34N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | S2 | sing | 1.76Å | 1.76Å | |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C11 | sing | 1.51Å | 1.53Å | |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | N14 | sing | 1.47Å | 1.46Å | |
| C15 | C17 | sing | 1.48Å | 1.48Å | |
| C15 | N14 | sing | 1.35Å | 1.35Å | |
| C15 | O16 | doub | 1.22Å | 1.22Å | |
| C17 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| C20 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | C23 | sing | 1.43Å | 1.43Å | |
| C20 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.37Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | F29 | sing | 1.35Å | 1.36Å | |
| C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.37Å | Aromatic |
| C31 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| S2 | O3 | doub | 1.42Å | 1.42Å | |
| S2 | O4 | doub | 1.42Å | 1.43Å | |
| S2 | C1 | sing | 1.81Å | 1.81Å | |
| C23 | N24 | trip | 1.14Å | 1.14Å | |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| N14 | HN14 | sing | 0.97Å | 1.00Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | C10 | 120.2° | 120.0° |
| C6 | C5 | S2 | 120.8° | 120.0° |
| C5 | C6 | C7 | 119.1° | 120.0° |
| C5 | C6 | H6 | 120.4° | 120.0° |
| C10 | C5 | S2 | 119.1° | 120.0° |
| C5 | C10 | C9 | 120.5° | 120.0° |
| C5 | C10 | H10 | 119.7° | 120.0° |
| C5 | S2 | O3 | 104.7° | 104.3° |
| C5 | S2 | O4 | 106.7° | 104.3° |
| C5 | S2 | C1 | 101.1° | 104.4° |
| C6 | C7 | C8 | 120.8° | 120.0° |
| C7 | C6 | H6 | 120.4° | 120.0° |
| C6 | C7 | H7 | 119.6° | 120.0° |
| C7 | C8 | C11 | 122.1° | 120.0° |
| C7 | C8 | C9 | 119.3° | 120.0° |
| C8 | C7 | H7 | 119.6° | 120.0° |
| C11 | C8 | C9 | 118.5° | 120.0° |
| C8 | C11 | C25 | 111.3° | 109.5° |
| C8 | C11 | C12 | 111.5° | 109.4° |
| C8 | C11 | H11 | 107.3° | 109.5° |
| C8 | C9 | C10 | 120.1° | 120.0° |
| C8 | C9 | H9 | 119.9° | 120.0° |
| C9 | C10 | H10 | 119.8° | 120.0° |
| C10 | C9 | H9 | 120.0° | 120.0° |
| C12 | C13 | N14 | 105.4° | 109.4° |
| C13 | C12 | C11 | 107.8° | 109.4° |
| C12 | C13 | H13 | 110.8° | 109.5° |
| C12 | C13 | H13A | 110.9° | 109.5° |
| C13 | C12 | H12 | 110.0° | 109.5° |
| C13 | C12 | H12A | 110.0° | 109.4° |
| C13 | N14 | C15 | 119.9° | 120.0° |
| N14 | C13 | H13 | 110.8° | 109.5° |
| N14 | C13 | H13A | 110.8° | 109.5° |
| C13 | N14 | HN14 | 120.0° | 120.0° |
| C17 | C15 | N14 | 118.6° | 120.0° |
| C17 | C15 | O16 | 120.5° | 120.0° |
| C15 | C17 | C22 | 119.7° | 120.0° |
| C15 | C17 | C18 | 120.1° | 120.0° |
| N14 | C15 | O16 | 121.0° | 120.0° |
| C15 | N14 | HN14 | 120.0° | 120.0° |
| C22 | C17 | C18 | 120.2° | 120.0° |
| C17 | C22 | C21 | 119.9° | 120.0° |
| C17 | C22 | H22 | 120.1° | 120.0° |
| C17 | C18 | C19 | 120.2° | 120.0° |
| C17 | C18 | H18 | 119.9° | 120.0° |
| C21 | C20 | C23 | 118.1° | 120.0° |
| C21 | C20 | C19 | 120.5° | 120.0° |
| C20 | C21 | C22 | 120.7° | 120.0° |
| C20 | C21 | H21 | 119.7° | 120.0° |
| C23 | C20 | C19 | 121.3° | 120.0° |
| C20 | C23 | N24 | 178.1° | 180.0° |
| C20 | C19 | C18 | 118.6° | 120.0° |
| C20 | C19 | H19 | 120.7° | 120.0° |
| C22 | C21 | H21 | 119.7° | 120.0° |
| C21 | C22 | H22 | 120.1° | 120.0° |
| C27 | C26 | C25 | 119.8° | 120.0° |
| C26 | C27 | C28 | 119.7° | 120.0° |
| C27 | C26 | H26 | 120.1° | 120.0° |
| C26 | C27 | H27 | 120.1° | 119.9° |
| C26 | C25 | C31 | 120.5° | 120.1° |
| C26 | C25 | C11 | 121.8° | 120.0° |
| C25 | C26 | H26 | 120.1° | 120.0° |
| F29 | C28 | C27 | 120.7° | 120.0° |
| F29 | C28 | C30 | 119.2° | 120.0° |
| C27 | C28 | C30 | 120.1° | 120.0° |
| C28 | C27 | H27 | 120.2° | 120.1° |
| C28 | C30 | C31 | 120.4° | 119.9° |
| C28 | C30 | H30 | 119.8° | 120.0° |
| C30 | C31 | C25 | 119.5° | 120.0° |
| C31 | C30 | H30 | 119.8° | 120.1° |
| C30 | C31 | H31 | 120.2° | 120.0° |
| C31 | C25 | C11 | 117.7° | 119.9° |
| C25 | C31 | H31 | 120.2° | 120.0° |
| C25 | C11 | C12 | 111.1° | 109.5° |
| C25 | C11 | H11 | 107.7° | 109.5° |
| C12 | C11 | H11 | 107.5° | 109.5° |
| C11 | C12 | H12 | 110.0° | 109.5° |
| C11 | C12 | H12A | 110.0° | 109.5° |
| O3 | S2 | O4 | 119.2° | 121.1° |
| O3 | S2 | C1 | 112.2° | 110.5° |
| O4 | S2 | C1 | 111.0° | 110.5° |
| S2 | C1 | H1 | 109.5° | 109.4° |
| S2 | C1 | H1A | 109.5° | 109.4° |
| S2 | C1 | H1B | 109.5° | 109.5° |
| C18 | C19 | H19 | 120.7° | 120.0° |
| C19 | C18 | H18 | 119.9° | 119.9° |
| H13 | C13 | H13A | 108.1° | 109.5° |
| H1 | C1 | H1A | 109.4° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H12 | C12 | H12A | 108.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | C10 | S2 | 179.6° | 179.6° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.4° | 0.1° |
| C6 | C5 | C10 | C9 | 0.2° | 0.0° |
| C6 | C5 | S2 | O3 | 147.8° | 153.9° |
| C6 | C5 | S2 | O4 | 20.6° | 26.0° |
| C6 | C5 | S2 | C1 | 95.5° | 90.0° |
| C5 | C6 | C7 | H7 | 179.5° | 179.9° |
| C6 | C5 | C10 | H10 | 179.8° | 179.9° |
| C10 | C5 | C6 | C7 | 0.1° | 0.1° |
| C5 | C10 | C9 | C8 | 0.6° | 0.1° |
| C5 | C10 | C9 | H10 | 180.0° | 179.9° |
| C10 | C5 | S2 | O3 | 32.6° | 25.7° |
| C10 | C5 | S2 | O4 | 159.8° | 153.6° |
| C10 | C5 | S2 | C1 | 84.1° | 90.3° |
| C10 | C5 | C6 | H6 | 179.9° | 180.0° |
| C5 | C10 | C9 | H9 | 179.4° | 179.9° |
| S2 | C5 | C6 | C7 | 179.7° | 179.7° |
| S2 | C5 | C10 | C9 | 179.8° | 179.6° |
| C5 | S2 | O3 | O4 | 119.1° | 116.8° |
| C5 | S2 | O3 | C1 | 108.7° | 111.7° |
| C5 | S2 | O4 | C1 | 109.2° | 111.7° |
| S2 | C5 | C6 | H6 | 0.3° | 0.4° |
| S2 | C5 | C10 | H10 | 0.2° | 0.3° |
| C5 | S2 | C1 | H1 | 180.0° | 60.0° |
| C5 | S2 | C1 | H1A | 60.0° | 180.0° |
| C5 | S2 | C1 | H1B | 60.0° | 60.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C11 | 178.9° | 180.0° |
| C6 | C7 | C8 | C9 | 0.9° | 0.0° |
| C7 | C8 | C11 | C9 | 178.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.9° | 0.1° |
| C7 | C8 | C11 | C25 | 133.2° | 112.0° |
| C7 | C8 | C11 | C12 | 8.4° | 128.1° |
| C8 | C7 | C6 | H6 | 179.6° | 180.0° |
| C7 | C8 | C11 | H11 | 109.1° | 8.1° |
| C7 | C8 | C9 | H9 | 179.1° | 179.9° |
| C11 | C8 | C9 | C10 | 179.0° | 179.8° |
| C8 | C11 | C12 | C13 | 178.7° | 175.0° |
| C8 | C11 | C25 | C26 | 60.5° | 67.7° |
| C8 | C11 | C25 | C31 | 118.2° | 112.3° |
| C8 | C11 | C25 | C12 | 125.0° | 119.9° |
| C8 | C11 | C25 | H11 | 117.4° | 120.1° |
| C8 | C11 | C12 | H11 | 117.4° | 120.0° |
| C11 | C8 | C7 | H7 | 1.1° | 0.1° |
| C11 | C8 | C9 | H9 | 1.0° | 0.0° |
| C8 | C11 | C12 | H12 | 61.3° | 65.0° |
| C8 | C11 | C12 | H12A | 58.7° | 55.1° |
| C8 | C9 | C10 | H9 | 180.0° | 179.8° |
| C9 | C8 | C11 | C25 | 48.8° | 68.0° |
| C9 | C8 | C11 | C12 | 173.5° | 52.0° |
| C9 | C8 | C7 | H7 | 179.1° | 179.9° |
| C8 | C9 | C10 | H10 | 179.4° | 180.0° |
| C9 | C8 | C11 | H11 | 68.9° | 172.0° |
| C12 | C13 | N14 | H13 | 120.0° | 120.0° |
| C12 | C13 | N14 | H13A | 120.0° | 120.0° |
| C12 | C13 | N14 | C15 | 94.2° | 180.0° |
| C13 | C12 | C11 | C25 | 56.4° | 65.0° |
| C13 | C12 | C11 | H12 | 120.0° | 120.0° |
| C13 | C12 | C11 | H12A | 120.0° | 119.9° |
| C12 | C13 | H13 | H13A | 121.7° | 120.0° |
| C13 | C12 | C11 | H11 | 61.3° | 55.0° |
| C13 | C12 | H12 | H12A | 120.7° | 120.0° |
| C12 | C13 | N14 | HN14 | 85.8° | 0.0° |
| C13 | N14 | C15 | C17 | 179.4° | 180.0° |
| C13 | N14 | C15 | HN14 | 180.0° | 179.9° |
| C13 | N14 | C15 | O16 | 0.0° | 0.1° |
| N14 | C13 | C12 | C11 | 162.8° | 180.0° |
| N14 | C13 | H13 | H13A | 121.6° | 120.0° |
| N14 | C13 | C12 | H12 | 77.1° | 60.0° |
| N14 | C13 | C12 | H12A | 42.9° | 60.0° |
| C17 | C15 | N14 | O16 | 179.5° | 179.9° |
| C15 | C17 | C22 | C18 | 179.5° | 179.8° |
| C15 | C17 | C22 | C21 | 180.0° | 180.0° |
| C15 | C17 | C18 | C19 | 179.7° | 180.0° |
| C15 | C17 | C22 | H22 | 0.0° | 0.1° |
| C17 | C15 | N14 | HN14 | 0.6° | 0.1° |
| C15 | C17 | C18 | H18 | 0.3° | 0.0° |
| N14 | C15 | C17 | C22 | 168.5° | 180.0° |
| N14 | C15 | C17 | C18 | 11.0° | 0.2° |
| C15 | N14 | C13 | H13 | 25.7° | 59.9° |
| C15 | N14 | C13 | H13A | 145.7° | 60.1° |
| O16 | C15 | C17 | C22 | 11.0° | 0.1° |
| O16 | C15 | C17 | C18 | 169.5° | 179.7° |
| O16 | C15 | N14 | HN14 | 179.9° | 180.0° |
| C17 | C22 | C21 | C20 | 0.1° | 0.0° |
| C17 | C22 | C21 | H22 | 180.0° | 180.0° |
| C22 | C17 | C18 | C19 | 0.2° | 0.3° |
| C17 | C22 | C21 | H21 | 179.9° | 179.7° |
| C22 | C17 | C18 | H18 | 179.8° | 179.8° |
| C17 | C18 | C19 | C20 | 0.5° | 0.0° |
| C18 | C17 | C22 | C21 | 0.5° | 0.3° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C18 | C17 | C22 | H22 | 179.5° | 179.7° |
| C17 | C18 | C19 | H19 | 179.6° | 179.7° |
| C21 | C20 | C23 | C19 | 178.6° | 179.7° |
| C20 | C21 | C22 | H21 | 180.0° | 179.7° |
| C21 | C20 | C23 | N24 | 178.3° | 45.7° |
| C21 | C20 | C19 | C18 | 0.8° | 0.3° |
| C20 | C21 | C22 | H22 | 179.9° | 180.0° |
| C21 | C20 | C19 | H19 | 179.2° | 179.9° |
| C23 | C20 | C21 | C22 | 179.2° | 180.0° |
| C23 | C20 | C19 | C18 | 179.4° | 180.0° |
| C23 | C20 | C21 | H21 | 0.9° | 0.3° |
| C23 | C20 | C19 | H19 | 0.6° | 0.4° |
| C19 | C20 | C21 | C22 | 0.5° | 0.3° |
| C19 | C20 | C23 | N24 | 3.1° | 134.0° |
| C20 | C19 | C18 | H19 | 180.0° | 179.6° |
| C19 | C20 | C21 | H21 | 179.5° | 180.0° |
| C20 | C19 | C18 | H18 | 179.5° | 179.9° |
| C27 | C26 | C25 | H26 | 180.0° | 179.7° |
| C26 | C27 | C28 | F29 | 180.0° | 180.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | C30 | 0.5° | 0.0° |
| C27 | C26 | C25 | C31 | 0.1° | 0.0° |
| C27 | C26 | C25 | C11 | 178.7° | 180.0° |
| C25 | C26 | C27 | C28 | 0.0° | 0.0° |
| C26 | C25 | C31 | C30 | 0.5° | 0.0° |
| C26 | C25 | C31 | C11 | 178.7° | 180.0° |
| C26 | C25 | C11 | C12 | 64.5° | 52.2° |
| C25 | C26 | C27 | H27 | 179.9° | 180.0° |
| C26 | C25 | C31 | H31 | 179.4° | 180.0° |
| C26 | C25 | C11 | H11 | 177.9° | 172.2° |
| F29 | C28 | C27 | C30 | 179.5° | 180.0° |
| F29 | C28 | C30 | C31 | 179.5° | 180.0° |
| F29 | C28 | C27 | H27 | 0.0° | 0.1° |
| F29 | C28 | C30 | H30 | 0.5° | 0.1° |
| C27 | C28 | C30 | C31 | 1.0° | 0.0° |
| C28 | C27 | C26 | H26 | 179.9° | 179.7° |
| C27 | C28 | C30 | H30 | 179.0° | 179.9° |
| C28 | C30 | C31 | H30 | 180.0° | 179.9° |
| C28 | C30 | C31 | C25 | 1.0° | 0.0° |
| C30 | C28 | C27 | H27 | 179.5° | 180.0° |
| C28 | C30 | C31 | H31 | 179.0° | 180.0° |
| C30 | C31 | C25 | H31 | 180.0° | 180.0° |
| C30 | C31 | C25 | C11 | 179.3° | 180.0° |
| C31 | C25 | C11 | C12 | 116.8° | 127.8° |
| C31 | C25 | C26 | H26 | 179.9° | 179.7° |
| C25 | C31 | C30 | H30 | 179.0° | 179.9° |
| C31 | C25 | C11 | H11 | 0.8° | 7.8° |
| C25 | C11 | C12 | H11 | 117.7° | 120.0° |
| C11 | C25 | C26 | H26 | 1.3° | 0.2° |
| C11 | C25 | C31 | H31 | 0.7° | 0.0° |
| C25 | C11 | C12 | H12 | 63.6° | 54.9° |
| C25 | C11 | C12 | H12A | 176.4° | 175.0° |
| C11 | C12 | C13 | H13 | 77.2° | 60.0° |
| C11 | C12 | C13 | H13A | 42.8° | 60.0° |
| C11 | C12 | H12 | H12A | 120.7° | 120.1° |
| O3 | S2 | O4 | C1 | 132.7° | 131.5° |
| O3 | S2 | C1 | H1 | 69.0° | 51.6° |
| O3 | S2 | C1 | H1A | 51.0° | 68.4° |
| O3 | S2 | C1 | H1B | 171.0° | 171.7° |
| O4 | S2 | C1 | H1 | 67.2° | 171.6° |
| O4 | S2 | C1 | H1A | 172.9° | 68.4° |
| O4 | S2 | C1 | H1B | 52.8° | 51.6° |
| S2 | C1 | H1 | H1A | 120.0° | 120.0° |
| S2 | C1 | H1 | H1B | 120.0° | 120.0° |
| S2 | C1 | H1A | H1B | 120.0° | 120.0° |
| H6 | C6 | C7 | H7 | 0.5° | 0.1° |
| H10 | C10 | C9 | H9 | 0.6° | 0.1° |
| H13 | C13 | C12 | H12 | 42.8° | 60.0° |
| H13 | C13 | C12 | H12A | 162.8° | 180.0° |
| H13 | C13 | N14 | HN14 | 154.2° | 120.0° |
| H13A | C13 | C12 | H12 | 162.9° | 180.0° |
| H13A | C13 | C12 | H12A | 77.1° | 60.0° |
| H13A | C13 | N14 | HN14 | 34.2° | 120.0° |
| H21 | C21 | C22 | H22 | 0.1° | 0.3° |
| H26 | C26 | C27 | H27 | 0.1° | 0.3° |
| H30 | C30 | C31 | H31 | 1.0° | 0.1° |
| H11 | C11 | C12 | H12 | 178.7° | 175.0° |
| H11 | C11 | C12 | H12A | 58.7° | 64.9° |
| H1 | C1 | H1A | H1B | 120.0° | 120.1° |
| H19 | C19 | C18 | H18 | 0.4° | 0.3° |
