ANH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N12 | C13 | sing | 1.47Å | 1.49Å | |
| N12 | C11 | sing | 1.35Å | 1.34Å | |
| N12 | H12 | sing | 0.97Å | 1.02Å | |
| C13 | C30 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.51Å | 1.60Å | |
| C13 | H13 | sing | 1.09Å | 1.12Å | |
| C30 | C21 | sing | 1.51Å | 1.53Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.09Å | 1.11Å | |
| C14 | O17 | doub | 1.21Å | 1.25Å | |
| C14 | O15 | sing | 1.34Å | 1.44Å | |
| O15 | C16 | sing | 1.45Å | 1.48Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C16 | H163 | sing | 1.09Å | 1.12Å | |
| C21 | C22 | doub | 1.38Å | 1.42Å | Aromatic |
| C21 | C26 | sing | 1.38Å | 1.45Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.42Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | doub | 1.38Å | 1.42Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C24 | C25 | sing | 1.39Å | 1.46Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | C26 | doub | 1.39Å | 1.45Å | Aromatic |
| C25 | C27 | sing | 1.48Å | 1.41Å | |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | N28 | sing | 1.38Å | 1.32Å | |
| C27 | N29 | doub | 1.30Å | 1.33Å | |
| N28 | H281 | sing | 0.97Å | 1.02Å | |
| N28 | H282 | sing | 0.97Å | 1.02Å | |
| N29 | H29 | sing | 0.97Å | 1.02Å | |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C11 | O20 | doub | 1.21Å | 1.23Å | |
| C10 | N9 | sing | 1.46Å | 1.48Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| N9 | S8 | sing | 1.66Å | 1.68Å | |
| N9 | HN9 | sing | 0.97Å | 1.02Å | |
| C1 | C2 | sing | 1.51Å | 1.48Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12A | sing | 1.09Å | 1.11Å | |
| C1 | H13A | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.38Å | 1.44Å | Aromatic |
| C2 | C7 | doub | 1.38Å | 1.42Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.44Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.38Å | 1.44Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.38Å | 1.42Å | Aromatic |
| C5 | S8 | sing | 1.76Å | 1.74Å | |
| C6 | C7 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| S8 | O18 | doub | 1.42Å | 1.59Å | |
| S8 | O19 | doub | 1.42Å | 1.57Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | N12 | C11 | 125.4° | 120.0° |
| C13 | N12 | H12 | 123.3° | 120.0° |
| N12 | C13 | C30 | 108.1° | 109.4° |
| N12 | C13 | C14 | 117.2° | 109.5° |
| N12 | C13 | H13 | 104.9° | 109.5° |
| C11 | N12 | H12 | 111.4° | 120.0° |
| N12 | C11 | C10 | 116.9° | 120.0° |
| N12 | C11 | O20 | 123.6° | 120.0° |
| C30 | C13 | C14 | 109.1° | 109.4° |
| C30 | C13 | H13 | 113.7° | 109.4° |
| C13 | C30 | C21 | 117.1° | 109.5° |
| C13 | C30 | H301 | 109.5° | 109.4° |
| C13 | C30 | H302 | 109.5° | 109.5° |
| C14 | C13 | H13 | 103.8° | 109.5° |
| C13 | C14 | O17 | 118.0° | 120.0° |
| C13 | C14 | O15 | 119.7° | 120.0° |
| C21 | C30 | H301 | 109.4° | 109.5° |
| C21 | C30 | H302 | 109.4° | 109.5° |
| C30 | C21 | C22 | 118.4° | 120.0° |
| C30 | C21 | C26 | 122.0° | 120.0° |
| H301 | C30 | H302 | 100.7° | 109.5° |
| O17 | C14 | O15 | 122.4° | 120.0° |
| C14 | O15 | C16 | 126.8° | 120.0° |
| O15 | C16 | H161 | 126.8° | 109.5° |
| O15 | C16 | H162 | 106.1° | 109.4° |
| O15 | C16 | H163 | 106.1° | 109.5° |
| H161 | C16 | H162 | 106.1° | 109.5° |
| H161 | C16 | H163 | 106.1° | 109.5° |
| H162 | C16 | H163 | 103.3° | 109.4° |
| C22 | C21 | C26 | 119.7° | 120.1° |
| C21 | C22 | C23 | 121.0° | 120.3° |
| C21 | C22 | H22 | 119.5° | 119.8° |
| C21 | C26 | C25 | 121.1° | 119.9° |
| C21 | C26 | H26 | 119.5° | 120.1° |
| C23 | C22 | H22 | 119.5° | 119.8° |
| C22 | C23 | C24 | 119.7° | 120.1° |
| C22 | C23 | H23 | 120.2° | 120.0° |
| C24 | C23 | H23 | 120.1° | 119.9° |
| C23 | C24 | C25 | 122.2° | 119.8° |
| C23 | C24 | H24 | 117.4° | 120.1° |
| C25 | C24 | H24 | 120.4° | 120.1° |
| C24 | C25 | C26 | 116.5° | 119.8° |
| C24 | C25 | C27 | 120.7° | 120.1° |
| C26 | C25 | C27 | 122.8° | 120.2° |
| C25 | C26 | H26 | 119.4° | 120.0° |
| C25 | C27 | N28 | 125.4° | 120.0° |
| C25 | C27 | N29 | 124.0° | 120.0° |
| N28 | C27 | N29 | 110.6° | 120.0° |
| C27 | N28 | H281 | 125.4° | 119.9° |
| C27 | N28 | H282 | 106.6° | 120.0° |
| C27 | N29 | H29 | 117.8° | 120.0° |
| H281 | N28 | H282 | 106.6° | 120.1° |
| C10 | C11 | O20 | 119.4° | 120.0° |
| C11 | C10 | N9 | 113.8° | 109.5° |
| C11 | C10 | H101 | 110.7° | 109.5° |
| C11 | C10 | H102 | 110.6° | 109.4° |
| N9 | C10 | H101 | 110.6° | 109.5° |
| N9 | C10 | H102 | 110.6° | 109.5° |
| C10 | N9 | S8 | 119.4° | 120.0° |
| C10 | N9 | HN9 | 108.6° | 120.1° |
| H101 | C10 | H102 | 99.6° | 109.5° |
| S8 | N9 | HN9 | 108.7° | 119.9° |
| N9 | S8 | C5 | 108.7° | 107.4° |
| N9 | S8 | O18 | 106.0° | 105.8° |
| N9 | S8 | O19 | 102.5° | 105.7° |
| C2 | C1 | H11 | 121.8° | 109.5° |
| C2 | C1 | H12A | 107.8° | 109.5° |
| C2 | C1 | H13A | 107.8° | 109.5° |
| C1 | C2 | C3 | 121.8° | 120.0° |
| C1 | C2 | C7 | 117.7° | 120.0° |
| H11 | C1 | H12A | 107.8° | 109.4° |
| H11 | C1 | H13A | 107.8° | 109.5° |
| H12A | C1 | H13A | 102.0° | 109.4° |
| C3 | C2 | C7 | 120.4° | 120.0° |
| C2 | C3 | C4 | 119.7° | 120.0° |
| C2 | C3 | H3 | 120.2° | 120.0° |
| C2 | C7 | C6 | 120.6° | 120.0° |
| C2 | C7 | H7 | 120.4° | 120.0° |
| C4 | C3 | H3 | 120.1° | 120.0° |
| C3 | C4 | C5 | 118.2° | 120.0° |
| C3 | C4 | H4 | 120.8° | 120.0° |
| C5 | C4 | H4 | 121.1° | 120.0° |
| C4 | C5 | C6 | 121.7° | 120.0° |
| C4 | C5 | S8 | 121.1° | 119.9° |
| C6 | C5 | S8 | 117.2° | 120.0° |
| C5 | C6 | C7 | 119.4° | 120.0° |
| C5 | C6 | H6 | 120.8° | 120.0° |
| C5 | S8 | O18 | 113.9° | 105.8° |
| C5 | S8 | O19 | 109.6° | 105.7° |
| C7 | C6 | H6 | 119.8° | 120.0° |
| C6 | C7 | H7 | 119.0° | 120.0° |
| O18 | S8 | O19 | 115.2° | 125.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | N12 | C11 | H12 | 179.9° | 180.0° |
| N12 | C13 | C30 | C14 | 128.6° | 120.0° |
| N12 | C13 | C30 | H13 | 116.1° | 120.0° |
| N12 | C13 | C14 | H13 | 115.1° | 120.1° |
| N12 | C13 | C30 | C21 | 68.1° | 60.0° |
| N12 | C13 | C30 | H301 | 57.1° | 60.0° |
| N12 | C13 | C30 | H302 | 166.6° | 180.0° |
| N12 | C13 | C14 | O17 | 132.8° | 150.0° |
| N12 | C13 | C14 | O15 | 47.2° | 29.9° |
| C13 | N12 | C11 | C10 | 170.7° | 180.0° |
| C13 | N12 | C11 | O20 | 10.1° | 0.1° |
| C11 | N12 | C13 | C30 | 179.2° | 150.0° |
| C11 | N12 | C13 | C14 | 57.0° | 90.0° |
| C11 | N12 | C13 | H13 | 57.5° | 30.1° |
| N12 | C11 | C10 | O20 | 179.3° | 180.0° |
| N12 | C11 | C10 | N9 | 154.9° | 179.9° |
| N12 | C11 | C10 | H101 | 79.8° | 60.0° |
| N12 | C11 | C10 | H102 | 29.6° | 60.0° |
| H12 | N12 | C13 | C30 | 0.7° | 30.0° |
| H12 | N12 | C13 | C14 | 123.1° | 89.9° |
| H12 | N12 | C13 | H13 | 122.4° | 149.9° |
| H12 | N12 | C11 | C10 | 9.4° | 0.0° |
| H12 | N12 | C11 | O20 | 169.9° | 180.0° |
| C30 | C13 | C14 | H13 | 121.6° | 119.9° |
| C13 | C30 | C21 | H301 | 125.2° | 120.0° |
| C13 | C30 | C21 | H302 | 125.3° | 120.0° |
| C13 | C30 | H301 | H302 | 115.3° | 120.0° |
| C30 | C13 | C14 | O17 | 103.9° | 90.0° |
| C30 | C13 | C14 | O15 | 76.1° | 90.0° |
| C13 | C30 | C21 | C22 | 142.7° | 90.0° |
| C13 | C30 | C21 | C26 | 37.6° | 90.3° |
| C14 | C13 | C30 | C21 | 163.3° | 180.0° |
| C14 | C13 | C30 | H301 | 71.5° | 60.0° |
| C14 | C13 | C30 | H302 | 38.0° | 60.0° |
| C13 | C14 | O17 | O15 | 180.0° | 180.0° |
| C13 | C14 | O15 | C16 | 0.1° | 180.0° |
| H13 | C13 | C30 | C21 | 47.9° | 60.0° |
| H13 | C13 | C30 | H301 | 173.1° | 180.0° |
| H13 | C13 | C30 | H302 | 77.3° | 60.0° |
| H13 | C13 | C14 | O17 | 17.7° | 29.9° |
| H13 | C13 | C14 | O15 | 162.3° | 150.0° |
| C21 | C30 | H301 | H302 | 115.2° | 120.0° |
| C30 | C21 | C22 | C26 | 179.7° | 179.7° |
| C30 | C21 | C22 | C23 | 179.7° | 180.0° |
| C30 | C21 | C22 | H22 | 0.3° | 0.0° |
| C30 | C21 | C26 | C25 | 179.8° | 179.7° |
| C30 | C21 | C26 | H26 | 0.2° | 0.3° |
| H301 | C30 | C21 | C22 | 17.5° | 30.0° |
| H301 | C30 | C21 | C26 | 162.8° | 149.8° |
| H302 | C30 | C21 | C22 | 92.0° | 150.0° |
| H302 | C30 | C21 | C26 | 87.7° | 29.7° |
| O17 | C14 | O15 | C16 | 179.9° | 0.0° |
| C14 | O15 | C16 | H161 | 180.0° | 180.0° |
| C14 | O15 | C16 | H162 | 54.7° | 60.0° |
| C14 | O15 | C16 | H163 | 54.7° | 60.0° |
| O15 | C16 | H161 | H162 | 125.3° | 120.0° |
| O15 | C16 | H161 | H163 | 125.3° | 120.0° |
| O15 | C16 | H162 | H163 | 111.5° | 120.0° |
| H161 | C16 | H162 | H163 | 111.4° | 120.1° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.0° | 0.0° |
| C21 | C22 | C23 | H23 | 180.0° | 180.0° |
| C22 | C21 | C26 | C25 | 0.1° | 0.5° |
| C22 | C21 | C26 | H26 | 179.9° | 180.0° |
| C26 | C21 | C22 | C23 | 0.0° | 0.3° |
| C26 | C21 | C22 | H22 | 180.0° | 179.8° |
| C21 | C26 | C25 | C24 | 0.1° | 0.5° |
| C21 | C26 | C25 | H26 | 180.0° | 179.4° |
| C21 | C26 | C25 | C27 | 180.0° | 179.7° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.1° | 0.1° |
| C22 | C23 | C24 | H24 | 179.8° | 180.0° |
| H22 | C22 | C23 | C24 | 180.0° | 179.9° |
| H22 | C22 | C23 | H23 | 0.0° | 0.0° |
| C23 | C24 | C25 | H24 | 179.9° | 180.0° |
| C23 | C24 | C25 | C26 | 0.1° | 0.2° |
| C23 | C24 | C25 | C27 | 180.0° | 180.0° |
| H23 | C23 | C24 | C25 | 179.9° | 180.0° |
| H23 | C23 | C24 | H24 | 0.2° | 0.0° |
| C24 | C25 | C26 | C27 | 179.8° | 179.8° |
| C24 | C25 | C26 | H26 | 179.9° | 180.0° |
| C24 | C25 | C27 | N28 | 151.9° | 0.1° |
| C24 | C25 | C27 | N29 | 28.1° | 180.0° |
| H24 | C24 | C25 | C26 | 179.8° | 179.7° |
| H24 | C24 | C25 | C27 | 0.0° | 0.1° |
| C26 | C25 | C27 | N28 | 28.3° | 179.8° |
| C26 | C25 | C27 | N29 | 151.7° | 0.2° |
| C27 | C25 | C26 | H26 | 0.0° | 0.2° |
| C25 | C27 | N28 | N29 | 180.0° | 180.0° |
| C25 | C27 | N28 | H281 | 179.9° | 180.0° |
| C25 | C27 | N28 | H282 | 54.8° | 0.0° |
| C25 | C27 | N29 | H29 | 97.0° | 180.0° |
| C27 | N28 | H281 | H282 | 125.2° | 180.0° |
| N28 | C27 | N29 | H29 | 83.0° | 0.1° |
| N29 | C27 | N28 | H281 | 0.1° | 0.0° |
| N29 | C27 | N28 | H282 | 125.2° | 180.0° |
| C11 | C10 | N9 | H101 | 125.3° | 120.0° |
| C11 | C10 | N9 | H102 | 125.3° | 120.0° |
| C11 | C10 | H101 | H102 | 116.5° | 120.0° |
| C11 | C10 | N9 | S8 | 116.4° | 180.0° |
| C11 | C10 | N9 | HN9 | 8.9° | 0.0° |
| O20 | C11 | C10 | N9 | 24.4° | 0.0° |
| O20 | C11 | C10 | H101 | 100.9° | 120.0° |
| O20 | C11 | C10 | H102 | 149.7° | 120.0° |
| N9 | C10 | H101 | H102 | 116.5° | 120.0° |
| C10 | N9 | S8 | HN9 | 125.3° | 180.0° |
| C10 | N9 | S8 | C5 | 47.9° | 60.0° |
| C10 | N9 | S8 | O18 | 170.7° | 172.6° |
| C10 | N9 | S8 | O19 | 68.1° | 52.6° |
| H101 | C10 | N9 | S8 | 8.9° | 60.0° |
| H101 | C10 | N9 | HN9 | 134.2° | 120.0° |
| H102 | C10 | N9 | S8 | 118.4° | 60.1° |
| H102 | C10 | N9 | HN9 | 116.3° | 120.0° |
| N9 | S8 | C5 | C4 | 68.8° | 90.0° |
| N9 | S8 | C5 | C6 | 110.8° | 90.3° |
| N9 | S8 | C5 | O18 | 117.9° | 112.7° |
| N9 | S8 | C5 | O19 | 111.3° | 112.6° |
| N9 | S8 | O18 | O19 | 112.6° | 123.2° |
| HN9 | N9 | S8 | C5 | 173.2° | 120.0° |
| HN9 | N9 | S8 | O18 | 64.0° | 7.4° |
| HN9 | N9 | S8 | O19 | 57.2° | 127.4° |
| C2 | C1 | H11 | H12A | 125.2° | 120.0° |
| C2 | C1 | H11 | H13A | 125.3° | 120.1° |
| C2 | C1 | H12A | H13A | 113.3° | 120.0° |
| C1 | C2 | C3 | C7 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 179.8° | 179.9° |
| C1 | C2 | C3 | H3 | 0.2° | 0.1° |
| C1 | C2 | C7 | C6 | 179.9° | 179.8° |
| C1 | C2 | C7 | H7 | 0.1° | 0.0° |
| H11 | C1 | H12A | H13A | 113.4° | 119.9° |
| H11 | C1 | C2 | C3 | 180.0° | 90.0° |
| H11 | C1 | C2 | C7 | 0.0° | 89.9° |
| H12A | C1 | C2 | C3 | 54.7° | 150.1° |
| H12A | C1 | C2 | C7 | 125.3° | 30.0° |
| H13A | C1 | C2 | C3 | 54.7° | 30.1° |
| H13A | C1 | C2 | C7 | 125.3° | 150.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C2 | C3 | C4 | H4 | 179.8° | 180.0° |
| C3 | C2 | C7 | C6 | 0.1° | 0.1° |
| C3 | C2 | C7 | H7 | 179.9° | 179.9° |
| C7 | C2 | C3 | C4 | 0.2° | 0.1° |
| C7 | C2 | C3 | H3 | 179.8° | 180.0° |
| C2 | C7 | C6 | C5 | 0.1° | 0.4° |
| C2 | C7 | C6 | H7 | 180.0° | 179.8° |
| C2 | C7 | C6 | H6 | 179.9° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.0° | 0.3° |
| C3 | C4 | C5 | S8 | 179.6° | 180.0° |
| H3 | C3 | C4 | C5 | 179.8° | 179.9° |
| H3 | C3 | C4 | H4 | 0.2° | 0.1° |
| C4 | C5 | C6 | S8 | 179.6° | 179.7° |
| C4 | C5 | C6 | C7 | 0.1° | 0.5° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C4 | C5 | S8 | O18 | 49.1° | 22.6° |
| C4 | C5 | S8 | O19 | 179.9° | 157.4° |
| H4 | C4 | C5 | C6 | 180.0° | 179.7° |
| H4 | C4 | C5 | S8 | 0.4° | 0.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.5° |
| C5 | C6 | C7 | H7 | 179.9° | 179.8° |
| C6 | C5 | S8 | O18 | 131.3° | 157.1° |
| C6 | C5 | S8 | O19 | 0.5° | 22.3° |
| S8 | C5 | C6 | C7 | 179.5° | 179.8° |
| S8 | C5 | C6 | H6 | 0.5° | 0.3° |
| C5 | S8 | O18 | O19 | 127.9° | 123.1° |
| H6 | C6 | C7 | H7 | 0.1° | 0.2° |
