QK7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C21 | sing | 1.53Å | 1.54Å | |
| C21 | C19 | sing | 1.53Å | 1.54Å | |
| C21 | O27 | sing | 1.43Å | 1.46Å | |
| C21 | C13 | sing | 1.53Å | 1.51Å | |
| C6 | C11 | sing | 1.53Å | 1.52Å | |
| C6 | C13 | sing | 1.53Å | 1.52Å | |
| C11 | C13 | sing | 1.53Å | 1.52Å | |
| C11 | C16 | sing | 1.53Å | 1.52Å | |
| O27 | C20 | sing | 1.43Å | 1.43Å | |
| C20 | C15 | sing | 1.53Å | 1.52Å | |
| C9 | C16 | sing | 1.55Å | 1.55Å | |
| C9 | N25 | sing | 1.49Å | 1.47Å | |
| N23 | C3 | doub | 1.32Å | 1.35Å | Aromatic |
| N23 | C4 | sing | 1.32Å | 1.34Å | Aromatic |
| C3 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C7 | C15 | sing | 1.53Å | 1.52Å | |
| C7 | C14 | sing | 1.53Å | 1.51Å | |
| C16 | C12 | sing | 1.54Å | 1.53Å | |
| C16 | N24 | sing | 1.44Å | 1.47Å | |
| C15 | C14 | sing | 1.53Å | 1.51Å | |
| N25 | C4 | sing | 1.38Å | 1.39Å | |
| N25 | C8 | sing | 1.48Å | 1.46Å | |
| C14 | C17 | sing | 1.53Å | 1.49Å | |
| C4 | N22 | doub | 1.32Å | 1.34Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C8 | sing | 1.54Å | 1.54Å | |
| C12 | C10 | sing | 1.52Å | 1.53Å | |
| N24 | C5 | doub | 1.28Å | 1.32Å | |
| N22 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
| C10 | S28 | sing | 1.81Å | 1.81Å | |
| C5 | S28 | sing | 1.76Å | 1.76Å | |
| C5 | N26 | sing | 1.38Å | 1.37Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| N26 | H30 | sing | 0.97Å | 1.00Å | |
| N26 | H31 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C21 | C19 | 107.2° | 109.5° |
| C18 | C21 | O27 | 108.9° | 109.5° |
| C18 | C21 | C13 | 113.2° | 109.5° |
| C21 | C18 | H22 | 109.5° | 109.5° |
| C21 | C18 | H23 | 109.5° | 109.4° |
| C21 | C18 | H24 | 109.5° | 109.5° |
| C19 | C21 | O27 | 103.6° | 109.4° |
| C19 | C21 | C13 | 112.5° | 109.5° |
| C21 | C19 | H25 | 109.5° | 109.5° |
| C21 | C19 | H26 | 109.5° | 109.4° |
| C21 | C19 | H27 | 109.4° | 109.5° |
| O27 | C21 | C13 | 110.8° | 109.5° |
| C21 | O27 | C20 | 114.8° | 114.0° |
| C21 | C13 | C6 | 123.6° | 117.5° |
| C21 | C13 | C11 | 119.6° | 117.5° |
| C21 | C13 | H16 | 114.4° | 115.6° |
| C11 | C6 | C13 | 60.0° | 60.0° |
| C6 | C11 | C13 | 59.9° | 60.0° |
| C6 | C11 | C16 | 121.9° | 117.5° |
| C11 | C6 | H3 | 120.0° | 117.6° |
| C11 | C6 | H4 | 120.0° | 117.5° |
| C6 | C11 | H14 | 114.0° | 117.6° |
| C6 | C13 | C11 | 60.0° | 60.0° |
| C13 | C6 | H3 | 120.0° | 117.5° |
| C13 | C6 | H4 | 120.0° | 117.5° |
| C6 | C13 | H16 | 114.2° | 117.5° |
| C13 | C11 | C16 | 122.6° | 117.5° |
| C13 | C11 | H14 | 114.0° | 117.6° |
| C11 | C13 | H16 | 114.2° | 117.5° |
| C11 | C16 | C9 | 109.2° | 110.4° |
| C11 | C16 | C12 | 113.4° | 110.3° |
| C11 | C16 | N24 | 110.0° | 111.2° |
| C16 | C11 | H14 | 114.0° | 115.5° |
| O27 | C20 | C15 | 108.2° | 109.5° |
| O27 | C20 | H28 | 109.8° | 109.5° |
| O27 | C20 | H29 | 109.8° | 109.5° |
| C20 | C15 | C7 | 119.3° | 117.5° |
| C20 | C15 | C14 | 119.6° | 117.5° |
| C20 | C15 | H18 | 115.5° | 115.6° |
| C15 | C20 | H28 | 109.8° | 109.5° |
| C15 | C20 | H29 | 109.8° | 109.5° |
| C16 | C9 | N25 | 102.6° | 106.9° |
| C9 | C16 | C12 | 102.0° | 102.5° |
| C9 | C16 | N24 | 107.0° | 107.6° |
| C16 | C9 | H10 | 111.2° | 109.9° |
| C16 | C9 | H11 | 111.1° | 109.9° |
| C9 | N25 | C4 | 124.3° | 111.0° |
| C9 | N25 | C8 | 112.3° | 108.4° |
| N25 | C9 | H10 | 111.2° | 109.8° |
| N25 | C9 | H11 | 111.2° | 110.2° |
| C3 | N23 | C4 | 114.9° | 120.8° |
| N23 | C3 | C1 | 122.7° | 119.2° |
| N23 | C3 | H6 | 118.6° | 120.4° |
| N23 | C4 | N25 | 116.3° | 119.2° |
| N23 | C4 | N22 | 128.1° | 121.6° |
| C3 | C1 | C2 | 116.5° | 118.5° |
| C3 | C1 | H5 | 121.8° | 120.8° |
| C1 | C3 | H6 | 118.6° | 120.4° |
| C15 | C7 | C14 | 60.0° | 60.0° |
| C7 | C15 | C14 | 59.7° | 60.0° |
| C15 | C7 | H1 | 120.0° | 117.5° |
| C15 | C7 | H2 | 120.0° | 117.4° |
| C7 | C15 | H18 | 115.6° | 117.5° |
| C7 | C14 | C15 | 60.3° | 60.0° |
| C7 | C14 | C17 | 119.7° | 117.5° |
| C14 | C7 | H1 | 120.0° | 117.5° |
| C14 | C7 | H2 | 120.0° | 117.5° |
| C7 | C14 | H17 | 115.5° | 117.5° |
| C12 | C16 | N24 | 114.6° | 114.4° |
| C16 | C12 | C8 | 103.0° | 103.2° |
| C16 | C12 | C10 | 114.0° | 112.5° |
| C16 | C12 | H15 | 108.7° | 109.9° |
| C16 | N24 | C5 | 126.5° | 130.6° |
| C15 | C14 | C17 | 118.5° | 117.5° |
| C15 | C14 | H17 | 115.5° | 117.5° |
| C14 | C15 | H18 | 115.7° | 117.5° |
| C4 | N25 | C8 | 123.4° | 111.0° |
| N25 | C4 | N22 | 115.6° | 119.2° |
| N25 | C8 | C12 | 103.4° | 104.3° |
| N25 | C8 | H8 | 111.0° | 110.4° |
| N25 | C8 | H9 | 110.9° | 110.5° |
| C17 | C14 | H17 | 115.9° | 115.5° |
| C14 | C17 | H19 | 109.5° | 109.4° |
| C14 | C17 | H20 | 109.4° | 109.5° |
| C14 | C17 | H21 | 109.4° | 109.5° |
| C4 | N22 | C2 | 114.3° | 120.7° |
| C1 | C2 | N22 | 123.5° | 119.2° |
| C2 | C1 | H5 | 121.7° | 120.7° |
| C1 | C2 | H7 | 118.2° | 120.4° |
| C8 | C12 | C10 | 113.7° | 111.4° |
| C12 | C8 | H8 | 111.0° | 110.5° |
| C12 | C8 | H9 | 111.0° | 110.4° |
| C8 | C12 | H15 | 108.6° | 109.8° |
| C12 | C10 | S28 | 114.8° | 109.5° |
| C12 | C10 | H12 | 108.1° | 109.5° |
| C12 | C10 | H13 | 108.1° | 109.5° |
| C10 | C12 | H15 | 108.7° | 109.9° |
| N24 | C5 | S28 | 126.1° | 122.8° |
| N24 | C5 | N26 | 121.3° | 118.6° |
| N22 | C2 | H7 | 118.2° | 120.4° |
| C10 | S28 | C5 | 101.5° | 98.9° |
| S28 | C10 | H12 | 108.1° | 109.5° |
| S28 | C10 | H13 | 108.1° | 109.4° |
| S28 | C5 | N26 | 112.6° | 118.6° |
| C5 | N26 | H30 | 120.0° | 120.0° |
| C5 | N26 | H31 | 120.0° | 120.0° |
| H1 | C7 | H2 | 109.4° | 115.6° |
| H3 | C6 | H4 | 109.5° | 115.5° |
| H8 | C8 | H9 | 109.5° | 110.5° |
| H10 | C9 | H11 | 109.5° | 110.1° |
| H12 | C10 | H13 | 109.5° | 109.4° |
| H19 | C17 | H20 | 109.4° | 109.5° |
| H19 | C17 | H21 | 109.5° | 109.5° |
| H20 | C17 | H21 | 109.5° | 109.4° |
| H22 | C18 | H23 | 109.5° | 109.5° |
| H22 | C18 | H24 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.5° |
| H25 | C19 | H26 | 109.5° | 109.5° |
| H25 | C19 | H27 | 109.4° | 109.5° |
| H26 | C19 | H27 | 109.5° | 109.5° |
| H28 | C20 | H29 | 109.5° | 109.4° |
| H30 | N26 | H31 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C21 | C19 | O27 | 115.1° | 120.0° |
| C18 | C21 | C19 | C13 | 125.1° | 120.0° |
| C18 | C21 | O27 | C13 | 125.2° | 120.0° |
| C18 | C21 | C13 | C6 | 10.6° | 8.6° |
| C18 | C21 | C13 | C11 | 61.2° | 60.0° |
| C18 | C21 | O27 | C20 | 71.0° | 60.0° |
| C18 | C21 | C13 | H16 | 158.1° | 154.3° |
| C21 | C18 | H22 | H23 | 120.0° | 120.0° |
| C21 | C18 | H22 | H24 | 120.0° | 120.0° |
| C21 | C18 | H23 | H24 | 120.0° | 120.0° |
| C18 | C21 | C19 | H25 | 180.0° | 60.0° |
| C18 | C21 | C19 | H26 | 60.0° | 180.0° |
| C18 | C21 | C19 | H27 | 60.0° | 60.0° |
| C19 | C21 | O27 | C13 | 120.9° | 120.0° |
| C19 | C21 | C13 | C6 | 132.4° | 128.6° |
| C19 | C21 | C13 | C11 | 60.6° | 60.0° |
| C19 | C21 | O27 | C20 | 175.1° | 60.0° |
| C19 | C21 | C13 | H16 | 80.2° | 85.7° |
| C19 | C21 | C18 | H22 | 180.0° | 60.0° |
| C19 | C21 | C18 | H23 | 60.0° | 180.0° |
| C19 | C21 | C18 | H24 | 60.0° | 60.0° |
| C21 | C19 | H25 | H26 | 120.0° | 120.0° |
| C21 | C19 | H25 | H27 | 120.0° | 120.0° |
| C21 | C19 | H26 | H27 | 120.0° | 120.0° |
| O27 | C21 | C13 | C6 | 112.1° | 111.4° |
| O27 | C21 | C13 | C11 | 176.1° | 180.0° |
| C21 | O27 | C20 | C15 | 164.1° | 180.0° |
| O27 | C21 | C13 | H16 | 35.3° | 34.3° |
| O27 | C21 | C18 | H22 | 68.5° | 60.0° |
| O27 | C21 | C18 | H23 | 171.5° | 60.0° |
| O27 | C21 | C18 | H24 | 51.5° | 180.0° |
| O27 | C21 | C19 | H25 | 64.9° | 180.0° |
| O27 | C21 | C19 | H26 | 55.1° | 60.0° |
| O27 | C21 | C19 | H27 | 175.1° | 60.0° |
| C21 | O27 | C20 | H28 | 44.3° | 60.0° |
| C21 | O27 | C20 | H29 | 76.1° | 59.9° |
| C21 | C13 | C11 | C6 | 114.1° | 107.5° |
| C21 | C13 | C6 | H16 | 147.5° | 145.0° |
| C21 | C13 | C11 | H16 | 140.8° | 145.0° |
| C21 | C13 | C11 | C16 | 135.2° | 145.0° |
| C13 | C21 | O27 | C20 | 54.2° | 180.0° |
| C21 | C13 | C6 | H3 | 143.0° | 145.0° |
| C21 | C13 | C6 | H4 | 2.0° | 0.1° |
| C21 | C13 | C11 | H14 | 9.2° | 0.0° |
| C13 | C21 | C18 | H22 | 55.3° | 180.0° |
| C13 | C21 | C18 | H23 | 64.7° | 60.0° |
| C13 | C21 | C18 | H24 | 175.3° | 60.0° |
| C13 | C21 | C19 | H25 | 54.8° | 60.0° |
| C13 | C21 | C19 | H26 | 174.9° | 60.0° |
| C13 | C21 | C19 | H27 | 65.1° | 180.0° |
| C11 | C6 | C13 | H3 | 109.5° | 107.6° |
| C11 | C6 | C13 | H4 | 109.5° | 107.5° |
| C6 | C11 | C13 | C16 | 110.7° | 107.5° |
| C6 | C11 | C13 | H14 | 104.9° | 107.5° |
| C6 | C11 | C16 | H14 | 143.2° | 145.7° |
| C6 | C11 | C16 | C9 | 92.3° | 65.3° |
| C6 | C11 | C16 | C12 | 154.6° | 177.9° |
| C6 | C11 | C16 | N24 | 24.8° | 54.1° |
| C11 | C6 | H3 | H4 | 144.7° | 145.8° |
| C11 | C6 | C13 | H16 | 105.0° | 107.5° |
| C13 | C6 | H3 | H4 | 144.7° | 145.6° |
| C13 | C11 | C16 | H14 | 144.5° | 145.7° |
| C13 | C11 | C16 | C9 | 164.7° | 133.9° |
| C13 | C11 | C16 | C12 | 82.2° | 113.5° |
| C13 | C11 | C16 | N24 | 47.6° | 14.5° |
| C11 | C16 | C9 | C12 | 120.3° | 117.5° |
| C11 | C16 | C9 | N24 | 119.0° | 121.5° |
| C11 | C16 | C9 | N25 | 155.0° | 140.2° |
| C11 | C16 | C12 | N24 | 127.4° | 126.3° |
| C11 | C16 | C12 | C8 | 158.1° | 153.7° |
| C11 | C16 | C12 | C10 | 78.3° | 86.1° |
| C11 | C16 | N24 | C5 | 108.1° | 120.6° |
| C16 | C11 | C6 | H3 | 2.5° | 0.0° |
| C16 | C11 | C6 | H4 | 138.5° | 145.1° |
| C11 | C16 | C9 | H10 | 36.1° | 21.1° |
| C11 | C16 | C9 | H11 | 86.1° | 100.2° |
| C11 | C16 | C12 | H15 | 43.1° | 36.7° |
| C16 | C11 | C13 | H16 | 5.6° | 0.0° |
| O27 | C20 | C15 | H28 | 119.8° | 120.0° |
| O27 | C20 | C15 | H29 | 119.8° | 120.0° |
| O27 | C20 | C15 | C7 | 92.4° | 116.4° |
| O27 | C20 | C15 | C14 | 162.2° | 175.0° |
| O27 | C20 | C15 | H18 | 52.4° | 29.3° |
| O27 | C20 | H28 | H29 | 120.6° | 120.0° |
| C20 | C15 | C7 | C14 | 109.2° | 107.5° |
| C20 | C15 | C7 | H18 | 144.8° | 145.0° |
| C20 | C15 | C14 | H18 | 145.4° | 145.0° |
| C20 | C15 | C14 | C17 | 141.4° | 145.0° |
| C20 | C15 | C7 | H1 | 0.3° | 145.0° |
| C20 | C15 | C7 | H2 | 141.3° | 0.0° |
| C20 | C15 | C14 | H17 | 2.5° | 0.0° |
| C15 | C20 | H28 | H29 | 120.6° | 120.0° |
| C16 | C9 | N25 | H10 | 118.9° | 119.2° |
| C16 | C9 | N25 | H11 | 118.9° | 119.4° |
| C9 | C16 | C12 | N24 | 115.2° | 116.2° |
| C16 | C9 | N25 | C4 | 161.8° | 122.5° |
| C16 | C9 | N25 | C8 | 16.1° | 0.3° |
| C9 | C16 | C12 | C8 | 40.8° | 36.2° |
| C9 | C16 | C12 | C10 | 164.3° | 156.3° |
| C9 | C16 | N24 | C5 | 133.4° | 118.4° |
| C16 | C9 | H10 | H11 | 123.2° | 121.2° |
| C9 | C16 | C11 | H14 | 50.8° | 80.4° |
| C9 | C16 | C12 | H15 | 74.2° | 80.9° |
| C9 | N25 | C4 | N23 | 2.0° | 0.5° |
| N25 | C9 | C16 | C12 | 34.7° | 22.7° |
| N25 | C9 | C16 | N24 | 86.0° | 98.3° |
| C9 | N25 | C4 | C8 | 177.7° | 120.6° |
| C9 | N25 | C4 | N22 | 178.1° | 180.0° |
| C9 | N25 | C8 | C12 | 9.2° | 23.2° |
| C9 | N25 | C8 | H8 | 128.3° | 95.5° |
| C9 | N25 | C8 | H9 | 109.8° | 142.0° |
| N25 | C9 | H10 | H11 | 123.2° | 121.5° |
| N23 | C3 | C1 | H6 | 180.0° | 180.0° |
| C3 | N23 | C4 | N25 | 180.0° | 179.7° |
| C3 | N23 | C4 | N22 | 0.1° | 0.8° |
| N23 | C3 | C1 | C2 | 1.1° | 0.0° |
| N23 | C3 | C1 | H5 | 178.9° | 179.7° |
| C4 | N23 | C3 | C1 | 0.2° | 0.5° |
| N23 | C4 | N25 | N22 | 179.9° | 179.5° |
| N23 | C4 | N25 | C8 | 179.7° | 121.1° |
| N23 | C4 | N22 | C2 | 0.5° | 0.5° |
| C4 | N23 | C3 | H6 | 179.8° | 179.5° |
| C3 | C1 | C2 | H5 | 180.0° | 179.8° |
| C3 | C1 | C2 | N22 | 1.8° | 0.2° |
| C3 | C1 | C2 | H7 | 178.2° | 179.7° |
| C15 | C7 | C14 | H1 | 109.5° | 107.5° |
| C15 | C7 | C14 | H2 | 109.4° | 107.4° |
| C7 | C15 | C14 | H18 | 105.9° | 107.5° |
| C15 | C7 | C14 | C17 | 107.9° | 107.5° |
| C15 | C7 | H1 | H2 | 144.7° | 145.6° |
| C15 | C7 | C14 | H17 | 106.1° | 107.5° |
| C7 | C15 | C20 | H28 | 147.7° | 3.6° |
| C7 | C15 | C20 | H29 | 27.3° | 123.6° |
| C7 | C14 | C17 | H17 | 145.9° | 145.7° |
| C14 | C7 | H1 | H2 | 144.8° | 145.7° |
| C7 | C14 | C17 | H19 | 180.0° | 8.6° |
| C7 | C14 | C17 | H20 | 60.0° | 128.6° |
| C7 | C14 | C17 | H21 | 60.0° | 111.4° |
| C16 | C12 | C8 | N25 | 31.1° | 37.2° |
| C16 | C12 | C8 | C10 | 123.8° | 120.9° |
| C16 | C12 | C8 | H15 | 115.1° | 117.1° |
| C16 | C12 | C10 | H15 | 121.4° | 122.8° |
| C12 | C16 | N24 | C5 | 21.1° | 5.2° |
| C16 | C12 | C10 | S28 | 55.4° | 64.8° |
| C16 | C12 | C8 | H8 | 150.1° | 81.5° |
| C16 | C12 | C8 | H9 | 87.9° | 156.0° |
| C12 | C16 | C9 | H10 | 84.2° | 96.4° |
| C12 | C16 | C9 | H11 | 153.6° | 142.3° |
| C16 | C12 | C10 | H12 | 65.4° | 55.3° |
| C16 | C12 | C10 | H13 | 176.1° | 175.2° |
| C12 | C16 | C11 | H14 | 62.2° | 32.2° |
| N24 | C16 | C12 | C8 | 74.5° | 80.0° |
| N24 | C16 | C12 | C10 | 49.1° | 40.1° |
| C16 | N24 | C5 | S28 | 0.1° | 0.8° |
| C16 | N24 | C5 | N26 | 179.7° | 179.5° |
| N24 | C16 | C9 | H10 | 155.1° | 142.6° |
| N24 | C16 | C9 | H11 | 32.9° | 21.3° |
| N24 | C16 | C11 | H14 | 168.0° | 160.2° |
| N24 | C16 | C12 | H15 | 170.5° | 162.9° |
| C15 | C14 | C17 | H17 | 143.9° | 145.7° |
| C15 | C14 | C17 | H19 | 109.8° | 60.0° |
| C15 | C14 | C17 | H20 | 130.2° | 60.0° |
| C15 | C14 | C17 | H21 | 10.2° | 180.0° |
| C14 | C15 | C20 | H28 | 78.0° | 65.0° |
| C14 | C15 | C20 | H29 | 42.4° | 55.0° |
| C4 | N25 | C8 | C12 | 172.9° | 145.4° |
| N25 | C4 | N22 | C2 | 179.3° | 180.0° |
| C4 | N25 | C8 | H8 | 53.8° | 26.7° |
| C4 | N25 | C8 | H9 | 68.1° | 95.9° |
| C4 | N25 | C9 | H10 | 79.3° | 118.4° |
| C4 | N25 | C9 | H11 | 42.9° | 3.0° |
| C8 | N25 | C4 | N22 | 0.5° | 59.4° |
| N25 | C8 | C12 | H8 | 119.0° | 118.7° |
| N25 | C8 | C12 | H9 | 119.0° | 118.8° |
| N25 | C8 | C12 | C10 | 154.9° | 158.1° |
| N25 | C8 | H8 | H9 | 122.8° | 122.6° |
| C8 | N25 | C9 | H10 | 102.8° | 119.5° |
| C8 | N25 | C9 | H11 | 134.9° | 119.1° |
| N25 | C8 | C12 | H15 | 84.0° | 79.9° |
| C17 | C14 | C7 | H1 | 142.6° | 0.0° |
| C17 | C14 | C7 | H2 | 1.6° | 145.1° |
| C17 | C14 | C15 | H18 | 4.0° | 0.0° |
| C14 | C17 | H19 | H20 | 120.0° | 120.0° |
| C14 | C17 | H19 | H21 | 120.0° | 120.0° |
| C14 | C17 | H20 | H21 | 120.0° | 120.0° |
| C4 | N22 | C2 | C1 | 1.5° | 0.0° |
| C4 | N22 | C2 | H7 | 178.5° | 180.0° |
| C1 | C2 | N22 | H7 | 180.0° | 180.0° |
| C2 | C1 | C3 | H6 | 178.9° | 180.0° |
| C8 | C12 | C10 | H15 | 121.0° | 122.0° |
| C8 | C12 | C10 | S28 | 62.2° | 50.5° |
| C12 | C8 | H8 | H9 | 122.8° | 122.5° |
| C8 | C12 | C10 | H12 | 177.0° | 170.6° |
| C8 | C12 | C10 | H13 | 58.5° | 69.5° |
| C12 | C10 | S28 | H12 | 120.8° | 120.1° |
| C12 | C10 | S28 | H13 | 120.8° | 120.1° |
| C12 | C10 | S28 | C5 | 31.4° | 51.3° |
| C10 | C12 | C8 | H8 | 86.1° | 39.4° |
| C10 | C12 | C8 | H9 | 35.9° | 83.1° |
| C12 | C10 | H12 | H13 | 117.5° | 120.0° |
| N24 | C5 | S28 | C10 | 4.9° | 21.2° |
| N24 | C5 | S28 | N26 | 179.6° | 179.7° |
| N24 | C5 | N26 | H30 | 0.0° | 179.7° |
| N24 | C5 | N26 | H31 | 180.0° | 0.3° |
| N22 | C2 | C1 | H5 | 178.2° | 180.0° |
| C10 | S28 | C5 | N26 | 175.5° | 158.5° |
| S28 | C10 | H12 | H13 | 117.6° | 119.9° |
| S28 | C10 | C12 | H15 | 176.8° | 172.5° |
| C5 | S28 | C10 | H12 | 89.4° | 68.8° |
| C5 | S28 | C10 | H13 | 152.1° | 171.3° |
| S28 | C5 | N26 | H30 | 179.6° | 0.0° |
| S28 | C5 | N26 | H31 | 0.4° | 180.0° |
| C5 | N26 | H30 | H31 | 180.0° | 179.9° |
| H1 | C7 | C14 | H17 | 3.4° | 145.0° |
| H1 | C7 | C15 | H18 | 144.5° | 0.0° |
| H2 | C7 | C14 | H17 | 144.5° | 0.0° |
| H2 | C7 | C15 | H18 | 3.5° | 145.0° |
| H3 | C6 | C11 | H14 | 145.6° | 145.0° |
| H3 | C6 | C13 | H16 | 4.5° | 0.1° |
| H4 | C6 | C11 | H14 | 4.6° | 0.1° |
| H4 | C6 | C13 | H16 | 145.5° | 145.0° |
| H5 | C1 | C3 | H6 | 1.1° | 0.2° |
| H5 | C1 | C2 | H7 | 1.8° | 0.0° |
| H8 | C8 | C12 | H15 | 35.0° | 161.4° |
| H9 | C8 | C12 | H15 | 157.0° | 38.9° |
| H12 | C10 | C12 | H15 | 56.0° | 67.5° |
| H13 | C10 | C12 | H15 | 62.5° | 52.4° |
| H14 | C11 | C13 | H16 | 150.0° | 145.0° |
| H17 | C14 | C15 | H18 | 147.9° | 145.0° |
| H17 | C14 | C17 | H19 | 34.1° | 154.3° |
| H17 | C14 | C17 | H20 | 85.9° | 85.7° |
| H17 | C14 | C17 | H21 | 154.1° | 34.3° |
| H18 | C15 | C20 | H28 | 67.4° | 149.3° |
| H18 | C15 | C20 | H29 | 172.2° | 90.7° |
| H19 | C17 | H20 | H21 | 120.0° | 120.0° |
| H22 | C18 | H23 | H24 | 120.0° | 120.0° |
| H25 | C19 | H26 | H27 | 120.0° | 120.0° |
