S5N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C9 | doub | 1.22Å | 1.23Å | |
| C11 | N2 | sing | 1.46Å | 1.46Å | |
| C9 | N2 | sing | 1.34Å | 1.40Å | |
| C9 | C8 | sing | 1.41Å | 1.41Å | |
| N2 | C4 | sing | 1.38Å | 1.41Å | |
| C8 | C7 | doub | 1.36Å | 1.35Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C5 | sing | 1.46Å | 1.45Å | |
| C7 | C10 | sing | 1.51Å | 1.49Å | |
| C5 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C1 | sing | 1.37Å | 1.39Å | Aromatic |
| C1 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | N1 | sing | 1.46Å | 1.47Å | |
| N1 | S1 | sing | 1.66Å | 1.61Å | |
| O2 | S1 | doub | 1.42Å | 1.43Å | |
| S1 | C13 | sing | 1.76Å | 1.75Å | |
| S1 | O1 | doub | 1.42Å | 1.44Å | |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C11 | H11C | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C10 | H10C | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C9 | N2 | 119.4° | 119.1° |
| O3 | C9 | C8 | 125.1° | 119.2° |
| C11 | N2 | C9 | 117.8° | 119.6° |
| C11 | N2 | C4 | 119.8° | 119.5° |
| N2 | C11 | H11A | 109.5° | 109.4° |
| N2 | C11 | H11B | 109.5° | 109.5° |
| N2 | C11 | H11C | 109.5° | 109.5° |
| N2 | C9 | C8 | 115.5° | 121.7° |
| C9 | N2 | C4 | 122.4° | 120.9° |
| C9 | C8 | C7 | 125.2° | 120.2° |
| C9 | C8 | H8 | 117.4° | 119.9° |
| N2 | C4 | C3 | 120.6° | 121.0° |
| N2 | C4 | C5 | 120.0° | 119.6° |
| C8 | C7 | C5 | 118.4° | 118.5° |
| C8 | C7 | C10 | 121.1° | 120.7° |
| C7 | C8 | H8 | 117.4° | 119.9° |
| C3 | C4 | C5 | 119.4° | 119.4° |
| C4 | C3 | C2 | 120.4° | 119.8° |
| C4 | C3 | H3 | 119.8° | 120.1° |
| C4 | C5 | C7 | 118.4° | 119.0° |
| C4 | C5 | C6 | 119.0° | 119.8° |
| C3 | C2 | C1 | 121.1° | 120.7° |
| C3 | C2 | H2 | 119.5° | 119.6° |
| C2 | C3 | H3 | 119.8° | 120.1° |
| C5 | C7 | C10 | 120.4° | 120.7° |
| C7 | C5 | C6 | 122.6° | 121.2° |
| C7 | C10 | H10A | 109.5° | 109.5° |
| C7 | C10 | H10B | 109.5° | 109.5° |
| C7 | C10 | H10C | 109.5° | 109.5° |
| C5 | C6 | C1 | 121.5° | 119.7° |
| C5 | C6 | H6 | 119.2° | 120.1° |
| C2 | C1 | C6 | 118.6° | 120.6° |
| C2 | C1 | C12 | 120.8° | 119.7° |
| C1 | C2 | H2 | 119.4° | 119.6° |
| C6 | C1 | C12 | 120.5° | 119.7° |
| C1 | C6 | H6 | 119.3° | 120.1° |
| C1 | C12 | N1 | 112.1° | 109.5° |
| C1 | C12 | H12B | 108.8° | 109.4° |
| C1 | C12 | H12A | 108.8° | 109.5° |
| C12 | N1 | S1 | 120.3° | 120.0° |
| N1 | C12 | H12B | 108.8° | 109.5° |
| N1 | C12 | H12A | 108.8° | 109.5° |
| C12 | N1 | H1 | 106.7° | 120.0° |
| N1 | S1 | O2 | 106.8° | 106.4° |
| N1 | S1 | C13 | 107.6° | 107.2° |
| N1 | S1 | O1 | 106.7° | 106.4° |
| S1 | N1 | H1 | 106.7° | 120.0° |
| O2 | S1 | C13 | 108.0° | 106.4° |
| O2 | S1 | O1 | 119.5° | 123.2° |
| C13 | S1 | O1 | 107.8° | 106.4° |
| S1 | C13 | C14 | 119.9° | 120.0° |
| S1 | C13 | C18 | 119.2° | 120.0° |
| C14 | C13 | C18 | 120.9° | 120.0° |
| C13 | C14 | C15 | 119.3° | 120.0° |
| C13 | C14 | H14 | 120.4° | 120.0° |
| C13 | C18 | C17 | 118.9° | 120.0° |
| C13 | C18 | H18 | 120.6° | 120.0° |
| C14 | C15 | C16 | 120.4° | 120.0° |
| C15 | C14 | H14 | 120.4° | 120.0° |
| C14 | C15 | H15 | 119.8° | 120.0° |
| C18 | C17 | C16 | 120.6° | 120.0° |
| C18 | C17 | H17 | 119.7° | 120.1° |
| C17 | C18 | H18 | 120.6° | 120.0° |
| C15 | C16 | C17 | 120.0° | 120.0° |
| C16 | C15 | H15 | 119.8° | 120.0° |
| C15 | C16 | H16 | 120.0° | 120.0° |
| C17 | C16 | H16 | 120.0° | 120.0° |
| C16 | C17 | H17 | 119.7° | 120.0° |
| H11A | C11 | H11B | 109.5° | 109.5° |
| H11A | C11 | H11C | 109.4° | 109.4° |
| H11B | C11 | H11C | 109.5° | 109.5° |
| H10A | C10 | H10B | 109.4° | 109.5° |
| H10A | C10 | H10C | 109.4° | 109.4° |
| H10B | C10 | H10C | 109.5° | 109.5° |
| H12B | C12 | H12A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C9 | N2 | C11 | 1.7° | 0.0° |
| O3 | C9 | N2 | C8 | 179.8° | 179.9° |
| O3 | C9 | N2 | C4 | 179.6° | 180.0° |
| O3 | C9 | C8 | C7 | 179.7° | 179.9° |
| O3 | C9 | C8 | H8 | 0.4° | 0.0° |
| C11 | N2 | C9 | C4 | 178.7° | 179.9° |
| C11 | N2 | C9 | C8 | 178.1° | 180.0° |
| C11 | N2 | C4 | C3 | 5.4° | 0.0° |
| C11 | N2 | C4 | C5 | 177.1° | 180.0° |
| N2 | C11 | H11A | H11B | 120.0° | 120.0° |
| N2 | C11 | H11A | H11C | 120.0° | 120.0° |
| N2 | C11 | H11B | H11C | 120.0° | 120.0° |
| N2 | C9 | C8 | C7 | 0.1° | 0.0° |
| C9 | N2 | C4 | C3 | 175.9° | 180.0° |
| C9 | N2 | C4 | C5 | 1.6° | 0.1° |
| N2 | C9 | C8 | H8 | 179.9° | 179.9° |
| C9 | N2 | C11 | H11A | 180.0° | 0.0° |
| C9 | N2 | C11 | H11B | 60.0° | 120.0° |
| C9 | N2 | C11 | H11C | 60.0° | 120.0° |
| C8 | C9 | N2 | C4 | 0.6° | 0.1° |
| C9 | C8 | C7 | H8 | 180.0° | 179.9° |
| C9 | C8 | C7 | C5 | 0.2° | 0.0° |
| C9 | C8 | C7 | C10 | 176.3° | 180.0° |
| N2 | C4 | C3 | C5 | 177.5° | 179.9° |
| N2 | C4 | C3 | C2 | 177.8° | 180.0° |
| N2 | C4 | C5 | C7 | 1.8° | 0.0° |
| N2 | C4 | C5 | C6 | 179.7° | 179.8° |
| N2 | C4 | C3 | H3 | 2.2° | 0.0° |
| C4 | N2 | C11 | H11A | 1.2° | 179.9° |
| C4 | N2 | C11 | H11B | 121.3° | 60.1° |
| C4 | N2 | C11 | H11C | 118.7° | 60.0° |
| C8 | C7 | C5 | C4 | 1.1° | 0.0° |
| C8 | C7 | C5 | C10 | 176.5° | 179.9° |
| C8 | C7 | C5 | C6 | 178.9° | 179.7° |
| C8 | C7 | C10 | H10A | 180.0° | 90.1° |
| C8 | C7 | C10 | H10B | 60.0° | 29.9° |
| C8 | C7 | C10 | H10C | 60.0° | 150.0° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | C7 | 175.7° | 180.0° |
| C3 | C4 | C5 | C6 | 2.1° | 0.3° |
| C4 | C3 | C2 | C1 | 1.6° | 0.0° |
| C4 | C3 | C2 | H2 | 178.4° | 180.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.0° |
| C4 | C5 | C7 | C6 | 177.8° | 179.8° |
| C4 | C5 | C7 | C10 | 175.4° | 179.9° |
| C4 | C5 | C6 | C1 | 2.3° | 0.5° |
| C5 | C4 | C3 | H3 | 179.7° | 180.0° |
| C4 | C5 | C6 | H6 | 177.7° | 179.9° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 1.4° | 0.3° |
| C3 | C2 | C1 | C12 | 178.3° | 179.9° |
| C7 | C5 | C6 | C1 | 175.4° | 179.8° |
| C7 | C5 | C6 | H6 | 4.5° | 0.2° |
| C5 | C7 | C8 | H8 | 179.9° | 180.0° |
| C5 | C7 | C10 | H10A | 3.6° | 90.0° |
| C5 | C7 | C10 | H10B | 123.6° | 150.0° |
| C5 | C7 | C10 | H10C | 116.4° | 29.9° |
| C10 | C7 | C5 | C6 | 2.4° | 0.2° |
| C10 | C7 | C8 | H8 | 3.6° | 0.1° |
| C7 | C10 | H10A | H10B | 120.0° | 120.0° |
| C7 | C10 | H10A | H10C | 120.0° | 119.9° |
| C7 | C10 | H10B | H10C | 120.0° | 120.0° |
| C5 | C6 | C1 | C2 | 0.6° | 0.5° |
| C5 | C6 | C1 | H6 | 180.0° | 179.6° |
| C5 | C6 | C1 | C12 | 179.7° | 179.7° |
| C2 | C1 | C6 | C12 | 179.7° | 179.8° |
| C2 | C1 | C12 | N1 | 123.8° | 90.0° |
| C1 | C2 | C3 | H3 | 178.5° | 180.0° |
| C2 | C1 | C6 | H6 | 179.4° | 179.9° |
| C2 | C1 | C12 | H12B | 3.4° | 150.0° |
| C2 | C1 | C12 | H12A | 115.8° | 30.0° |
| C6 | C1 | C12 | N1 | 56.5° | 90.2° |
| C6 | C1 | C2 | H2 | 178.6° | 179.8° |
| C6 | C1 | C12 | H12B | 176.9° | 29.8° |
| C6 | C1 | C12 | H12A | 63.9° | 149.8° |
| C1 | C12 | N1 | H12B | 120.4° | 120.0° |
| C1 | C12 | N1 | H12A | 120.4° | 120.0° |
| C1 | C12 | N1 | S1 | 65.2° | 165.0° |
| C12 | C1 | C2 | H2 | 1.7° | 0.0° |
| C12 | C1 | C6 | H6 | 0.3° | 0.1° |
| C1 | C12 | H12B | H12A | 118.8° | 120.0° |
| C1 | C12 | N1 | H1 | 173.3° | 15.0° |
| C12 | N1 | S1 | H1 | 121.5° | 180.0° |
| C12 | N1 | S1 | O2 | 23.2° | 178.5° |
| C12 | N1 | S1 | C13 | 92.5° | 65.0° |
| C12 | N1 | S1 | O1 | 152.1° | 48.5° |
| N1 | C12 | H12B | H12A | 118.8° | 120.0° |
| N1 | S1 | O2 | C13 | 115.4° | 114.1° |
| N1 | S1 | O2 | O1 | 121.1° | 123.0° |
| N1 | S1 | C13 | O1 | 114.8° | 113.5° |
| N1 | S1 | C13 | C14 | 52.0° | 90.0° |
| N1 | S1 | C13 | C18 | 127.3° | 90.3° |
| S1 | N1 | C12 | H12B | 55.2° | 45.0° |
| S1 | N1 | C12 | H12A | 174.4° | 75.0° |
| O2 | S1 | C13 | O1 | 130.4° | 132.9° |
| O2 | S1 | C13 | C14 | 166.8° | 23.5° |
| O2 | S1 | C13 | C18 | 12.5° | 156.2° |
| O2 | S1 | N1 | H1 | 98.3° | 1.5° |
| S1 | C13 | C14 | C18 | 179.3° | 179.7° |
| S1 | C13 | C14 | C15 | 178.3° | 179.7° |
| S1 | C13 | C18 | C17 | 178.8° | 179.6° |
| S1 | C13 | C14 | H14 | 1.7° | 0.3° |
| S1 | C13 | C18 | H18 | 1.2° | 0.3° |
| C13 | S1 | N1 | H1 | 146.0° | 115.0° |
| O1 | S1 | C13 | C14 | 62.8° | 156.4° |
| O1 | S1 | C13 | C18 | 117.9° | 23.3° |
| O1 | S1 | N1 | H1 | 30.6° | 131.5° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C14 | C13 | C18 | C17 | 0.5° | 0.1° |
| C13 | C14 | C15 | C16 | 0.6° | 0.0° |
| C13 | C14 | C15 | H15 | 179.4° | 179.9° |
| C14 | C13 | C18 | H18 | 179.5° | 180.0° |
| C18 | C13 | C14 | C15 | 1.0° | 0.0° |
| C13 | C18 | C17 | H18 | 180.0° | 179.9° |
| C13 | C18 | C17 | C16 | 0.2° | 0.2° |
| C18 | C13 | C14 | H14 | 179.0° | 180.0° |
| C13 | C18 | C17 | H17 | 179.8° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.1° | 0.1° |
| C14 | C15 | C16 | H16 | 179.9° | 180.0° |
| C18 | C17 | C16 | C15 | 0.5° | 0.2° |
| C18 | C17 | C16 | H17 | 180.0° | 179.8° |
| C18 | C17 | C16 | H16 | 179.5° | 179.9° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C16 | C15 | C14 | H14 | 179.4° | 180.0° |
| C15 | C16 | C17 | H17 | 179.5° | 180.0° |
| C17 | C16 | C15 | H15 | 179.9° | 180.0° |
| C16 | C17 | C18 | H18 | 179.8° | 179.9° |
| H2 | C2 | C3 | H3 | 1.5° | 0.0° |
| H11A | C11 | H11B | H11C | 120.0° | 120.0° |
| H10A | C10 | H10B | H10C | 119.9° | 120.0° |
| H12B | C12 | N1 | H1 | 66.3° | 135.0° |
| H12A | C12 | N1 | H1 | 52.9° | 105.0° |
| H14 | C14 | C15 | H15 | 0.6° | 0.1° |
| H15 | C15 | C16 | H16 | 0.1° | 0.1° |
| H16 | C16 | C17 | H17 | 0.5° | 0.1° |
| H17 | C17 | C18 | H18 | 0.2° | 0.1° |
