PS4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | S4 | sing | 1.81Å | 1.80Å | |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C13 | sing | 1.51Å | 1.51Å | |
| C8 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C16 | N17 | sing | 1.35Å | 1.38Å | |
| C16 | O5 | doub | 1.21Å | 1.21Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | C24 | sing | 1.54Å | 1.53Å | |
| C18 | N17 | sing | 1.47Å | 1.48Å | |
| C19 | N20 | sing | 1.46Å | 1.48Å | |
| C23 | C24 | sing | 1.55Å | 1.53Å | |
| C23 | C22 | sing | 1.55Å | 1.54Å | |
| C27 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C28 | sing | 1.40Å | 1.39Å | Aromatic |
| C31 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | S4 | sing | 1.76Å | 1.75Å | |
| O32 | C25 | doub | 1.22Å | 1.21Å | |
| C25 | C28 | sing | 1.48Å | 1.48Å | |
| C25 | N20 | sing | 1.35Å | 1.40Å | |
| C28 | C26 | doub | 1.40Å | 1.39Å | Aromatic |
| S4 | O2 | doub | 1.42Å | 1.45Å | |
| S4 | O3 | doub | 1.42Å | 1.44Å | |
| C22 | N17 | sing | 1.47Å | 1.48Å | |
| C14 | N21 | sing | 1.47Å | 1.47Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C9 | CL6 | sing | 1.74Å | 1.72Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| N20 | HN20 | sing | 0.97Å | 1.00Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| N21 | HN21 | sing | 1.01Å | 1.00Å | |
| N21 | HN2A | sing | 1.01Å | 1.00Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | S4 | C31 | 112.8° | 104.4° |
| C1 | S4 | O2 | 105.2° | 110.5° |
| C1 | S4 | O3 | 108.9° | 110.5° |
| S4 | C1 | H1 | 109.5° | 109.4° |
| S4 | C1 | H1A | 109.5° | 109.5° |
| S4 | C1 | H1B | 109.5° | 109.5° |
| C8 | C7 | C9 | 119.5° | 120.0° |
| C7 | C8 | C13 | 119.2° | 120.0° |
| C7 | C8 | C10 | 120.2° | 120.0° |
| C8 | C7 | H7 | 120.3° | 120.0° |
| C7 | C9 | C11 | 120.4° | 119.9° |
| C7 | C9 | CL6 | 120.1° | 120.0° |
| C9 | C7 | H7 | 120.3° | 120.0° |
| C13 | C8 | C10 | 120.6° | 120.0° |
| C8 | C13 | C14 | 113.8° | 109.4° |
| C8 | C13 | H13 | 108.0° | 109.5° |
| C8 | C13 | H13A | 107.1° | 109.5° |
| C8 | C10 | C12 | 120.4° | 120.0° |
| C8 | C10 | H10 | 119.8° | 120.0° |
| C12 | C11 | C9 | 120.4° | 120.0° |
| C11 | C12 | C10 | 119.1° | 120.0° |
| C12 | C11 | H11 | 119.8° | 120.0° |
| C11 | C12 | H12 | 120.5° | 120.0° |
| C11 | C9 | CL6 | 119.5° | 120.0° |
| C9 | C11 | H11 | 119.8° | 120.0° |
| C10 | C12 | H12 | 120.4° | 120.0° |
| C12 | C10 | H10 | 119.8° | 120.0° |
| C16 | C15 | C14 | 113.3° | 109.4° |
| C15 | C16 | N17 | 120.1° | 120.0° |
| C15 | C16 | O5 | 120.7° | 120.0° |
| C16 | C15 | H15 | 108.2° | 109.4° |
| C16 | C15 | H15A | 107.4° | 109.4° |
| C15 | C14 | N21 | 109.3° | 109.5° |
| C15 | C14 | C13 | 106.9° | 109.4° |
| C14 | C15 | H15 | 108.3° | 109.5° |
| C14 | C15 | H15A | 107.4° | 109.5° |
| C15 | C14 | H14 | 111.7° | 109.4° |
| N17 | C16 | O5 | 119.1° | 120.0° |
| C16 | N17 | C18 | 124.8° | 125.7° |
| C16 | N17 | C22 | 124.5° | 125.7° |
| C19 | C18 | C24 | 110.6° | 109.9° |
| C19 | C18 | N17 | 111.2° | 109.9° |
| C18 | C19 | N20 | 114.9° | 109.5° |
| C19 | C18 | H18 | 105.8° | 109.9° |
| C18 | C19 | H19 | 107.7° | 109.5° |
| C18 | C19 | H19A | 106.5° | 109.5° |
| C24 | C18 | N17 | 103.2° | 107.3° |
| C18 | C24 | C23 | 104.5° | 102.9° |
| C24 | C18 | H18 | 113.4° | 109.9° |
| C18 | C24 | H24 | 111.2° | 110.7° |
| C18 | C24 | H24A | 112.3° | 110.7° |
| C18 | N17 | C22 | 110.6° | 108.7° |
| N17 | C18 | H18 | 112.8° | 110.0° |
| C19 | N20 | C25 | 122.7° | 120.0° |
| N20 | C19 | H19 | 107.7° | 109.5° |
| N20 | C19 | H19A | 106.4° | 109.5° |
| C19 | N20 | HN20 | 118.7° | 119.9° |
| C24 | C23 | C22 | 105.4° | 101.6° |
| C24 | C23 | H23 | 110.8° | 110.9° |
| C24 | C23 | H23A | 111.7° | 111.0° |
| C23 | C24 | H24 | 111.2° | 110.7° |
| C23 | C24 | H24A | 112.3° | 110.8° |
| C23 | C22 | N17 | 105.5° | 104.8° |
| C22 | C23 | H23 | 110.8° | 111.0° |
| C22 | C23 | H23A | 111.7° | 111.0° |
| C23 | C22 | H22 | 110.8° | 110.4° |
| C23 | C22 | H22A | 111.7° | 110.4° |
| C29 | C27 | C26 | 119.9° | 120.2° |
| C27 | C29 | C31 | 120.5° | 120.3° |
| C29 | C27 | H27 | 120.0° | 119.9° |
| C27 | C29 | H29 | 119.7° | 119.9° |
| C27 | C26 | C28 | 119.9° | 119.8° |
| C26 | C27 | H27 | 120.0° | 119.9° |
| C27 | C26 | H26 | 120.0° | 120.1° |
| C31 | C30 | C28 | 120.8° | 119.9° |
| C30 | C31 | C29 | 119.1° | 120.1° |
| C30 | C31 | S4 | 120.2° | 119.9° |
| C31 | C30 | H30 | 119.6° | 120.1° |
| C30 | C28 | C25 | 119.4° | 120.1° |
| C30 | C28 | C26 | 119.7° | 119.7° |
| C28 | C30 | H30 | 119.6° | 120.1° |
| C29 | C31 | S4 | 120.7° | 119.9° |
| C31 | C29 | H29 | 119.8° | 119.8° |
| C31 | S4 | O2 | 108.6° | 104.3° |
| C31 | S4 | O3 | 110.3° | 104.3° |
| O32 | C25 | C28 | 118.0° | 120.0° |
| O32 | C25 | N20 | 120.1° | 120.0° |
| C28 | C25 | N20 | 121.9° | 120.0° |
| C25 | C28 | C26 | 120.9° | 120.1° |
| C25 | N20 | HN20 | 118.6° | 120.0° |
| C28 | C26 | H26 | 120.0° | 120.1° |
| O2 | S4 | O3 | 111.0° | 121.0° |
| N17 | C22 | H22 | 110.8° | 110.3° |
| N17 | C22 | H22A | 111.7° | 110.4° |
| N21 | C14 | C13 | 110.7° | 109.5° |
| N21 | C14 | H14 | 108.0° | 109.5° |
| C14 | N21 | HN21 | 109.5° | 111.0° |
| C14 | N21 | HN2A | 109.5° | 111.0° |
| C13 | C14 | H14 | 110.3° | 109.5° |
| C14 | C13 | H13 | 108.0° | 109.4° |
| C14 | C13 | H13A | 107.0° | 109.5° |
| H1 | C1 | H1A | 109.4° | 109.5° |
| H1 | C1 | H1B | 109.4° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H15 | C15 | H15A | 112.5° | 109.5° |
| H19 | C19 | H19A | 113.8° | 109.4° |
| H23 | C23 | H23A | 106.4° | 110.9° |
| H24 | C24 | H24A | 105.6° | 110.8° |
| H22 | C22 | H22A | 106.5° | 110.4° |
| HN21 | N21 | HN2A | 109.5° | 110.9° |
| H13 | C13 | H13A | 112.9° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | S4 | C31 | C30 | 138.3° | 90.0° |
| C1 | S4 | C31 | C29 | 42.3° | 90.0° |
| C1 | S4 | C31 | O2 | 116.2° | 116.1° |
| C1 | S4 | C31 | O3 | 122.0° | 116.0° |
| C1 | S4 | O2 | O3 | 117.6° | 131.5° |
| S4 | C1 | H1 | H1A | 120.0° | 120.0° |
| S4 | C1 | H1 | H1B | 120.0° | 120.0° |
| S4 | C1 | H1A | H1B | 120.0° | 120.0° |
| C8 | C7 | C9 | H7 | 180.0° | 179.8° |
| C7 | C8 | C13 | C10 | 179.9° | 180.0° |
| C8 | C7 | C9 | C11 | 0.1° | 0.0° |
| C7 | C8 | C10 | C12 | 0.4° | 0.1° |
| C7 | C8 | C13 | C14 | 74.6° | 90.0° |
| C8 | C7 | C9 | CL6 | 179.6° | 179.9° |
| C7 | C8 | C13 | H13 | 165.4° | 150.0° |
| C7 | C8 | C13 | H13A | 43.5° | 30.0° |
| C7 | C8 | C10 | H10 | 179.6° | 180.0° |
| C9 | C7 | C8 | C13 | 179.7° | 180.0° |
| C9 | C7 | C8 | C10 | 0.3° | 0.0° |
| C7 | C9 | C11 | C12 | 0.0° | 0.1° |
| C7 | C9 | C11 | CL6 | 179.6° | 179.9° |
| C7 | C9 | C11 | H11 | 180.0° | 180.0° |
| C13 | C8 | C10 | C12 | 179.5° | 179.9° |
| C8 | C13 | C14 | C15 | 161.0° | 175.0° |
| C8 | C13 | C14 | N21 | 42.0° | 65.0° |
| C8 | C13 | C14 | H13 | 120.0° | 120.0° |
| C8 | C13 | C14 | H13A | 118.1° | 120.0° |
| C13 | C8 | C7 | H7 | 0.4° | 0.3° |
| C8 | C13 | C14 | H14 | 77.4° | 55.0° |
| C8 | C13 | H13 | H13A | 118.2° | 120.0° |
| C13 | C8 | C10 | H10 | 0.5° | 0.0° |
| C8 | C10 | C12 | C11 | 0.4° | 0.1° |
| C8 | C10 | C12 | H10 | 180.0° | 179.9° |
| C10 | C8 | C13 | C14 | 105.3° | 90.0° |
| C10 | C8 | C7 | H7 | 179.7° | 179.8° |
| C8 | C10 | C12 | H12 | 179.6° | 180.0° |
| C10 | C8 | C13 | H13 | 14.7° | 30.0° |
| C10 | C8 | C13 | H13A | 136.6° | 150.0° |
| C12 | C11 | C9 | H11 | 180.0° | 179.9° |
| C11 | C12 | C10 | H12 | 180.0° | 179.9° |
| C12 | C11 | C9 | CL6 | 179.7° | 180.0° |
| C11 | C12 | C10 | H10 | 179.6° | 180.0° |
| C9 | C11 | C12 | C10 | 0.1° | 0.1° |
| C11 | C9 | C7 | H7 | 179.9° | 179.7° |
| C9 | C11 | C12 | H12 | 179.9° | 180.0° |
| C10 | C12 | C11 | H11 | 179.9° | 180.0° |
| C16 | C15 | C14 | H15 | 120.0° | 120.0° |
| C16 | C15 | C14 | H15A | 118.4° | 119.9° |
| C15 | C16 | N17 | O5 | 179.3° | 180.0° |
| C15 | C16 | N17 | C18 | 179.6° | 175.0° |
| C15 | C16 | N17 | C22 | 1.2° | 5.1° |
| C16 | C15 | C14 | N21 | 156.0° | 65.0° |
| C16 | C15 | C14 | C13 | 84.1° | 175.0° |
| C16 | C15 | H15 | H15A | 118.5° | 119.9° |
| C16 | C15 | C14 | H14 | 36.7° | 55.0° |
| C14 | C15 | C16 | N17 | 160.8° | 180.0° |
| C14 | C15 | C16 | O5 | 19.9° | 0.0° |
| C15 | C14 | N21 | C13 | 117.5° | 120.0° |
| C15 | C14 | N21 | H14 | 121.7° | 120.0° |
| C15 | C14 | C13 | H14 | 121.6° | 119.9° |
| C14 | C15 | H15 | H15A | 118.4° | 120.1° |
| C15 | C14 | N21 | HN21 | 169.4° | 176.1° |
| C15 | C14 | N21 | HN2A | 70.6° | 60.0° |
| C15 | C14 | C13 | H13 | 41.0° | 65.0° |
| C15 | C14 | C13 | H13A | 80.9° | 55.0° |
| C16 | N17 | C18 | C19 | 88.3° | 61.7° |
| C16 | N17 | C18 | C24 | 153.2° | 178.9° |
| C16 | N17 | C18 | C22 | 178.7° | 179.9° |
| C16 | N17 | C22 | C23 | 170.9° | 155.8° |
| N17 | C16 | C15 | H15 | 79.2° | 60.0° |
| N17 | C16 | C15 | H15A | 42.5° | 60.0° |
| C16 | N17 | C18 | H18 | 30.3° | 59.4° |
| C16 | N17 | C22 | H22 | 69.1° | 85.4° |
| C16 | N17 | C22 | H22A | 49.4° | 37.0° |
| O5 | C16 | N17 | C18 | 1.0° | 5.1° |
| O5 | C16 | N17 | C22 | 179.5° | 174.9° |
| O5 | C16 | C15 | H15 | 100.1° | 120.0° |
| O5 | C16 | C15 | H15A | 138.2° | 119.9° |
| C19 | C18 | C24 | N17 | 119.0° | 119.4° |
| C19 | C18 | C24 | H18 | 118.6° | 121.0° |
| C19 | C18 | N17 | H18 | 118.6° | 121.1° |
| C18 | C19 | N20 | H19 | 120.0° | 120.1° |
| C18 | C19 | N20 | H19A | 117.6° | 120.0° |
| C19 | C18 | C24 | C23 | 86.2° | 141.6° |
| C18 | C19 | N20 | C25 | 113.1° | 175.1° |
| C19 | C18 | N17 | C22 | 93.1° | 118.4° |
| C18 | C19 | H19 | H19A | 117.8° | 119.9° |
| C19 | C18 | C24 | H24 | 33.8° | 23.3° |
| C19 | C18 | C24 | H24A | 152.0° | 100.0° |
| C18 | C19 | N20 | HN20 | 66.9° | 4.9° |
| C24 | C18 | N17 | H18 | 122.8° | 119.5° |
| C24 | C18 | C19 | N20 | 174.5° | 64.9° |
| C18 | C24 | C23 | H24 | 120.0° | 118.3° |
| C18 | C24 | C23 | H24A | 121.9° | 118.4° |
| C18 | C24 | C23 | C22 | 28.7° | 35.5° |
| C24 | C18 | N17 | C22 | 25.5° | 1.0° |
| C24 | C18 | C19 | H19 | 65.5° | 55.1° |
| C24 | C18 | C19 | H19A | 56.9° | 175.0° |
| C18 | C24 | C23 | H23 | 91.3° | 153.6° |
| C18 | C24 | C23 | H23A | 150.2° | 82.6° |
| C18 | C24 | H24 | H24A | 122.0° | 123.2° |
| N17 | C18 | C19 | N20 | 60.5° | 177.2° |
| N17 | C18 | C24 | C23 | 32.8° | 22.2° |
| C18 | N17 | C22 | C23 | 7.8° | 24.1° |
| N17 | C18 | C19 | H19 | 179.5° | 62.7° |
| N17 | C18 | C19 | H19A | 57.1° | 57.2° |
| N17 | C18 | C24 | H24 | 152.8° | 96.1° |
| N17 | C18 | C24 | H24A | 89.1° | 140.6° |
| C18 | N17 | C22 | H22 | 112.2° | 94.7° |
| C18 | N17 | C22 | H22A | 129.3° | 142.9° |
| C19 | N20 | C25 | O32 | 0.7° | 0.0° |
| C19 | N20 | C25 | C28 | 178.2° | 180.0° |
| C19 | N20 | C25 | HN20 | 180.0° | 180.0° |
| N20 | C19 | C18 | H18 | 62.3° | 56.1° |
| N20 | C19 | H19 | H19A | 117.7° | 120.0° |
| C24 | C23 | C22 | H23 | 120.0° | 118.1° |
| C24 | C23 | C22 | H23A | 121.5° | 118.1° |
| C24 | C23 | C22 | N17 | 13.3° | 37.0° |
| C23 | C24 | C18 | H18 | 155.2° | 97.4° |
| C24 | C23 | H23 | H23A | 121.6° | 123.8° |
| C23 | C24 | H24 | H24A | 122.0° | 123.3° |
| C24 | C23 | C22 | H22 | 133.3° | 81.8° |
| C24 | C23 | C22 | H22A | 108.2° | 155.8° |
| C23 | C22 | N17 | H22 | 120.0° | 118.8° |
| C23 | C22 | N17 | H22A | 121.5° | 118.8° |
| C22 | C23 | H23 | H23A | 121.7° | 124.0° |
| C22 | C23 | C24 | H24 | 148.7° | 82.8° |
| C22 | C23 | C24 | H24A | 93.2° | 153.9° |
| C23 | C22 | H22 | H22A | 121.6° | 122.3° |
| C29 | C27 | C26 | H27 | 180.0° | 179.8° |
| C27 | C29 | C31 | C30 | 0.4° | 0.0° |
| C27 | C29 | C31 | H29 | 180.0° | 180.0° |
| C27 | C29 | C31 | S4 | 179.8° | 180.0° |
| C29 | C27 | C26 | C28 | 0.4° | 0.1° |
| C29 | C27 | C26 | H26 | 179.6° | 180.0° |
| C27 | C26 | C28 | C30 | 1.2° | 0.0° |
| C26 | C27 | C29 | C31 | 0.1° | 0.0° |
| C27 | C26 | C28 | C25 | 179.0° | 179.9° |
| C27 | C26 | C28 | H26 | 180.0° | 179.9° |
| C26 | C27 | C29 | H29 | 179.9° | 180.0° |
| C31 | C30 | C28 | H30 | 180.0° | 179.9° |
| C30 | C31 | C29 | S4 | 179.5° | 180.0° |
| C31 | C30 | C28 | C25 | 179.5° | 180.0° |
| C31 | C30 | C28 | C26 | 1.6° | 0.0° |
| C30 | C31 | S4 | O2 | 105.5° | 26.1° |
| C30 | C31 | S4 | O3 | 16.3° | 154.0° |
| C30 | C31 | C29 | H29 | 179.6° | 180.0° |
| C28 | C30 | C31 | C29 | 1.2° | 0.0° |
| C28 | C30 | C31 | S4 | 179.3° | 180.0° |
| C30 | C28 | C25 | O32 | 9.1° | 0.0° |
| C30 | C28 | C25 | C26 | 177.9° | 180.0° |
| C30 | C28 | C25 | N20 | 169.8° | 180.0° |
| C30 | C28 | C26 | H26 | 178.8° | 179.9° |
| C29 | C31 | S4 | O2 | 73.9° | 153.9° |
| C29 | C31 | S4 | O3 | 164.3° | 26.0° |
| C31 | C29 | C27 | H27 | 179.9° | 179.7° |
| C29 | C31 | C30 | H30 | 178.8° | 179.9° |
| C31 | S4 | O2 | O3 | 121.4° | 116.8° |
| C31 | S4 | C1 | H1 | 157.8° | 60.0° |
| C31 | S4 | C1 | H1A | 82.2° | 180.0° |
| C31 | S4 | C1 | H1B | 37.8° | 60.0° |
| S4 | C31 | C30 | H30 | 0.6° | 0.1° |
| S4 | C31 | C29 | H29 | 0.2° | 0.0° |
| O32 | C25 | C28 | N20 | 178.9° | 180.0° |
| O32 | C25 | C28 | C26 | 173.0° | 180.0° |
| O32 | C25 | N20 | HN20 | 179.3° | 180.0° |
| C25 | C28 | C30 | H30 | 0.5° | 0.1° |
| C25 | C28 | C26 | H26 | 0.9° | 0.0° |
| C28 | C25 | N20 | HN20 | 1.9° | 0.0° |
| N20 | C25 | C28 | C26 | 8.1° | 0.0° |
| C25 | N20 | C19 | H19 | 6.9° | 64.8° |
| C25 | N20 | C19 | H19A | 129.3° | 55.1° |
| C28 | C26 | C27 | H27 | 179.7° | 179.7° |
| C26 | C28 | C30 | H30 | 178.4° | 179.9° |
| O2 | S4 | C1 | H1 | 84.0° | 171.6° |
| O2 | S4 | C1 | H1A | 36.0° | 68.4° |
| O2 | S4 | C1 | H1B | 156.0° | 51.6° |
| O3 | S4 | C1 | H1 | 35.0° | 51.6° |
| O3 | S4 | C1 | H1A | 155.0° | 68.4° |
| O3 | S4 | C1 | H1B | 85.0° | 171.6° |
| C22 | N17 | C18 | H18 | 148.3° | 120.5° |
| N17 | C22 | C23 | H23 | 106.7° | 155.1° |
| N17 | C22 | C23 | H23A | 134.8° | 81.1° |
| N17 | C22 | H22 | H22A | 121.6° | 122.3° |
| N21 | C14 | C13 | H14 | 119.4° | 120.1° |
| N21 | C14 | C15 | H15 | 84.0° | 175.0° |
| N21 | C14 | C15 | H15A | 37.7° | 54.9° |
| C14 | N21 | HN21 | HN2A | 120.0° | 123.9° |
| N21 | C14 | C13 | H13 | 78.0° | 55.0° |
| N21 | C14 | C13 | H13A | 160.1° | 175.0° |
| C13 | C14 | C15 | H15 | 35.9° | 55.0° |
| C13 | C14 | C15 | H15A | 157.6° | 65.1° |
| C13 | C14 | N21 | HN21 | 73.1° | 64.0° |
| C13 | C14 | N21 | HN2A | 47.0° | 59.9° |
| C14 | C13 | H13 | H13A | 118.2° | 120.0° |
| CL6 | C9 | C7 | H7 | 0.4° | 0.2° |
| CL6 | C9 | C11 | H11 | 0.3° | 0.1° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H11 | C11 | C12 | H12 | 0.1° | 0.1° |
| H12 | C12 | C10 | H10 | 0.4° | 0.1° |
| H15 | C15 | C14 | H14 | 156.7° | 64.9° |
| H15A | C15 | C14 | H14 | 81.7° | 174.9° |
| H18 | C18 | C19 | H19 | 57.7° | 176.1° |
| H18 | C18 | C19 | H19A | 179.9° | 63.9° |
| H18 | C18 | C24 | H24 | 84.8° | 144.3° |
| H18 | C18 | C24 | H24A | 33.3° | 21.0° |
| H19 | C19 | N20 | HN20 | 173.1° | 115.2° |
| H19A | C19 | N20 | HN20 | 50.7° | 124.9° |
| H23 | C23 | C24 | H24 | 28.7° | 35.3° |
| H23 | C23 | C24 | H24A | 146.8° | 88.0° |
| H23 | C23 | C22 | H22 | 13.3° | 36.3° |
| H23 | C23 | C22 | H22A | 131.8° | 86.1° |
| H23A | C23 | C24 | H24 | 89.8° | 159.1° |
| H23A | C23 | C24 | H24A | 28.3° | 35.8° |
| H23A | C23 | C22 | H22 | 105.2° | 160.1° |
| H23A | C23 | C22 | H22A | 13.3° | 37.8° |
| H27 | C27 | C29 | H29 | 0.1° | 0.2° |
| H27 | C27 | C26 | H26 | 0.4° | 0.2° |
| H14 | C14 | N21 | HN21 | 47.7° | 56.1° |
| H14 | C14 | N21 | HN2A | 167.8° | 180.0° |
| H14 | C14 | C13 | H13 | 162.6° | 175.1° |
| H14 | C14 | C13 | H13A | 40.7° | 65.0° |
