145.8° |
| C5 | C6 | N4 | C7 | 5.7° | 23.4° |
| C6 | C5 | C4 | N2 | 116.1° | 114.6° |
| C6 | C5 | C4 | C7 | 35.5° | 33.0° |
| C6 | C5 | C4 | C1 | 158.5° | 151.7° |
| C6 | C5 | N2 | C2 | 148.5° | 163.0° |
| C6 | C5 | C4 | H6 | 80.5° | 85.2° |
| C5 | C6 | H7 | H8 | 122.8° | 122.3° |
| C6 | C5 | N2 | H21 | 31.4° | 17.1° |
| C13 | C14 | C18 | N5 | 8.2° | 170.0° |
| C18 | C14 | C13 | H13 | 0.6° | 0.1° |
| N4 | C19 | C24 | C23 | 179.9° | 179.7° |
| C19 | N4 | C7 | C4 | 163.7° | 124.5° |
| C19 | N4 | C6 | H7 | 55.2° | 27.1° |
| C19 | N4 | C6 | H8 | 66.8° | 95.1° |
| C19 | N4 | C7 | H9 | 45.0° | 115.9° |
| C19 | N4 | C7 | H10 | 77.5° | 4.9° |
| N4 | C19 | C20 | H16 | 0.1° | 0.0° |
| N4 | C19 | C24 | H20 | 0.1° | 0.0° |
| C24 | C19 | N4 | C7 | 5.1° | 35.5° |
| C19 | C24 | C23 | H20 | 180.0° | 179.7° |
| C24 | C19 | C20 | H16 | 180.0° | 179.7° |
| C19 | C24 | C23 | H19 | 180.0° | 179.8° |
| N4 | C7 | C4 | C5 | 31.0° | 20.0° |
| N4 | C7 | C4 | H9 | 118.8° | 119.6° |
| N4 | C7 | C4 | H10 | 118.8° | 119.4° |
| N4 | C7 | C4 | C1 | 155.5° | 139.6° |
| N4 | C7 | C4 | H6 | 84.5° | 98.6° |
| C7 | N4 | C6 | H7 | 124.7° | 95.3° |
| C7 | N4 | C6 | H8 | 113.3° | 142.5° |
| N4 | C7 | H9 | H10 | 123.5° | 120.7° |
| C5 | C4 | C7 | C1 | 124.5° | 119.6° |
| C5 | C4 | C7 | H6 | 115.5° | 118.6° |
| C5 | C4 | C1 | H6 | 120.9° | 123.5° |
| C4 | C5 | N2 | C2 | 36.4° | 52.5° |
| C5 | C4 | C1 | O1 | 154.6° | 164.5° |
| C5 | C4 | C1 | N1 | 26.0° | 15.1° |
| C4 | C5 | C6 | H7 | 143.7° | 83.8° |
| C4 | C5 | C6 | H8 | 94.4° | 154.0° |
| C5 | C4 | C7 | H9 | 149.8° | 99.6° |
| C5 | C4 | C7 | H10 | 87.8° | 139.4° |
| C4 | C5 | N2 | H21 | 143.5° | 127.5° |
| N2 | C5 | C4 | C7 | 80.6° | 81.5° |
| N2 | C5 | C4 | C1 | 42.5° | 37.1° |
| C5 | N2 | C2 | H21 | 180.0° | 179.9° |
| C5 | N2 | C2 | N1 | 10.6° | 41.4° |
| C5 | N2 | C2 | N3 | 169.5° | 138.6° |
| N2 | C5 | C4 | H6 | 163.4° | 160.3° |
| N2 | C5 | C6 | H7 | 28.5° | 161.3° |
| N2 | C5 | C6 | H8 | 150.4° | 39.0° |
| C24 | C23 | C22 | H18 | 179.9° | 179.7° |
| C7 | C4 | C1 | H6 | 120.3° | 121.9° |
| C7 | C4 | C1 | O1 | 86.6° | 80.8° |
| C7 | C4 | C1 | N1 | 92.9° | 99.5° |
| C4 | C7 | H9 | H10 | 123.5° | 121.0° |
| C4 | C1 | O1 | N1 | 179.4° | 179.7° |
| C4 | C1 | N1 | C2 | 2.1° | 1.9° |
| C4 | C1 | N1 | C3 | 178.3° | 178.1° |
| C1 | C4 | C7 | H9 | 85.7° | 20.0° |
| C1 | C4 | C7 | H10 | 36.7° | 101.1° |
| N2 | C2 | N1 | C1 | 11.5° | 13.8° |
| N2 | C2 | N1 | N3 | 179.9° | 180.0° |
| N2 | C2 | N1 | C3 | 168.9° | 166.2° |
| N2 | C2 | N3 | H1 | 179.9° | 180.0° |
| O1 | C1 | N1 | C2 | 177.3° | 177.7° |
| O1 | C1 | N1 | C3 | 2.3° | 2.3° |
| O1 | C1 | C4 | H6 | 33.7° | 41.0° |
| C1 | N1 | C2 | C3 | 179.6° | 180.0° |
| C1 | N1 | C2 | N3 | 168.4° | 166.1° |
| C1 | N1 | C3 | H3 | 180.0° | 90.0° |
| C1 | N1 | C3 | H4 | 60.0° | 150.0° |
| C1 | N1 | C3 | H5 | 60.0° | 30.0° |
| N1 | C1 | C4 | H6 | 146.9° | 138.6° |
| N1 | C2 | N3 | H1 | 0.0° | 0.0° |
| C2 | N1 | C3 | H3 | 0.4° | 90.0° |
| C2 | N1 | C3 | H4 | 120.4° | 30.0° |
| C2 | N1 | C3 | H5 | 119.6° | 150.0° |
| N1 | C2 | N2 | H21 | 169.4° | 138.7° |
| N3 | C2 | N1 | C3 | 11.2° | 13.9° |
| N3 | C2 | N2 | H21 | 10.5° | 41.3° |
| N1 | C3 | H3 | H4 | 120.0° | 120.0° |
| N1 | C3 | H3 | H5 | 120.0° | 120.0° |
| N1 | C3 | H4 | H5 | 120.0° | 120.0° |
| H3 | C3 | H4 | H5 | 120.0° | 120.0° |
| H6 | C4 | C7 | H9 | 34.3° | 141.8° |
| H6 | C4 | C7 | H10 | 156.7° | 20.8° |
| H11 | C9 | C10 | H12 | 0.5° | 0.0° |
| H14 | C16 | C17 | H15 | 0.8° | 0.5° |
| H16 | C20 | C21 | H17 | 0.0° | 0.0° |
| H17 | C21 | C22 | H18 | 0.1° | 0.0° |
| H18 | C22 | C23 | H19 | 0.1° | 0.0° |
| H19 | C23 | C24 | H20 | 0.0° | 0.0° |
