NK7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.54Å | 1.52Å | |
| C1 | C5 | sing | 1.54Å | 1.52Å | |
| C1 | N6 | sing | 1.47Å | 1.45Å | |
| C2 | C3 | sing | 1.54Å | 1.53Å | |
| C2 | N21 | sing | 1.46Å | 1.46Å | |
| C3 | N4 | sing | 1.49Å | 1.45Å | |
| N4 | C5 | sing | 1.49Å | 1.44Å | |
| N6 | C7 | sing | 1.47Å | 1.45Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C38 | sing | 1.51Å | 1.50Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.51Å | 1.47Å | |
| C16 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | F18 | sing | 1.40Å | 1.25Å | |
| C17 | F19 | sing | 1.40Å | 1.25Å | |
| C17 | F20 | sing | 1.40Å | 1.30Å | |
| N21 | C22 | sing | 1.46Å | 1.46Å | |
| N21 | S27 | sing | 1.66Å | 1.53Å | |
| C22 | C23 | sing | 1.51Å | 1.52Å | |
| C23 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | N36 | sing | 1.35Å | 1.32Å | |
| C26 | O37 | doub | 1.22Å | 1.21Å | |
| C26 | C42 | sing | 1.48Å | 1.51Å | |
| S27 | O28 | doub | 1.42Å | 1.41Å | |
| S27 | O29 | doub | 1.42Å | 1.40Å | |
| S27 | C30 | sing | 1.76Å | 1.60Å | |
| C30 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C42 | doub | 1.40Å | 1.38Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C42 | sing | 1.40Å | 1.39Å | Aromatic |
| C38 | F39 | sing | 1.40Å | 1.31Å | |
| C38 | F40 | sing | 1.40Å | 1.32Å | |
| C38 | F41 | sing | 1.40Å | 1.31Å | |
| 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 | |
| N6 | HN6 | sing | 1.01Å | 1.00Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | 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 | |
| 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 | |
| N36 | HN36 | sing | 0.97Å | 1.00Å | |
| N36 | HN3A | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C5 | 107.5° | 105.1° |
| C2 | C1 | N6 | 106.2° | 110.4° |
| C1 | C2 | C3 | 106.0° | 105.1° |
| C1 | C2 | N21 | 112.4° | 110.4° |
| C2 | C1 | H1 | 112.4° | 110.3° |
| C1 | C2 | H2 | 108.9° | 110.3° |
| C5 | C1 | N6 | 108.1° | 110.3° |
| C1 | C5 | N4 | 104.2° | 104.6° |
| C5 | C1 | H1 | 110.6° | 110.3° |
| C1 | C5 | H5 | 111.2° | 110.4° |
| C1 | C5 | H5A | 111.2° | 110.4° |
| C1 | N6 | C7 | 118.6° | 111.1° |
| N6 | C1 | H1 | 111.9° | 110.4° |
| C1 | N6 | HN6 | 106.6° | 111.0° |
| C3 | C2 | N21 | 106.3° | 110.3° |
| C2 | C3 | N4 | 105.6° | 104.6° |
| C3 | C2 | H2 | 114.7° | 110.3° |
| C2 | C3 | H3 | 110.8° | 110.4° |
| C2 | C3 | H3A | 110.8° | 110.4° |
| C2 | N21 | C22 | 115.3° | 120.0° |
| C2 | N21 | S27 | 120.4° | 120.0° |
| N21 | C2 | H2 | 108.6° | 110.4° |
| C3 | N4 | C5 | 113.4° | 104.2° |
| N4 | C3 | H3 | 110.8° | 110.4° |
| N4 | C3 | H3A | 110.8° | 110.4° |
| C3 | N4 | HN4 | 108.1° | 111.0° |
| C5 | N4 | HN4 | 108.2° | 111.1° |
| N4 | C5 | H5 | 111.3° | 110.5° |
| N4 | C5 | H5A | 111.3° | 110.4° |
| N6 | C7 | C8 | 105.7° | 109.5° |
| C7 | N6 | HN6 | 106.5° | 111.0° |
| N6 | C7 | H7 | 110.7° | 109.5° |
| N6 | C7 | H7A | 110.8° | 109.5° |
| C7 | C8 | C9 | 118.8° | 120.0° |
| C7 | C8 | C13 | 121.2° | 120.0° |
| C8 | C7 | H7 | 110.8° | 109.5° |
| C8 | C7 | H7A | 110.7° | 109.5° |
| C9 | C8 | C13 | 120.0° | 120.0° |
| C8 | C9 | C10 | 120.1° | 120.0° |
| C8 | C9 | H9 | 120.0° | 120.0° |
| C8 | C13 | C12 | 119.6° | 120.0° |
| C8 | C13 | H13 | 120.2° | 120.0° |
| C9 | C10 | C11 | 120.2° | 120.0° |
| C10 | C9 | H9 | 120.0° | 120.0° |
| C9 | C10 | H10 | 119.9° | 120.0° |
| C10 | C11 | C12 | 120.0° | 120.0° |
| C10 | C11 | C38 | 118.6° | 120.0° |
| C11 | C10 | H10 | 119.9° | 120.0° |
| C12 | C11 | C38 | 121.3° | 120.0° |
| C11 | C12 | C13 | 120.1° | 120.0° |
| C11 | C12 | H12 | 119.9° | 120.0° |
| C11 | C38 | F39 | 107.2° | 109.5° |
| C11 | C38 | F40 | 109.8° | 109.5° |
| C11 | C38 | F41 | 109.7° | 109.5° |
| C13 | C12 | H12 | 120.0° | 120.0° |
| C12 | C13 | H13 | 120.2° | 120.0° |
| C15 | C14 | C23 | 120.3° | 120.0° |
| C14 | C15 | C16 | 121.1° | 120.0° |
| C15 | C14 | H14 | 119.8° | 120.0° |
| C14 | C15 | H15 | 119.5° | 120.0° |
| C14 | C23 | C22 | 123.9° | 120.0° |
| C14 | C23 | C25 | 118.5° | 120.0° |
| C23 | C14 | H14 | 119.8° | 120.0° |
| C15 | C16 | C17 | 121.4° | 120.0° |
| C15 | C16 | C24 | 118.4° | 120.0° |
| C16 | C15 | H15 | 119.5° | 120.0° |
| C17 | C16 | C24 | 120.3° | 120.0° |
| C16 | C17 | F18 | 109.8° | 109.5° |
| C16 | C17 | F19 | 109.8° | 109.5° |
| C16 | C17 | F20 | 109.2° | 109.5° |
| C16 | C24 | C25 | 120.4° | 120.0° |
| C16 | C24 | H24 | 119.8° | 120.0° |
| F18 | C17 | F19 | 109.7° | 109.5° |
| F18 | C17 | F20 | 109.2° | 109.4° |
| F19 | C17 | F20 | 109.2° | 109.5° |
| C22 | N21 | S27 | 123.9° | 120.0° |
| N21 | C22 | C23 | 121.2° | 109.5° |
| N21 | C22 | H22 | 105.7° | 109.4° |
| N21 | C22 | H22A | 105.7° | 109.4° |
| N21 | S27 | O28 | 110.0° | 106.4° |
| N21 | S27 | O29 | 110.0° | 106.4° |
| N21 | S27 | C30 | 104.5° | 107.3° |
| C22 | C23 | C25 | 117.6° | 120.0° |
| C23 | C22 | H22 | 105.7° | 109.5° |
| C23 | C22 | H22A | 105.7° | 109.5° |
| C23 | C25 | C24 | 121.3° | 120.0° |
| C23 | C25 | H25 | 119.3° | 120.0° |
| C25 | C24 | H24 | 119.8° | 120.0° |
| C24 | C25 | H25 | 119.3° | 120.0° |
| N36 | C26 | O37 | 121.0° | 120.0° |
| N36 | C26 | C42 | 120.8° | 120.0° |
| C26 | N36 | HN36 | 120.0° | 120.0° |
| C26 | N36 | HN3A | 120.0° | 120.0° |
| O37 | C26 | C42 | 118.2° | 119.9° |
| C26 | C42 | C32 | 119.3° | 120.2° |
| C26 | C42 | C34 | 121.4° | 120.1° |
| O28 | S27 | O29 | 112.0° | 123.1° |
| O28 | S27 | C30 | 110.6° | 106.4° |
| O29 | S27 | C30 | 109.5° | 106.3° |
| S27 | C30 | C31 | 119.5° | 119.8° |
| S27 | C30 | C35 | 121.5° | 119.9° |
| C31 | C30 | C35 | 119.0° | 120.3° |
| C30 | C31 | C32 | 120.5° | 120.2° |
| C30 | C31 | H31 | 119.7° | 120.0° |
| C30 | C35 | C34 | 120.6° | 120.2° |
| C30 | C35 | H35 | 119.7° | 119.9° |
| C31 | C32 | C42 | 120.6° | 119.8° |
| C32 | C31 | H31 | 119.7° | 119.9° |
| C31 | C32 | H32 | 119.7° | 120.1° |
| C32 | C42 | C34 | 119.3° | 119.7° |
| C42 | C32 | H32 | 119.7° | 120.0° |
| C35 | C34 | C42 | 119.9° | 119.8° |
| C35 | C34 | H34 | 120.1° | 120.1° |
| C34 | C35 | H35 | 119.7° | 119.9° |
| C42 | C34 | H34 | 120.0° | 120.1° |
| F39 | C38 | F40 | 109.7° | 109.4° |
| F39 | C38 | F41 | 110.7° | 109.5° |
| F40 | C38 | F41 | 109.7° | 109.5° |
| H3 | C3 | H3A | 108.2° | 110.5° |
| H5 | C5 | H5A | 107.7° | 110.4° |
| H7 | C7 | H7A | 108.2° | 109.4° |
| H22 | C22 | H22A | 112.9° | 109.4° |
| HN36 | N36 | HN3A | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C5 | N6 | 114.2° | 119.0° |
| C2 | C1 | C5 | H1 | 123.1° | 118.9° |
| C2 | C1 | N6 | H1 | 123.0° | 122.2° |
| C1 | C2 | C3 | N21 | 119.8° | 119.0° |
| C1 | C2 | C3 | H2 | 120.1° | 118.9° |
| C1 | C2 | N21 | H2 | 120.5° | 122.2° |
| C1 | C2 | C3 | N4 | 2.6° | 23.9° |
| C2 | C1 | C5 | N4 | 17.9° | 23.8° |
| C2 | C1 | N6 | C7 | 82.8° | 155.0° |
| C1 | C2 | N21 | C22 | 48.3° | 65.5° |
| C1 | C2 | N21 | S27 | 138.1° | 114.5° |
| C1 | C2 | C3 | H3 | 117.4° | 94.9° |
| C1 | C2 | C3 | H3A | 122.6° | 142.7° |
| C2 | C1 | C5 | H5 | 102.1° | 142.6° |
| C2 | C1 | C5 | H5A | 137.9° | 95.0° |
| C2 | C1 | N6 | HN6 | 37.3° | 31.0° |
| C5 | C1 | N6 | H1 | 122.0° | 122.1° |
| C5 | C1 | C2 | C3 | 12.7° | 0.1° |
| C5 | C1 | C2 | N21 | 103.0° | 118.9° |
| C1 | C5 | N4 | C3 | 17.1° | 39.4° |
| C1 | C5 | N4 | H5 | 120.0° | 118.8° |
| C1 | C5 | N4 | H5A | 120.0° | 118.7° |
| C5 | C1 | N6 | C7 | 162.2° | 89.3° |
| C5 | C1 | C2 | H2 | 136.6° | 118.9° |
| C1 | C5 | N4 | HN4 | 102.8° | 159.0° |
| C1 | C5 | H5 | H5A | 122.1° | 122.4° |
| C5 | C1 | N6 | HN6 | 77.8° | 146.7° |
| N6 | C1 | C2 | C3 | 102.7° | 118.9° |
| N6 | C1 | C2 | N21 | 141.5° | 122.2° |
| N6 | C1 | C5 | N4 | 96.3° | 142.8° |
| C1 | N6 | C7 | HN6 | 120.0° | 124.0° |
| C1 | N6 | C7 | C8 | 85.1° | 180.0° |
| N6 | C1 | C2 | H2 | 21.2° | 0.0° |
| N6 | C1 | C5 | H5 | 143.7° | 98.4° |
| N6 | C1 | C5 | H5A | 23.7° | 24.0° |
| C1 | N6 | C7 | H7 | 34.9° | 60.0° |
| C1 | N6 | C7 | H7A | 154.9° | 59.9° |
| C3 | C2 | N21 | H2 | 123.9° | 122.2° |
| C2 | C3 | N4 | H3 | 120.0° | 118.8° |
| C2 | C3 | N4 | H3A | 120.0° | 118.8° |
| C2 | C3 | N4 | C5 | 9.4° | 39.5° |
| C3 | C2 | N21 | C22 | 67.3° | 50.2° |
| C3 | C2 | N21 | S27 | 106.3° | 129.8° |
| C3 | C2 | C1 | H1 | 134.7° | 118.9° |
| C2 | C3 | H3 | H3A | 121.6° | 122.4° |
| C2 | C3 | N4 | HN4 | 110.6° | 159.1° |
| N21 | C2 | C3 | N4 | 117.2° | 95.1° |
| C2 | N21 | C22 | S27 | 173.3° | 179.9° |
| C2 | N21 | C22 | C23 | 98.1° | 86.0° |
| C2 | N21 | S27 | O28 | 161.6° | 163.3° |
| C2 | N21 | S27 | O29 | 37.8° | 30.4° |
| C2 | N21 | S27 | C30 | 79.7° | 83.1° |
| N21 | C2 | C1 | H1 | 18.9° | 0.0° |
| N21 | C2 | C3 | H3 | 122.8° | 146.2° |
| N21 | C2 | C3 | H3A | 2.8° | 23.7° |
| C2 | N21 | C22 | H22 | 21.9° | 34.0° |
| C2 | N21 | C22 | H22A | 141.9° | 153.9° |
| C3 | N4 | C5 | HN4 | 120.0° | 119.6° |
| N4 | C3 | C2 | H2 | 122.7° | 142.7° |
| N4 | C3 | H3 | H3A | 121.5° | 122.4° |
| C3 | N4 | C5 | H5 | 102.8° | 158.2° |
| C3 | N4 | C5 | H5A | 137.1° | 79.3° |
| N4 | C5 | C1 | H1 | 140.9° | 95.1° |
| C5 | N4 | C3 | H3 | 129.4° | 79.3° |
| C5 | N4 | C3 | H3A | 110.6° | 158.2° |
| N4 | C5 | H5 | H5A | 122.2° | 122.4° |
| N6 | C7 | C8 | H7 | 120.0° | 120.0° |
| N6 | C7 | C8 | H7A | 120.0° | 120.0° |
| N6 | C7 | C8 | C9 | 69.4° | 90.0° |
| N6 | C7 | C8 | C13 | 109.0° | 90.3° |
| C7 | N6 | C1 | H1 | 40.2° | 32.8° |
| N6 | C7 | H7 | H7A | 121.6° | 120.0° |
| C7 | C8 | C9 | C13 | 178.5° | 179.7° |
| C7 | C8 | C9 | C10 | 179.0° | 180.0° |
| C7 | C8 | C13 | C12 | 178.6° | 179.8° |
| C8 | C7 | N6 | HN6 | 154.8° | 56.0° |
| C8 | C7 | H7 | H7A | 121.5° | 120.0° |
| C7 | C8 | C9 | H9 | 1.0° | 0.0° |
| C7 | C8 | C13 | H13 | 1.4° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.5° | 0.0° |
| C9 | C8 | C13 | C12 | 0.1° | 0.6° |
| C9 | C8 | C7 | H7 | 170.6° | 30.0° |
| C9 | C8 | C7 | H7A | 50.6° | 150.0° |
| C8 | C9 | C10 | H10 | 179.5° | 179.9° |
| C9 | C8 | C13 | H13 | 179.9° | 179.7° |
| C13 | C8 | C9 | C10 | 0.6° | 0.3° |
| C8 | C13 | C12 | C11 | 0.4° | 0.5° |
| C8 | C13 | C12 | H13 | 180.0° | 179.7° |
| C13 | C8 | C7 | H7 | 11.0° | 149.7° |
| C13 | C8 | C7 | H7A | 130.9° | 29.7° |
| C13 | C8 | C9 | H9 | 179.4° | 179.7° |
| C8 | C13 | C12 | H12 | 179.7° | 179.8° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.1° | 0.0° |
| C9 | C10 | C11 | C38 | 179.8° | 180.0° |
| C10 | C11 | C12 | C38 | 179.9° | 180.0° |
| C10 | C11 | C12 | C13 | 0.4° | 0.2° |
| C10 | C11 | C38 | F39 | 63.9° | 90.0° |
| C10 | C11 | C38 | F40 | 55.2° | 150.1° |
| C10 | C11 | C38 | F41 | 175.9° | 30.0° |
| C11 | C10 | C9 | H9 | 179.5° | 180.0° |
| C10 | C11 | C12 | H12 | 179.6° | 179.9° |
| C11 | C12 | C13 | H12 | 180.0° | 179.7° |
| C12 | C11 | C38 | F39 | 116.0° | 90.0° |
| C12 | C11 | C38 | F40 | 124.9° | 29.9° |
| C12 | C11 | C38 | F41 | 4.3° | 150.0° |
| C12 | C11 | C10 | H10 | 179.9° | 180.0° |
| C11 | C12 | C13 | H13 | 179.7° | 179.8° |
| C38 | C11 | C12 | C13 | 179.8° | 179.8° |
| C11 | C38 | F39 | F40 | 119.2° | 120.0° |
| C11 | C38 | F39 | F41 | 119.6° | 120.0° |
| C11 | C38 | F40 | F41 | 120.6° | 120.0° |
| C38 | C11 | C10 | H10 | 0.2° | 0.0° |
| C38 | C11 | C12 | H12 | 0.2° | 0.1° |
| C15 | C14 | C23 | H14 | 180.0° | 179.7° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 179.3° | 180.0° |
| C14 | C15 | C16 | C24 | 0.3° | 0.0° |
| C15 | C14 | C23 | C22 | 179.8° | 180.0° |
| C15 | C14 | C23 | C25 | 0.3° | 0.1° |
| C23 | C14 | C15 | C16 | 0.1° | 0.0° |
| C14 | C23 | C22 | N21 | 13.8° | 95.9° |
| C14 | C23 | C22 | C25 | 179.5° | 179.9° |
| C14 | C23 | C25 | C24 | 0.0° | 0.1° |
| C23 | C14 | C15 | H15 | 179.9° | 180.0° |
| C14 | C23 | C22 | H22 | 133.8° | 24.1° |
| C14 | C23 | C22 | H22A | 106.2° | 144.1° |
| C14 | C23 | C25 | H25 | 180.0° | 179.9° |
| C15 | C16 | C17 | C24 | 179.0° | 179.9° |
| C15 | C16 | C17 | F18 | 37.8° | 90.0° |
| C15 | C16 | C17 | F19 | 82.8° | 150.0° |
| C15 | C16 | C17 | F20 | 157.5° | 30.0° |
| C15 | C16 | C24 | C25 | 0.6° | 0.0° |
| C16 | C15 | C14 | H14 | 179.9° | 179.7° |
| C15 | C16 | C24 | H24 | 179.4° | 180.0° |
| C16 | C17 | F18 | F19 | 120.7° | 120.0° |
| C16 | C17 | F18 | F20 | 119.7° | 120.0° |
| C16 | C17 | F19 | F20 | 119.7° | 120.0° |
| C17 | C16 | C24 | C25 | 179.6° | 180.0° |
| C17 | C16 | C15 | H15 | 0.6° | 0.0° |
| C17 | C16 | C24 | H24 | 0.3° | 0.0° |
| C24 | C16 | C17 | F18 | 141.2° | 90.1° |
| C24 | C16 | C17 | F19 | 98.2° | 29.9° |
| C24 | C16 | C17 | F20 | 21.5° | 150.0° |
| C16 | C24 | C25 | C23 | 0.4° | 0.0° |
| C16 | C24 | C25 | H24 | 180.0° | 180.0° |
| C24 | C16 | C15 | H15 | 179.6° | 180.0° |
| C16 | C24 | C25 | H25 | 179.5° | 180.0° |
| F18 | C17 | F19 | F20 | 119.6° | 120.0° |
| N21 | C22 | C23 | H22 | 120.0° | 120.0° |
| N21 | C22 | C23 | H22A | 120.0° | 120.0° |
| N21 | C22 | C23 | C25 | 166.8° | 84.0° |
| C22 | N21 | S27 | O28 | 25.4° | 16.7° |
| C22 | N21 | S27 | O29 | 149.2° | 149.7° |
| C22 | N21 | S27 | C30 | 93.3° | 96.8° |
| C22 | N21 | C2 | H2 | 168.8° | 172.4° |
| N21 | C22 | H22 | H22A | 115.2° | 119.9° |
| S27 | N21 | C22 | C23 | 88.6° | 93.9° |
| N21 | S27 | O28 | O29 | 122.6° | 123.0° |
| N21 | S27 | O28 | C30 | 114.9° | 114.2° |
| N21 | S27 | O29 | C30 | 114.3° | 114.1° |
| N21 | S27 | C30 | C31 | 78.9° | 96.9° |
| N21 | S27 | C30 | C35 | 98.9° | 83.2° |
| S27 | N21 | C2 | H2 | 17.6° | 7.7° |
| S27 | N21 | C22 | H22 | 151.4° | 146.0° |
| S27 | N21 | C22 | H22A | 31.4° | 26.1° |
| C22 | C23 | C25 | C24 | 179.5° | 180.0° |
| C22 | C23 | C14 | H14 | 0.2° | 0.4° |
| C23 | C22 | H22 | H22A | 115.2° | 120.0° |
| C22 | C23 | C25 | H25 | 0.5° | 0.0° |
| C23 | C25 | C24 | H25 | 180.0° | 180.0° |
| C25 | C23 | C14 | H14 | 179.7° | 179.7° |
| C25 | C23 | C22 | H22 | 46.8° | 156.0° |
| C25 | C23 | C22 | H22A | 73.2° | 36.0° |
| C23 | C25 | C24 | H24 | 179.5° | 180.0° |
| N36 | C26 | O37 | C42 | 179.3° | 180.0° |
| N36 | C26 | C42 | C32 | 157.8° | 180.0° |
| N36 | C26 | C42 | C34 | 22.6° | 0.3° |
| C26 | N36 | HN36 | HN3A | 180.0° | 179.9° |
| O37 | C26 | C42 | C32 | 22.9° | 0.1° |
| O37 | C26 | C42 | C34 | 156.6° | 179.7° |
| O37 | C26 | N36 | HN36 | 0.0° | 0.1° |
| O37 | C26 | N36 | HN3A | 180.0° | 180.0° |
| C26 | C42 | C32 | C31 | 179.8° | 180.0° |
| C26 | C42 | C32 | C34 | 179.6° | 179.7° |
| C26 | C42 | C34 | C35 | 179.9° | 179.9° |
| C26 | C42 | C32 | H32 | 0.2° | 0.1° |
| C26 | C42 | C34 | H34 | 0.1° | 0.1° |
| C42 | C26 | N36 | HN36 | 179.3° | 180.0° |
| C42 | C26 | N36 | HN3A | 0.7° | 0.1° |
| O28 | S27 | O29 | C30 | 123.0° | 122.9° |
| O28 | S27 | C30 | C31 | 39.5° | 16.6° |
| O28 | S27 | C30 | C35 | 142.7° | 163.2° |
| O29 | S27 | C30 | C31 | 163.4° | 149.5° |
| O29 | S27 | C30 | C35 | 18.8° | 30.3° |
| S27 | C30 | C31 | C35 | 177.9° | 179.8° |
| S27 | C30 | C31 | C32 | 179.0° | 180.0° |
| S27 | C30 | C35 | C34 | 178.8° | 180.0° |
| S27 | C30 | C31 | H31 | 1.0° | 0.1° |
| S27 | C30 | C35 | H35 | 1.2° | 0.1° |
| C30 | C31 | C32 | H31 | 180.0° | 179.9° |
| C30 | C31 | C32 | C42 | 0.6° | 0.1° |
| C31 | C30 | C35 | C34 | 0.9° | 0.2° |
| C30 | C31 | C32 | H32 | 179.4° | 180.0° |
| C31 | C30 | C35 | H35 | 179.1° | 179.8° |
| C35 | C30 | C31 | C32 | 1.1° | 0.2° |
| C30 | C35 | C34 | H35 | 180.0° | 179.9° |
| C30 | C35 | C34 | C42 | 0.2° | 0.1° |
| C35 | C30 | C31 | H31 | 178.9° | 179.7° |
| C30 | C35 | C34 | H34 | 179.8° | 180.0° |
| C31 | C32 | C42 | H32 | 180.0° | 179.9° |
| C31 | C32 | C42 | C34 | 0.2° | 0.4° |
| C32 | C42 | C34 | C35 | 0.4° | 0.4° |
| C42 | C32 | C31 | H31 | 179.4° | 180.0° |
| C32 | C42 | C34 | H34 | 179.6° | 179.7° |
| C35 | C34 | C42 | H34 | 180.0° | 179.8° |
| C34 | C42 | C32 | H32 | 179.8° | 179.7° |
| C42 | C34 | C35 | H35 | 179.8° | 179.9° |
| F39 | C38 | F40 | F41 | 121.8° | 120.0° |
| H1 | C1 | C2 | H2 | 101.4° | 122.2° |
| H1 | C1 | C5 | H5 | 20.9° | 23.8° |
| H1 | C1 | C5 | H5A | 99.1° | 146.2° |
| H1 | C1 | N6 | HN6 | 160.2° | 91.2° |
| H2 | C2 | C3 | H3 | 2.7° | 24.0° |
| H2 | C2 | C3 | H3A | 117.3° | 98.5° |
| H3 | C3 | N4 | HN4 | 9.4° | 40.3° |
| H3A | C3 | N4 | HN4 | 129.4° | 82.1° |
| HN4 | N4 | C5 | H5 | 137.2° | 82.2° |
| HN4 | N4 | C5 | H5A | 17.2° | 40.3° |
| HN6 | N6 | C7 | H7 | 85.2° | 176.0° |
| HN6 | N6 | C7 | H7A | 34.9° | 64.0° |
| H9 | C9 | C10 | H10 | 0.5° | 0.1° |
| H12 | C12 | C13 | H13 | 0.3° | 0.0° |
| H14 | C14 | C15 | H15 | 0.1° | 0.3° |
| H24 | C24 | C25 | H25 | 0.5° | 0.1° |
| H31 | C31 | C32 | H32 | 0.6° | 0.1° |
| H34 | C34 | C35 | H35 | 0.2° | 0.1° |
