N4I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.54Å | 1.53Å | |
| C1 | C5 | sing | 1.54Å | 1.52Å | |
| C1 | N6 | sing | 1.47Å | 1.45Å | |
| C2 | C3 | sing | 1.54Å | 1.54Å | |
| C2 | N21 | sing | 1.46Å | 1.47Å | |
| C3 | N4 | sing | 1.49Å | 1.47Å | |
| C4 | C26 | sing | 1.48Å | 1.51Å | |
| C4 | C32 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | C34 | sing | 1.40Å | 1.39Å | Aromatic |
| N4 | C5 | sing | 1.49Å | 1.46Å | |
| C6 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| N6 | C7 | sing | 1.47Å | 1.46Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | O10 | sing | 1.36Å | 1.36Å | |
| C9 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C16 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | F18 | sing | 1.40Å | 1.32Å | |
| C17 | F19 | sing | 1.40Å | 1.31Å | |
| C17 | F20 | sing | 1.40Å | 1.31Å | |
| N21 | C22 | sing | 1.47Å | 1.47Å | |
| N21 | S27 | sing | 1.66Å | 1.56Å | |
| C22 | C23 | sing | 1.51Å | 1.52Å | |
| C23 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | N28 | sing | 1.35Å | 1.33Å | |
| C26 | O33 | doub | 1.22Å | 1.23Å | |
| S27 | O28 | doub | 1.42Å | 1.43Å | |
| S27 | O29 | doub | 1.42Å | 1.41Å | |
| S27 | C30 | sing | 1.76Å | 1.63Å | |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| N4 | HN4 | sing | 1.01Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N6 | HN6 | sing | 1.01Å | 1.00Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| O10 | HO10 | sing | 0.97Å | 0.95Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| N28 | HN28 | sing | 0.97Å | 1.00Å | |
| N28 | HN2A | sing | 0.97Å | 1.00Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C5 | 107.2° | 105.1° |
| C2 | C1 | N6 | 108.6° | 110.3° |
| C1 | C2 | C3 | 105.0° | 105.0° |
| C1 | C2 | N21 | 114.7° | 110.3° |
| C2 | C1 | H1 | 111.1° | 110.3° |
| C1 | C2 | H2 | 107.7° | 110.3° |
| C5 | C1 | N6 | 108.1° | 110.3° |
| C1 | C5 | N4 | 102.3° | 104.6° |
| C5 | C1 | H1 | 111.5° | 110.3° |
| C1 | C5 | H5 | 111.9° | 110.4° |
| C1 | C5 | H5A | 111.9° | 110.4° |
| C1 | N6 | C7 | 119.3° | 111.0° |
| N6 | C1 | H1 | 110.2° | 110.4° |
| C1 | N6 | HN6 | 106.3° | 111.0° |
| C3 | C2 | N21 | 104.8° | 110.4° |
| C2 | C3 | N4 | 105.2° | 104.6° |
| C3 | C2 | H2 | 117.1° | 110.3° |
| C2 | C3 | H3 | 110.9° | 110.4° |
| C2 | C3 | H3A | 110.9° | 110.4° |
| C2 | N21 | C22 | 115.8° | 120.0° |
| C2 | N21 | S27 | 120.3° | 120.0° |
| N21 | C2 | H2 | 107.8° | 110.4° |
| C3 | N4 | C5 | 110.8° | 104.2° |
| N4 | C3 | H3 | 110.9° | 110.4° |
| N4 | C3 | H3A | 110.9° | 110.3° |
| C3 | N4 | HN4 | 109.0° | 111.0° |
| C26 | C4 | C32 | 118.7° | 120.1° |
| C26 | C4 | C34 | 122.4° | 120.2° |
| C4 | C26 | N28 | 119.7° | 120.0° |
| C4 | C26 | O33 | 119.1° | 120.0° |
| C32 | C4 | C34 | 118.9° | 119.7° |
| C4 | C32 | C31 | 120.1° | 119.9° |
| C4 | C32 | H32 | 119.9° | 120.1° |
| C4 | C34 | C35 | 120.5° | 119.8° |
| C4 | C34 | H34 | 119.7° | 120.0° |
| C5 | N4 | HN4 | 109.0° | 111.0° |
| N4 | C5 | H5 | 112.0° | 110.4° |
| N4 | C5 | H5A | 111.9° | 110.4° |
| C8 | C6 | C9 | 119.8° | 119.9° |
| C6 | C8 | C7 | 118.6° | 120.0° |
| C6 | C8 | C13 | 120.3° | 120.1° |
| C8 | C6 | H6 | 120.1° | 120.1° |
| C6 | C9 | O10 | 119.4° | 120.0° |
| C6 | C9 | C11 | 120.7° | 119.9° |
| C9 | C6 | H6 | 120.1° | 120.0° |
| N6 | C7 | C8 | 108.2° | 109.4° |
| C7 | N6 | HN6 | 106.3° | 111.0° |
| N6 | C7 | H7 | 109.9° | 109.5° |
| N6 | C7 | H7A | 109.9° | 109.5° |
| C7 | C8 | C13 | 121.0° | 119.9° |
| C8 | C7 | H7 | 109.9° | 109.4° |
| C8 | C7 | H7A | 109.9° | 109.5° |
| C8 | C13 | C12 | 119.7° | 120.1° |
| C8 | C13 | H13 | 120.2° | 119.9° |
| O10 | C9 | C11 | 120.0° | 120.1° |
| C9 | O10 | HO10 | 109.5° | 114.0° |
| C9 | C11 | C12 | 119.5° | 119.9° |
| C9 | C11 | H11 | 120.3° | 120.0° |
| C11 | C12 | C13 | 120.0° | 120.1° |
| C12 | C11 | H11 | 120.2° | 120.0° |
| C11 | C12 | H12 | 120.0° | 119.9° |
| C13 | C12 | H12 | 120.0° | 120.0° |
| C12 | C13 | H13 | 120.1° | 120.0° |
| C15 | C14 | C23 | 119.8° | 120.0° |
| C14 | C15 | C16 | 120.1° | 120.0° |
| C15 | C14 | H14 | 120.1° | 120.0° |
| C14 | C15 | H15 | 119.9° | 120.0° |
| C14 | C23 | C22 | 122.6° | 120.0° |
| C14 | C23 | C25 | 119.4° | 120.0° |
| C23 | C14 | H14 | 120.1° | 120.1° |
| C15 | C16 | C17 | 120.2° | 120.0° |
| C15 | C16 | C24 | 120.3° | 120.0° |
| C16 | C15 | H15 | 119.9° | 120.0° |
| C17 | C16 | C24 | 119.5° | 120.0° |
| C16 | C17 | F18 | 109.4° | 109.4° |
| C16 | C17 | F19 | 109.4° | 109.5° |
| C16 | C17 | F20 | 111.1° | 109.5° |
| C16 | C24 | C25 | 119.3° | 120.0° |
| C16 | C24 | H24 | 120.4° | 120.0° |
| F18 | C17 | F19 | 109.2° | 109.5° |
| F18 | C17 | F20 | 107.8° | 109.5° |
| F19 | C17 | F20 | 109.9° | 109.5° |
| C22 | N21 | S27 | 122.8° | 120.0° |
| N21 | C22 | C23 | 120.1° | 109.4° |
| N21 | C22 | H22 | 106.1° | 109.5° |
| N21 | C22 | H22A | 106.0° | 109.5° |
| N21 | S27 | O28 | 108.7° | 106.4° |
| N21 | S27 | O29 | 109.1° | 106.4° |
| N21 | S27 | C30 | 105.0° | 107.2° |
| C22 | C23 | C25 | 118.0° | 120.0° |
| C23 | C22 | H22 | 106.1° | 109.5° |
| C23 | C22 | H22A | 106.1° | 109.5° |
| C23 | C25 | C24 | 121.1° | 120.0° |
| C23 | C25 | H25 | 119.5° | 120.0° |
| C25 | C24 | H24 | 120.4° | 120.0° |
| C24 | C25 | H25 | 119.5° | 120.0° |
| N28 | C26 | O33 | 121.2° | 120.0° |
| C26 | N28 | HN28 | 120.0° | 120.0° |
| C26 | N28 | HN2A | 120.0° | 120.0° |
| O28 | S27 | O29 | 114.6° | 123.1° |
| O28 | S27 | C30 | 109.3° | 106.4° |
| O29 | S27 | C30 | 109.8° | 106.4° |
| S27 | C30 | C31 | 120.5° | 119.9° |
| S27 | C30 | C35 | 121.7° | 119.9° |
| C31 | C30 | C35 | 117.8° | 120.3° |
| C30 | C31 | C32 | 122.0° | 120.2° |
| C30 | C31 | H31 | 119.0° | 119.9° |
| C30 | C35 | C34 | 120.6° | 120.2° |
| C30 | C35 | H35 | 119.7° | 119.9° |
| C32 | C31 | H31 | 119.0° | 119.9° |
| C31 | C32 | H32 | 119.9° | 120.1° |
| C35 | C34 | H34 | 119.7° | 120.1° |
| C34 | C35 | H35 | 119.7° | 119.9° |
| H3 | C3 | H3A | 108.0° | 110.5° |
| H5 | C5 | H5A | 106.9° | 110.5° |
| H7 | C7 | H7A | 109.0° | 109.5° |
| H22 | C22 | H22A | 112.7° | 109.5° |
| HN28 | N28 | HN2A | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C5 | N6 | 116.9° | 118.9° |
| C2 | C1 | C5 | H1 | 121.8° | 118.9° |
| C2 | C1 | N6 | H1 | 121.9° | 122.2° |
| C1 | C2 | C3 | N21 | 121.2° | 118.9° |
| C1 | C2 | C3 | H2 | 119.4° | 118.9° |
| C1 | C2 | N21 | H2 | 120.0° | 122.2° |
| C1 | C2 | C3 | N4 | 4.5° | 23.9° |
| C2 | C1 | C5 | N4 | 27.6° | 23.9° |
| C2 | C1 | N6 | C7 | 73.6° | 155.0° |
| C1 | C2 | N21 | C22 | 46.6° | 65.7° |
| C1 | C2 | N21 | S27 | 145.3° | 114.4° |
| C1 | C2 | C3 | H3 | 124.5° | 94.9° |
| C1 | C2 | C3 | H3A | 115.5° | 142.6° |
| C2 | C1 | C5 | H5 | 92.4° | 142.7° |
| C2 | C1 | C5 | H5A | 147.6° | 94.9° |
| C2 | C1 | N6 | HN6 | 46.4° | 31.0° |
| C5 | C1 | N6 | H1 | 122.1° | 122.2° |
| C5 | C1 | C2 | C3 | 14.4° | 0.0° |
| C5 | C1 | C2 | N21 | 100.1° | 118.9° |
| C1 | C5 | N4 | C3 | 31.8° | 39.5° |
| C1 | C5 | N4 | H5 | 120.0° | 118.8° |
| C1 | C5 | N4 | H5A | 120.0° | 118.8° |
| C5 | C1 | N6 | C7 | 170.4° | 89.4° |
| C5 | C1 | C2 | H2 | 139.8° | 118.9° |
| C1 | C5 | N4 | HN4 | 88.2° | 159.0° |
| C1 | C5 | H5 | H5A | 122.9° | 122.4° |
| C5 | C1 | N6 | HN6 | 69.6° | 146.6° |
| N6 | C1 | C2 | C3 | 102.2° | 118.9° |
| N6 | C1 | C2 | N21 | 143.2° | 122.2° |
| N6 | C1 | C5 | N4 | 89.3° | 142.8° |
| C1 | N6 | C7 | HN6 | 120.0° | 123.9° |
| C1 | N6 | C7 | C8 | 73.1° | 180.0° |
| N6 | C1 | C2 | H2 | 23.2° | 0.0° |
| N6 | C1 | C5 | H5 | 150.7° | 98.5° |
| N6 | C1 | C5 | H5A | 30.7° | 24.0° |
| C1 | N6 | C7 | H7 | 46.9° | 60.1° |
| C1 | N6 | C7 | H7A | 166.9° | 60.0° |
| C3 | C2 | N21 | H2 | 125.4° | 122.2° |
| C2 | C3 | N4 | H3 | 120.0° | 118.8° |
| C2 | C3 | N4 | H3A | 120.0° | 118.7° |
| C2 | C3 | N4 | C5 | 23.3° | 39.5° |
| C3 | C2 | N21 | C22 | 68.0° | 50.0° |
| C3 | C2 | N21 | S27 | 100.1° | 130.0° |
| C3 | C2 | C1 | H1 | 136.4° | 118.9° |
| C2 | C3 | H3 | H3A | 121.7° | 122.4° |
| C2 | C3 | N4 | HN4 | 96.7° | 159.0° |
| N21 | C2 | C3 | N4 | 125.7° | 95.0° |
| C2 | N21 | C22 | S27 | 167.8° | 179.9° |
| C2 | N21 | C22 | C23 | 95.5° | 86.1° |
| C2 | N21 | S27 | O28 | 163.0° | 163.0° |
| C2 | N21 | S27 | O29 | 37.5° | 30.1° |
| C2 | N21 | S27 | C30 | 80.1° | 83.4° |
| N21 | C2 | C1 | H1 | 21.9° | 0.0° |
| N21 | C2 | C3 | H3 | 114.3° | 146.2° |
| N21 | C2 | C3 | H3A | 5.7° | 23.7° |
| C2 | N21 | C22 | H22 | 24.5° | 33.8° |
| C2 | N21 | C22 | H22A | 144.5° | 153.9° |
| C3 | N4 | C5 | HN4 | 120.0° | 119.5° |
| N4 | C3 | C2 | H2 | 114.9° | 142.7° |
| N4 | C3 | H3 | H3A | 121.7° | 122.4° |
| C3 | N4 | C5 | H5 | 88.2° | 158.3° |
| C3 | N4 | C5 | H5A | 151.8° | 79.3° |
| C26 | C4 | C32 | C34 | 179.4° | 179.7° |
| C4 | C26 | N28 | O33 | 178.8° | 180.0° |
| C26 | C4 | C32 | C31 | 179.1° | 180.0° |
| C26 | C4 | C34 | C35 | 179.7° | 180.0° |
| C4 | C26 | N28 | HN28 | 178.8° | 0.0° |
| C4 | C26 | N28 | HN2A | 1.2° | 180.0° |
| C26 | C4 | C32 | H32 | 0.9° | 0.1° |
| C26 | C4 | C34 | H34 | 0.2° | 0.0° |
| C32 | C4 | C26 | N28 | 148.7° | 180.0° |
| C32 | C4 | C26 | O33 | 30.1° | 0.0° |
| C4 | C32 | C31 | C30 | 0.6° | 0.1° |
| C4 | C32 | C31 | H32 | 180.0° | 179.9° |
| C32 | C4 | C34 | C35 | 0.4° | 0.4° |
| C4 | C32 | C31 | H31 | 179.4° | 180.0° |
| C32 | C4 | C34 | H34 | 179.6° | 179.6° |
| C34 | C4 | C26 | N28 | 30.7° | 0.3° |
| C34 | C4 | C26 | O33 | 150.5° | 179.7° |
| C4 | C34 | C35 | C30 | 0.7° | 0.1° |
| C34 | C4 | C32 | C31 | 0.3° | 0.4° |
| C4 | C34 | C35 | H34 | 180.0° | 180.0° |
| C34 | C4 | C32 | H32 | 179.7° | 179.7° |
| C4 | C34 | C35 | H35 | 179.3° | 179.7° |
| N4 | C5 | C1 | H1 | 149.4° | 95.0° |
| C5 | N4 | C3 | H3 | 143.3° | 79.3° |
| C5 | N4 | C3 | H3A | 96.7° | 158.2° |
| N4 | C5 | H5 | H5A | 122.9° | 122.4° |
| C8 | C6 | C9 | H6 | 180.0° | 179.6° |
| C6 | C8 | C7 | N6 | 69.7° | 90.0° |
| C6 | C8 | C7 | C13 | 179.9° | 180.0° |
| C8 | C6 | C9 | O10 | 179.9° | 180.0° |
| C8 | C6 | C9 | C11 | 0.7° | 0.1° |
| C6 | C8 | C13 | C12 | 0.1° | 0.0° |
| C6 | C8 | C7 | H7 | 170.3° | 29.9° |
| C6 | C8 | C7 | H7A | 50.3° | 150.0° |
| C6 | C8 | C13 | H13 | 179.9° | 179.9° |
| C9 | C6 | C8 | C7 | 179.5° | 180.0° |
| C9 | C6 | C8 | C13 | 0.4° | 0.1° |
| C6 | C9 | O10 | C11 | 179.4° | 179.9° |
| C6 | C9 | C11 | C12 | 0.8° | 0.0° |
| C6 | C9 | O10 | HO10 | 180.0° | 90.0° |
| C6 | C9 | C11 | H11 | 179.2° | 180.0° |
| N6 | C7 | C8 | H7 | 120.0° | 119.9° |
| N6 | C7 | C8 | H7A | 120.0° | 120.0° |
| N6 | C7 | C8 | C13 | 110.4° | 90.0° |
| C7 | N6 | C1 | H1 | 48.3° | 32.8° |
| N6 | C7 | H7 | H7A | 120.5° | 120.0° |
| C7 | C8 | C13 | C12 | 179.8° | 180.0° |
| C7 | C8 | C6 | H6 | 0.5° | 0.3° |
| C8 | C7 | N6 | HN6 | 166.8° | 56.1° |
| C8 | C7 | H7 | H7A | 120.6° | 120.0° |
| C7 | C8 | C13 | H13 | 0.2° | 0.0° |
| C8 | C13 | C12 | C11 | 0.1° | 0.1° |
| C8 | C13 | C12 | H13 | 180.0° | 179.9° |
| C13 | C8 | C6 | H6 | 179.6° | 179.7° |
| C13 | C8 | C7 | H7 | 9.6° | 150.0° |
| C13 | C8 | C7 | H7A | 129.6° | 30.0° |
| C8 | C13 | C12 | H12 | 179.9° | 180.0° |
| O10 | C9 | C11 | C12 | 179.9° | 179.9° |
| O10 | C9 | C6 | H6 | 0.1° | 0.4° |
| O10 | C9 | C11 | H11 | 0.1° | 0.1° |
| C9 | C11 | C12 | H11 | 180.0° | 180.0° |
| C9 | C11 | C12 | C13 | 0.5° | 0.0° |
| C11 | C9 | C6 | H6 | 179.3° | 179.7° |
| C11 | C9 | O10 | HO10 | 0.6° | 89.9° |
| C9 | C11 | C12 | H12 | 179.5° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | H13 | 179.9° | 180.0° |
| C13 | C12 | C11 | H11 | 179.6° | 179.9° |
| C15 | C14 | C23 | H14 | 180.0° | 179.7° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 179.7° | 180.0° |
| C14 | C15 | C16 | C24 | 0.7° | 0.0° |
| C15 | C14 | C23 | C22 | 178.3° | 180.0° |
| C15 | C14 | C23 | C25 | 0.3° | 0.0° |
| C23 | C14 | C15 | C16 | 0.5° | NaN° |
| C14 | C23 | C22 | N21 | 22.1° | 95.8° |
| C14 | C23 | C22 | C25 | 178.6° | 180.0° |
| C14 | C23 | C25 | C24 | 0.2° | 0.0° |
| C23 | C14 | C15 | H15 | 179.5° | 180.0° |
| C14 | C23 | C22 | H22 | 142.1° | 24.1° |
| C14 | C23 | C22 | H22A | 97.9° | 144.2° |
| C14 | C23 | C25 | H25 | 179.8° | 180.0° |
| C15 | C16 | C17 | C24 | 179.0° | 180.0° |
| C15 | C16 | C17 | F18 | 51.9° | 90.0° |
| C15 | C16 | C17 | F19 | 171.5° | 150.0° |
| C15 | C16 | C17 | F20 | 67.0° | 30.0° |
| C15 | C16 | C24 | C25 | 0.6° | 0.0° |
| C16 | C15 | C14 | H14 | 179.5° | 179.7° |
| C15 | C16 | C24 | H24 | 179.4° | 180.0° |
| C16 | C17 | F18 | F19 | 119.7° | 120.0° |
| C16 | C17 | F18 | F20 | 121.0° | 120.0° |
| C16 | C17 | F19 | F20 | 122.2° | 120.0° |
| C17 | C16 | C24 | C25 | 179.6° | 180.0° |
| C17 | C16 | C15 | H15 | 0.3° | 0.0° |
| C17 | C16 | C24 | H24 | 0.5° | 0.0° |
| C24 | C16 | C17 | F18 | 127.1° | 90.0° |
| C24 | C16 | C17 | F19 | 7.5° | 29.9° |
| C24 | C16 | C17 | F20 | 114.0° | 150.0° |
| C16 | C24 | C25 | C23 | 0.3° | 0.0° |
| C16 | C24 | C25 | H24 | 180.0° | 180.0° |
| C24 | C16 | C15 | H15 | 179.3° | 180.0° |
| C16 | C24 | C25 | H25 | 179.7° | 180.0° |
| F18 | C17 | F19 | F20 | 118.1° | 120.0° |
| N21 | C22 | C23 | H22 | 120.0° | 120.0° |
| N21 | C22 | C23 | H22A | 120.0° | 120.0° |
| N21 | C22 | C23 | C25 | 159.3° | 84.2° |
| C22 | N21 | S27 | O28 | 29.7° | 16.9° |
| C22 | N21 | S27 | O29 | 155.2° | 149.8° |
| C22 | N21 | S27 | C30 | 87.2° | 96.7° |
| C22 | N21 | C2 | H2 | 166.5° | 172.2° |
| N21 | C22 | H22 | H22A | 115.6° | 120.0° |
| S27 | N21 | C22 | C23 | 96.7° | 93.9° |
| N21 | S27 | O28 | O29 | 122.2° | 123.0° |
| N21 | S27 | O28 | C30 | 114.1° | 114.1° |
| N21 | S27 | O29 | C30 | 114.6° | 114.1° |
| N21 | S27 | C30 | C31 | 80.3° | 96.9° |
| N21 | S27 | C30 | C35 | 98.4° | 82.9° |
| S27 | N21 | C2 | H2 | 25.3° | 7.8° |
| S27 | N21 | C22 | H22 | 143.3° | 146.1° |
| S27 | N21 | C22 | H22A | 23.3° | 26.1° |
| C22 | C23 | C25 | C24 | 178.4° | 180.0° |
| C22 | C23 | C14 | H14 | 1.7° | 0.2° |
| C23 | C22 | H22 | H22A | 115.6° | 120.1° |
| C22 | C23 | C25 | H25 | 1.6° | 0.0° |
| C23 | C25 | C24 | H25 | 180.0° | 180.0° |
| C25 | C23 | C14 | H14 | 179.7° | 179.7° |
| C25 | C23 | C22 | H22 | 39.3° | 155.8° |
| C25 | C23 | C22 | H22A | 80.7° | 35.8° |
| C23 | C25 | C24 | H24 | 179.7° | 180.0° |
| C26 | N28 | HN28 | HN2A | 179.9° | 180.0° |
| O33 | C26 | N28 | HN28 | 0.0° | 180.0° |
| O33 | C26 | N28 | HN2A | 180.0° | 0.0° |
| O28 | S27 | O29 | C30 | 123.4° | 122.9° |
| O28 | S27 | C30 | C31 | 36.1° | 16.7° |
| O28 | S27 | C30 | C35 | 145.2° | 163.5° |
| O29 | S27 | C30 | C31 | 162.6° | 149.6° |
| O29 | S27 | C30 | C35 | 18.8° | 30.6° |
| S27 | C30 | C31 | C35 | 178.7° | 179.8° |
| S27 | C30 | C31 | C32 | 178.4° | 180.0° |
| S27 | C30 | C35 | C34 | 179.0° | 180.0° |
| S27 | C30 | C31 | H31 | 1.6° | 0.1° |
| S27 | C30 | C35 | H35 | 1.0° | 0.2° |
| C30 | C31 | C32 | H31 | 180.0° | 179.9° |
| C31 | C30 | C35 | C34 | 0.3° | 0.2° |
| C30 | C31 | C32 | H32 | 179.4° | 180.0° |
| C31 | C30 | C35 | H35 | 179.7° | 180.0° |
| C35 | C30 | C31 | C32 | 0.3° | 0.2° |
| C30 | C35 | C34 | H35 | 180.0° | 179.8° |
| C35 | C30 | C31 | H31 | 179.7° | 179.7° |
| C30 | C35 | C34 | H34 | 179.3° | 179.9° |
| H1 | C1 | C2 | H2 | 98.1° | 122.2° |
| H1 | C1 | C5 | H5 | 29.4° | 23.8° |
| H1 | C1 | C5 | H5A | 90.6° | 146.2° |
| H1 | C1 | N6 | HN6 | 168.3° | 91.2° |
| H2 | C2 | C3 | H3 | 5.1° | 24.0° |
| H2 | C2 | C3 | H3A | 125.1° | 98.6° |
| H3 | C3 | N4 | HN4 | 23.3° | 40.2° |
| H3A | C3 | N4 | HN4 | 143.3° | 82.3° |
| HN4 | N4 | C5 | H5 | 151.8° | 82.2° |
| HN4 | N4 | C5 | H5A | 31.8° | 40.2° |
| HN6 | N6 | C7 | H7 | 73.1° | 176.0° |
| HN6 | N6 | C7 | H7A | 46.9° | 63.9° |
| H11 | C11 | C12 | H12 | 0.5° | 0.0° |
| H12 | C12 | C13 | H13 | 0.1° | 0.1° |
| H14 | C14 | C15 | H15 | 0.5° | 0.3° |
| H24 | C24 | C25 | H25 | 0.3° | 0.0° |
| H31 | C31 | C32 | H32 | 0.6° | 0.1° |
| H34 | C34 | C35 | H35 | 0.7° | 0.2° |
