M51
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| C1 | C5 | doub | 1.36Å | 1.40Å | Aromatic |
| C2 | N3 | doub | 1.31Å | 1.35Å | Aromatic |
| C2 | C12 | sing | 1.51Å | 1.51Å | |
| N3 | N4 | sing | 1.40Å | 1.41Å | Aromatic |
| N4 | C5 | sing | 1.36Å | 1.35Å | Aromatic |
| N4 | C6 | sing | 1.40Å | 1.34Å | |
| C5 | N13 | sing | 1.39Å | 1.40Å | |
| C6 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| N13 | C14 | sing | 1.47Å | 1.47Å | |
| N13 | C18 | sing | 1.47Å | 1.48Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | N16 | sing | 1.47Å | 1.48Å | |
| N16 | C17 | sing | 1.47Å | 1.47Å | |
| N16 | C19 | sing | 1.47Å | 1.47Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C19 | C20 | sing | 1.54Å | 1.53Å | |
| C19 | C23 | sing | 1.55Å | 1.54Å | |
| C20 | N21 | sing | 1.47Å | 1.45Å | |
| N21 | C22 | sing | 1.48Å | 1.46Å | |
| C22 | C23 | sing | 1.55Å | 1.52Å | |
| C22 | C24 | sing | 1.51Å | 1.51Å | |
| C24 | N25 | sing | 1.35Å | 1.33Å | |
| C24 | O30 | doub | 1.21Å | 1.22Å | |
| N25 | C26 | sing | 1.46Å | 1.47Å | |
| N25 | C29 | sing | 1.48Å | 1.46Å | |
| C26 | C27 | sing | 1.55Å | 1.53Å | |
| C27 | S28 | sing | 1.84Å | 1.75Å | |
| S28 | C29 | sing | 1.84Å | 1.77Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| N21 | HN21 | sing | 1.01Å | 1.00Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C5 | 104.3° | 107.9° |
| C1 | C2 | N3 | 112.6° | 108.5° |
| C1 | C2 | C12 | 118.2° | 125.8° |
| C2 | C1 | H1 | 127.8° | 126.1° |
| C1 | C5 | N4 | 108.0° | 107.4° |
| C1 | C5 | N13 | 123.6° | 126.3° |
| C5 | C1 | H1 | 127.9° | 126.1° |
| N3 | C2 | C12 | 129.2° | 125.8° |
| C2 | N3 | N4 | 104.0° | 108.5° |
| C2 | C12 | H12 | 109.5° | 109.5° |
| C2 | C12 | H12A | 109.4° | 109.5° |
| C2 | C12 | H12B | 109.5° | 109.5° |
| N3 | N4 | C5 | 111.2° | 107.8° |
| N3 | N4 | C6 | 116.8° | 126.1° |
| C5 | N4 | C6 | 132.0° | 126.1° |
| N4 | C5 | N13 | 128.4° | 126.3° |
| N4 | C6 | C7 | 125.0° | 120.1° |
| N4 | C6 | C11 | 119.5° | 120.1° |
| C5 | N13 | C14 | 118.8° | 111.0° |
| C5 | N13 | C18 | 118.6° | 111.0° |
| C7 | C6 | C11 | 115.4° | 119.9° |
| C6 | C7 | C8 | 122.6° | 119.9° |
| C6 | C7 | H7 | 118.7° | 120.1° |
| C6 | C11 | C10 | 123.3° | 120.0° |
| C6 | C11 | H11 | 118.3° | 120.0° |
| C7 | C8 | C9 | 119.9° | 120.0° |
| C8 | C7 | H7 | 118.7° | 120.0° |
| C7 | C8 | H8 | 120.1° | 119.9° |
| C8 | C9 | C10 | 119.3° | 120.2° |
| C9 | C8 | H8 | 120.0° | 120.0° |
| C8 | C9 | H9 | 120.3° | 119.9° |
| C9 | C10 | C11 | 119.4° | 120.0° |
| C10 | C9 | H9 | 120.3° | 119.9° |
| C9 | C10 | H10 | 120.3° | 120.0° |
| C11 | C10 | H10 | 120.3° | 120.0° |
| C10 | C11 | H11 | 118.3° | 120.0° |
| C14 | N13 | C18 | 116.8° | 110.9° |
| N13 | C14 | C15 | 108.3° | 109.3° |
| N13 | C14 | H14 | 109.8° | 109.5° |
| N13 | C14 | H14A | 109.9° | 109.5° |
| N13 | C18 | C17 | 110.0° | 109.4° |
| N13 | C18 | H18 | 109.3° | 109.5° |
| N13 | C18 | H18A | 109.3° | 109.5° |
| C14 | C15 | N16 | 110.2° | 109.4° |
| C15 | C14 | H14 | 109.9° | 109.5° |
| C15 | C14 | H14A | 109.8° | 109.5° |
| C14 | C15 | H15 | 109.3° | 109.5° |
| C14 | C15 | H15A | 109.2° | 109.5° |
| C15 | N16 | C17 | 116.5° | 110.9° |
| C15 | N16 | C19 | 110.5° | 111.0° |
| N16 | C15 | H15 | 109.2° | 109.5° |
| N16 | C15 | H15A | 109.2° | 109.5° |
| C17 | N16 | C19 | 111.3° | 111.0° |
| N16 | C17 | C18 | 108.5° | 109.4° |
| N16 | C17 | H17 | 109.8° | 109.5° |
| N16 | C17 | H17A | 109.8° | 109.5° |
| N16 | C19 | C20 | 112.6° | 110.7° |
| N16 | C19 | C23 | 113.9° | 110.7° |
| N16 | C19 | H19 | 102.2° | 110.6° |
| C18 | C17 | H17 | 109.8° | 109.5° |
| C18 | C17 | H17A | 109.8° | 109.5° |
| C17 | C18 | H18 | 109.3° | 109.5° |
| C17 | C18 | H18A | 109.3° | 109.4° |
| C20 | C19 | C23 | 102.3° | 103.0° |
| C19 | C20 | N21 | 102.4° | 107.2° |
| C20 | C19 | H19 | 113.8° | 110.7° |
| C19 | C20 | H20 | 111.9° | 109.9° |
| C19 | C20 | H20A | 111.9° | 109.8° |
| C19 | C23 | C22 | 102.6° | 101.7° |
| C23 | C19 | H19 | 112.5° | 110.9° |
| C19 | C23 | H23 | 111.8° | 111.0° |
| C19 | C23 | H23A | 111.8° | 111.0° |
| C20 | N21 | C22 | 113.5° | 108.6° |
| N21 | C20 | H20 | 111.9° | 109.9° |
| N21 | C20 | H20A | 111.9° | 109.9° |
| C20 | N21 | HN21 | 108.1° | 111.0° |
| N21 | C22 | C23 | 102.0° | 104.8° |
| N21 | C22 | C24 | 113.2° | 110.4° |
| C22 | N21 | HN21 | 108.2° | 110.9° |
| N21 | C22 | H22 | 113.8° | 110.3° |
| C23 | C22 | C24 | 114.5° | 110.4° |
| C23 | C22 | H22 | 112.6° | 110.4° |
| C22 | C23 | H23 | 111.8° | 111.0° |
| C22 | C23 | H23A | 111.8° | 111.0° |
| C22 | C24 | N25 | 119.4° | 120.0° |
| C22 | C24 | O30 | 119.7° | 120.0° |
| C24 | C22 | H22 | 101.2° | 110.5° |
| N25 | C24 | O30 | 120.9° | 120.0° |
| C24 | N25 | C26 | 122.4° | 122.4° |
| C24 | N25 | C29 | 122.8° | 122.4° |
| C26 | N25 | C29 | 114.8° | 115.2° |
| N25 | C26 | C27 | 111.6° | 113.2° |
| N25 | C26 | H26 | 108.7° | 108.8° |
| N25 | C26 | H26A | 108.8° | 108.8° |
| N25 | C29 | S28 | 104.7° | 102.5° |
| N25 | C29 | H29 | 111.1° | 110.8° |
| N25 | C29 | H29A | 111.1° | 110.8° |
| C26 | C27 | S28 | 104.0° | 101.3° |
| C27 | C26 | H26 | 108.8° | 108.7° |
| C27 | C26 | H26A | 108.8° | 108.7° |
| C26 | C27 | H27 | 111.3° | 111.1° |
| C26 | C27 | H27A | 111.3° | 111.1° |
| C27 | S28 | C29 | 97.9° | 93.8° |
| S28 | C27 | H27 | 111.3° | 111.0° |
| S28 | C27 | H27A | 111.3° | 111.0° |
| S28 | C29 | H29 | 111.1° | 110.9° |
| S28 | C29 | H29A | 111.1° | 110.8° |
| H12 | C12 | H12A | 109.5° | 109.4° |
| H12 | C12 | H12B | 109.5° | 109.4° |
| H12A | C12 | H12B | 109.5° | 109.4° |
| H14 | C14 | H14A | 109.1° | 109.5° |
| H15 | C15 | H15A | 109.7° | 109.5° |
| H17 | C17 | H17A | 109.1° | 109.5° |
| H18 | C18 | H18A | 109.7° | 109.5° |
| H20 | C20 | H20A | 106.9° | 110.1° |
| H23 | C23 | H23A | 107.0° | 110.9° |
| H26 | C26 | H26A | 110.2° | 108.6° |
| H27 | C27 | H27A | 107.6° | 111.0° |
| H29 | C29 | H29A | 107.8° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C5 | H1 | 180.0° | 179.8° |
| C1 | C2 | N3 | C12 | 180.0° | 179.9° |
| C1 | C2 | N3 | N4 | 0.3° | 0.0° |
| C2 | C1 | C5 | N4 | 1.0° | 0.0° |
| C2 | C1 | C5 | N13 | 180.0° | 180.0° |
| C1 | C2 | C12 | H12 | 179.9° | 90.0° |
| C1 | C2 | C12 | H12A | 60.0° | 150.0° |
| C1 | C2 | C12 | H12B | 60.0° | 30.0° |
| C5 | C1 | C2 | N3 | 0.4° | 0.0° |
| C5 | C1 | C2 | C12 | 179.6° | 180.0° |
| C1 | C5 | N4 | N3 | 1.2° | 0.0° |
| C1 | C5 | N4 | N13 | 179.0° | 180.0° |
| C1 | C5 | N4 | C6 | 179.1° | 180.0° |
| C1 | C5 | N13 | C14 | 127.8° | 58.7° |
| C1 | C5 | N13 | C18 | 24.6° | 65.2° |
| C2 | N3 | N4 | C5 | 0.9° | 0.0° |
| C2 | N3 | N4 | C6 | 179.1° | 180.0° |
| N3 | C2 | C1 | H1 | 179.6° | 179.8° |
| N3 | C2 | C12 | H12 | 0.0° | 90.1° |
| N3 | C2 | C12 | H12A | 120.0° | 29.9° |
| N3 | C2 | C12 | H12B | 120.0° | 149.9° |
| C12 | C2 | N3 | N4 | 179.7° | 179.9° |
| C12 | C2 | C1 | H1 | 0.4° | 0.3° |
| C2 | C12 | H12 | H12A | 120.0° | 120.1° |
| C2 | C12 | H12 | H12B | 120.0° | 120.1° |
| C2 | C12 | H12A | H12B | 120.0° | 120.1° |
| N3 | N4 | C5 | C6 | 177.9° | 180.0° |
| N3 | N4 | C5 | N13 | 179.8° | 180.0° |
| N3 | N4 | C6 | C7 | 136.4° | 139.3° |
| N3 | N4 | C6 | C11 | 39.5° | 40.4° |
| C5 | N4 | C6 | C7 | 41.4° | 40.7° |
| C5 | N4 | C6 | C11 | 142.7° | 139.6° |
| N4 | C5 | N13 | C14 | 51.0° | 121.3° |
| N4 | C5 | N13 | C18 | 156.5° | 114.9° |
| N4 | C5 | C1 | H1 | 179.1° | 179.8° |
| C6 | N4 | C5 | N13 | 1.9° | 0.0° |
| N4 | C6 | C7 | C11 | 176.1° | 179.7° |
| N4 | C6 | C7 | C8 | 178.7° | 180.0° |
| N4 | C6 | C11 | C10 | 178.1° | 179.8° |
| N4 | C6 | C7 | H7 | 1.3° | 0.0° |
| N4 | C6 | C11 | H11 | 1.8° | 0.0° |
| C5 | N13 | C14 | C18 | 152.9° | 123.9° |
| C5 | N13 | C14 | C15 | 152.1° | 176.8° |
| C5 | N13 | C18 | C17 | 151.7° | 176.8° |
| N13 | C5 | C1 | H1 | 0.0° | 0.2° |
| C5 | N13 | C14 | H14 | 87.9° | 63.2° |
| C5 | N13 | C14 | H14A | 32.1° | 56.9° |
| C5 | N13 | C18 | H18 | 31.7° | 56.8° |
| C5 | N13 | C18 | H18A | 88.3° | 63.3° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 1.9° | 0.0° |
| C7 | C6 | C11 | C10 | 1.8° | 0.5° |
| C6 | C7 | C8 | H8 | 178.0° | 180.0° |
| C7 | C6 | C11 | H11 | 178.1° | 179.7° |
| C11 | C6 | C7 | C8 | 2.6° | 0.2° |
| C6 | C11 | C10 | C9 | 0.4° | 0.5° |
| C6 | C11 | C10 | H11 | 180.0° | 179.8° |
| C11 | C6 | C7 | H7 | 177.4° | 179.8° |
| C6 | C11 | C10 | H10 | 179.6° | 179.8° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.3° | 0.0° |
| C7 | C8 | C9 | H9 | 179.7° | 180.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.4° | 0.3° |
| C9 | C8 | C7 | H7 | 178.0° | 180.0° |
| C8 | C9 | C10 | H10 | 179.6° | 180.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.7° |
| C10 | C9 | C8 | H8 | 179.7° | 180.0° |
| C9 | C10 | C11 | H11 | 179.6° | 179.7° |
| C11 | C10 | C9 | H9 | 179.6° | 179.7° |
| N13 | C14 | C15 | H14 | 120.0° | 119.9° |
| N13 | C14 | C15 | H14A | 120.0° | 119.9° |
| N13 | C14 | C15 | N16 | 51.7° | 58.4° |
| C14 | N13 | C18 | C17 | 55.3° | 59.3° |
| N13 | C14 | H14 | H14A | 120.5° | 120.0° |
| N13 | C14 | C15 | H15 | 171.7° | 178.4° |
| N13 | C14 | C15 | H15A | 68.3° | 61.6° |
| C14 | N13 | C18 | H18 | 175.4° | 179.3° |
| C14 | N13 | C18 | H18A | 64.6° | 60.6° |
| C18 | N13 | C14 | C15 | 55.0° | 59.3° |
| N13 | C18 | C17 | N16 | 50.8° | 58.4° |
| N13 | C18 | C17 | H18 | 120.0° | 120.0° |
| N13 | C18 | C17 | H18A | 120.0° | 119.9° |
| C18 | N13 | C14 | H14 | 65.0° | 60.6° |
| C18 | N13 | C14 | H14A | 175.0° | 179.3° |
| N13 | C18 | C17 | H17 | 170.8° | 178.4° |
| N13 | C18 | C17 | H17A | 69.2° | 61.6° |
| N13 | C18 | H18 | H18A | 119.8° | 120.1° |
| C14 | C15 | N16 | H15 | 120.0° | 119.9° |
| C14 | C15 | N16 | H15A | 120.0° | 120.0° |
| C14 | C15 | N16 | C17 | 56.4° | 59.3° |
| C14 | C15 | N16 | C19 | 175.2° | 176.8° |
| C15 | C14 | H14 | H14A | 120.5° | 120.1° |
| C14 | C15 | H15 | H15A | 119.7° | 120.1° |
| C15 | N16 | C17 | C19 | 128.0° | 123.9° |
| C15 | N16 | C17 | C18 | 55.1° | 59.3° |
| C15 | N16 | C19 | C20 | 48.3° | 61.5° |
| C15 | N16 | C19 | C23 | 164.2° | 175.0° |
| N16 | C15 | C14 | H14 | 68.3° | 61.5° |
| N16 | C15 | C14 | H14A | 171.7° | 178.3° |
| N16 | C15 | H15 | H15A | 119.7° | 120.0° |
| C15 | N16 | C17 | H17 | 175.1° | 179.3° |
| C15 | N16 | C17 | H17A | 65.0° | 60.7° |
| C15 | N16 | C19 | H19 | 74.1° | 61.7° |
| N16 | C17 | C18 | H17 | 120.0° | 120.0° |
| N16 | C17 | C18 | H17A | 120.0° | 120.0° |
| C17 | N16 | C19 | C20 | 179.5° | 174.7° |
| C17 | N16 | C19 | C23 | 64.6° | 61.2° |
| C17 | N16 | C15 | H15 | 176.4° | 179.2° |
| C17 | N16 | C15 | H15A | 63.6° | 60.7° |
| N16 | C17 | H17 | H17A | 120.4° | 120.0° |
| N16 | C17 | C18 | H18 | 170.8° | 178.4° |
| N16 | C17 | C18 | H18A | 69.2° | 61.6° |
| C17 | N16 | C19 | H19 | 57.0° | 62.1° |
| C19 | N16 | C17 | C18 | 176.9° | 176.8° |
| N16 | C19 | C20 | C23 | 122.6° | 118.3° |
| N16 | C19 | C20 | H19 | 115.7° | 123.1° |
| N16 | C19 | C23 | H19 | 115.7° | 123.1° |
| N16 | C19 | C20 | N21 | 155.5° | 140.7° |
| N16 | C19 | C23 | C22 | 163.6° | 154.0° |
| C19 | N16 | C15 | H15 | 55.2° | 56.8° |
| C19 | N16 | C15 | H15A | 64.8° | 63.2° |
| C19 | N16 | C17 | H17 | 56.9° | 56.8° |
| C19 | N16 | C17 | H17A | 63.0° | 63.2° |
| N16 | C19 | C20 | H20 | 35.5° | 21.3° |
| N16 | C19 | C20 | H20A | 84.5° | 99.9° |
| N16 | C19 | C23 | H23 | 76.4° | 87.9° |
| N16 | C19 | C23 | H23A | 43.6° | 35.9° |
| C18 | C17 | H17 | H17A | 120.4° | 120.0° |
| C17 | C18 | H18 | H18A | 119.8° | 120.0° |
| C20 | C19 | C23 | H19 | 122.5° | 118.5° |
| C19 | C20 | N21 | H20 | 120.0° | 119.4° |
| C19 | C20 | N21 | H20A | 120.0° | 119.3° |
| C19 | C20 | N21 | C22 | 12.3° | 1.0° |
| C20 | C19 | C23 | C22 | 41.8° | 35.7° |
| C19 | C20 | H20 | H20A | 122.8° | 121.1° |
| C19 | C20 | N21 | HN21 | 132.3° | 121.3° |
| C20 | C19 | C23 | H23 | 161.8° | 153.8° |
| C20 | C19 | C23 | H23A | 78.2° | 82.4° |
| C23 | C19 | C20 | N21 | 32.9° | 22.3° |
| C19 | C23 | C22 | N21 | 33.7° | 37.1° |
| C19 | C23 | C22 | H23 | 120.0° | 118.1° |
| C19 | C23 | C22 | H23A | 120.0° | 118.1° |
| C19 | C23 | C22 | C24 | 156.4° | 155.9° |
| C23 | C19 | C20 | H20 | 87.2° | 97.1° |
| C23 | C19 | C20 | H20A | 152.9° | 141.7° |
| C19 | C23 | C22 | H22 | 88.7° | 81.7° |
| C19 | C23 | H23 | H23A | 122.8° | 123.8° |
| C20 | N21 | C22 | HN21 | 120.0° | 122.3° |
| C20 | N21 | C22 | C23 | 13.7° | 24.1° |
| C20 | N21 | C22 | C24 | 137.2° | 142.9° |
| N21 | C20 | C19 | H19 | 88.8° | 96.3° |
| N21 | C20 | H20 | H20A | 122.9° | 121.2° |
| C20 | N21 | C22 | H22 | 107.9° | 94.7° |
| N21 | C22 | C23 | C24 | 122.7° | 118.8° |
| N21 | C22 | C23 | H22 | 122.4° | 118.8° |
| N21 | C22 | C24 | H22 | 122.3° | 122.3° |
| N21 | C22 | C24 | N25 | 148.4° | 161.5° |
| N21 | C22 | C24 | O30 | 29.8° | 18.5° |
| C22 | N21 | C20 | H20 | 107.7° | 120.3° |
| C22 | N21 | C20 | H20A | 132.3° | 118.4° |
| N21 | C22 | C23 | H23 | 153.7° | 155.2° |
| N21 | C22 | C23 | H23A | 86.3° | 81.0° |
| C23 | C22 | C24 | H22 | 121.4° | 122.3° |
| C23 | C22 | C24 | N25 | 95.3° | 83.2° |
| C23 | C22 | C24 | O30 | 86.6° | 96.8° |
| C22 | C23 | C19 | H19 | 80.7° | 82.8° |
| C23 | C22 | N21 | HN21 | 106.4° | 98.2° |
| C22 | C23 | H23 | H23A | 122.8° | 123.9° |
| C22 | C24 | N25 | O30 | 178.1° | 180.0° |
| C22 | C24 | N25 | C26 | 2.3° | 180.0° |
| C22 | C24 | N25 | C29 | 177.9° | 0.3° |
| C24 | C22 | N21 | HN21 | 17.1° | 20.6° |
| C24 | C22 | C23 | H23 | 83.6° | 86.0° |
| C24 | C22 | C23 | H23A | 36.4° | 37.8° |
| C24 | N25 | C26 | C29 | 179.9° | 179.6° |
| C24 | N25 | C26 | C27 | 178.5° | 179.0° |
| C24 | N25 | C29 | S28 | 164.4° | 155.2° |
| N25 | C24 | C22 | H22 | 26.1° | 39.2° |
| C24 | N25 | C26 | H26 | 58.5° | 58.0° |
| C24 | N25 | C26 | H26A | 61.5° | 60.1° |
| C24 | N25 | C29 | H29 | 44.4° | 86.5° |
| C24 | N25 | C29 | H29A | 75.6° | 37.0° |
| O30 | C24 | N25 | C26 | 179.6° | 0.1° |
| O30 | C24 | N25 | C29 | 0.2° | 179.7° |
| O30 | C24 | C22 | H22 | 152.0° | 140.8° |
| N25 | C26 | C27 | H26 | 120.0° | 121.0° |
| N25 | C26 | C27 | H26A | 120.0° | 121.0° |
| N25 | C26 | C27 | S28 | 18.0° | 23.1° |
| C26 | N25 | C29 | S28 | 15.5° | 25.2° |
| N25 | C26 | H26 | H26A | 119.1° | 118.2° |
| N25 | C26 | C27 | H27 | 101.9° | 141.0° |
| N25 | C26 | C27 | H27A | 138.0° | 94.9° |
| C26 | N25 | C29 | H29 | 135.5° | 93.1° |
| C26 | N25 | C29 | H29A | 104.6° | 143.4° |
| C29 | N25 | C26 | C27 | 1.6° | 1.4° |
| N25 | C29 | S28 | C27 | 23.6° | 33.7° |
| N25 | C29 | S28 | H29 | 120.0° | 118.3° |
| N25 | C29 | S28 | H29A | 120.0° | 118.2° |
| C29 | N25 | C26 | H26 | 121.6° | 122.4° |
| C29 | N25 | C26 | H26A | 118.4° | 119.6° |
| N25 | C29 | H29 | H29A | 121.9° | 123.4° |
| C26 | C27 | S28 | H27 | 120.0° | 118.0° |
| C26 | C27 | S28 | H27A | 120.0° | 118.0° |
| C26 | C27 | S28 | C29 | 24.1° | 32.4° |
| C27 | C26 | H26 | H26A | 119.1° | 118.1° |
| C26 | C27 | H27 | H27A | 122.2° | 124.1° |
| S28 | C27 | C26 | H26 | 138.0° | 97.9° |
| S28 | C27 | C26 | H26A | 102.0° | 144.0° |
| S28 | C27 | H27 | H27A | 122.2° | 124.0° |
| C27 | S28 | C29 | H29 | 143.5° | 84.6° |
| C27 | S28 | C29 | H29A | 96.4° | 151.9° |
| C29 | S28 | C27 | H27 | 95.9° | 150.4° |
| C29 | S28 | C27 | H27A | 144.1° | 85.6° |
| S28 | C29 | H29 | H29A | 122.0° | 123.5° |
| H7 | C7 | C8 | H8 | 2.0° | 0.0° |
| H8 | C8 | C9 | H9 | 0.3° | 0.0° |
| H9 | C9 | C10 | H10 | 0.4° | 0.0° |
| H10 | C10 | C11 | H11 | 0.4° | 0.0° |
| H12 | C12 | H12A | H12B | 120.0° | 119.9° |
| H14 | C14 | C15 | H15 | 51.7° | 58.4° |
| H14 | C14 | C15 | H15A | 171.7° | 178.5° |
| H14A | C14 | C15 | H15 | 68.3° | 61.7° |
| H14A | C14 | C15 | H15A | 51.7° | 58.3° |
| H17 | C17 | C18 | H18 | 69.2° | 61.6° |
| H17 | C17 | C18 | H18A | 50.8° | 58.4° |
| H17A | C17 | C18 | H18 | 50.8° | 58.4° |
| H17A | C17 | C18 | H18A | 170.8° | 178.5° |
| H19 | C19 | C20 | H20 | 151.2° | 144.3° |
| H19 | C19 | C20 | H20A | 31.2° | 23.1° |
| H19 | C19 | C23 | H23 | 39.3° | 35.3° |
| H19 | C19 | C23 | H23A | 159.3° | 159.1° |
| H20 | C20 | N21 | HN21 | 12.3° | 1.9° |
| H20A | C20 | N21 | HN21 | 107.7° | 119.4° |
| HN21 | N21 | C22 | H22 | 132.0° | 143.0° |
| H22 | C22 | C23 | H23 | 31.3° | 36.4° |
| H22 | C22 | C23 | H23A | 151.3° | 160.2° |
| H26 | C26 | C27 | H27 | 18.0° | 20.1° |
| H26 | C26 | C27 | H27A | 102.0° | 144.1° |
| H26A | C26 | C27 | H27 | 138.0° | 98.0° |
| H26A | C26 | C27 | H27A | 18.0° | 26.1° |
