GRM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.57Å | |
| C1 | C3 | sing | 1.51Å | 1.60Å | |
| C1 | N4 | sing | 1.47Å | 1.60Å | |
| C3 | C23 | doub | 1.41Å | 1.46Å | Aromatic |
| C3 | C27 | sing | 1.36Å | 1.45Å | Aromatic |
| N4 | C5 | sing | 1.47Å | 1.52Å | |
| N4 | C9 | sing | 1.47Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.58Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.53Å | 1.56Å | |
| C7 | C10 | sing | 1.51Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.57Å | |
| C10 | O11 | doub | 1.21Å | 1.22Å | |
| C10 | N12 | sing | 1.35Å | 1.36Å | |
| N12 | C13 | sing | 1.46Å | 1.47Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C14 | C15 | doub | 1.38Å | 1.43Å | Aromatic |
| C14 | C19 | sing | 1.38Å | 1.44Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| C16 | O20 | sing | 1.37Å | 1.37Å | |
| C17 | C18 | sing | 1.39Å | 1.44Å | Aromatic |
| C17 | O22 | sing | 1.37Å | 1.39Å | |
| C18 | C19 | doub | 1.38Å | 1.44Å | Aromatic |
| O20 | C21 | sing | 1.44Å | 1.47Å | |
| C21 | O22 | sing | 1.44Å | 1.46Å | |
| C23 | C24 | sing | 1.42Å | 1.47Å | Aromatic |
| C23 | C28 | sing | 1.41Å | 1.43Å | Aromatic |
| C24 | C25 | doub | 1.40Å | 1.41Å | Aromatic |
| C24 | C31 | sing | 1.41Å | 1.42Å | Aromatic |
| C25 | C26 | sing | 1.36Å | 1.42Å | Aromatic |
| C26 | C27 | doub | 1.39Å | 1.41Å | Aromatic |
| C28 | C29 | doub | 1.36Å | 1.42Å | Aromatic |
| C29 | C30 | sing | 1.39Å | 1.42Å | Aromatic |
| C30 | C31 | doub | 1.36Å | 1.41Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| N12 | HN12 | sing | 0.97Å | 1.00Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 116.4° | 109.5° |
| C2 | C1 | N4 | 117.1° | 109.5° |
| C2 | C1 | H1 | 98.3° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H2A | 109.5° | 109.5° |
| C1 | C2 | H2B | 109.5° | 109.5° |
| C3 | C1 | N4 | 111.2° | 109.5° |
| C1 | C3 | C23 | 125.3° | 120.2° |
| C1 | C3 | C27 | 116.6° | 120.2° |
| C3 | C1 | H1 | 106.3° | 109.5° |
| C1 | N4 | C5 | 117.6° | 111.0° |
| C1 | N4 | C9 | 118.8° | 111.0° |
| N4 | C1 | H1 | 105.4° | 109.5° |
| C23 | C3 | C27 | 118.1° | 119.7° |
| C3 | C23 | C24 | 119.1° | 119.3° |
| C3 | C23 | C28 | 124.2° | 121.3° |
| C3 | C27 | C26 | 121.5° | 121.0° |
| C3 | C27 | H27 | 119.2° | 119.5° |
| C5 | N4 | C9 | 109.5° | 111.2° |
| N4 | C5 | C6 | 116.9° | 109.5° |
| N4 | C5 | H5 | 107.1° | 109.5° |
| N4 | C5 | H5A | 107.0° | 109.5° |
| N4 | C9 | C8 | 112.7° | 109.5° |
| N4 | C9 | H9 | 108.4° | 109.5° |
| N4 | C9 | H9A | 108.4° | 109.5° |
| C5 | C6 | C7 | 111.3° | 109.3° |
| C6 | C5 | H5 | 107.1° | 109.5° |
| C6 | C5 | H5A | 107.1° | 109.4° |
| C5 | C6 | H6 | 108.8° | 109.5° |
| C5 | C6 | H6A | 108.8° | 109.5° |
| C6 | C7 | C8 | 110.9° | 109.1° |
| C6 | C7 | C10 | 108.1° | 109.5° |
| C7 | C6 | H6 | 108.9° | 109.5° |
| C7 | C6 | H6A | 108.9° | 109.5° |
| C6 | C7 | H7 | 110.1° | 109.5° |
| C8 | C7 | C10 | 111.4° | 109.5° |
| C7 | C8 | C9 | 114.5° | 109.3° |
| C8 | C7 | H7 | 106.7° | 109.6° |
| C7 | C8 | H8 | 107.8° | 109.5° |
| C7 | C8 | H8A | 107.9° | 109.5° |
| C7 | C10 | O11 | 119.8° | 120.0° |
| C7 | C10 | N12 | 118.8° | 120.0° |
| C10 | C7 | H7 | 109.6° | 109.6° |
| C9 | C8 | H8 | 107.8° | 109.5° |
| C9 | C8 | H8A | 107.8° | 109.5° |
| C8 | C9 | H9 | 108.4° | 109.4° |
| C8 | C9 | H9A | 108.4° | 109.4° |
| O11 | C10 | N12 | 121.4° | 120.0° |
| C10 | N12 | C13 | 120.5° | 120.0° |
| C10 | N12 | HN12 | 119.8° | 119.9° |
| N12 | C13 | C14 | 110.1° | 109.4° |
| C13 | N12 | HN12 | 119.8° | 120.1° |
| N12 | C13 | H13 | 109.3° | 109.4° |
| N12 | C13 | H13A | 109.3° | 109.5° |
| C13 | C14 | C15 | 118.8° | 120.0° |
| C13 | C14 | C19 | 120.3° | 119.9° |
| C14 | C13 | H13 | 109.3° | 109.5° |
| C14 | C13 | H13A | 109.3° | 109.5° |
| C15 | C14 | C19 | 120.9° | 120.1° |
| C14 | C15 | C16 | 117.5° | 120.1° |
| C14 | C15 | H15 | 121.2° | 119.9° |
| C14 | C19 | C18 | 121.0° | 120.1° |
| C14 | C19 | H19 | 119.5° | 120.0° |
| C15 | C16 | C17 | 122.3° | 119.8° |
| C15 | C16 | O20 | 124.7° | 131.6° |
| C16 | C15 | H15 | 121.2° | 120.0° |
| C17 | C16 | O20 | 112.9° | 108.7° |
| C16 | C17 | C18 | 121.7° | 119.9° |
| C16 | C17 | O22 | 111.6° | 108.6° |
| C16 | O20 | C21 | 99.2° | 105.5° |
| C18 | C17 | O22 | 126.7° | 131.5° |
| C17 | C18 | C19 | 116.5° | 120.0° |
| C17 | C18 | H18 | 121.8° | 120.0° |
| C17 | O22 | C21 | 99.1° | 105.5° |
| C19 | C18 | H18 | 121.7° | 120.0° |
| C18 | C19 | H19 | 119.5° | 119.9° |
| O20 | C21 | O22 | 113.2° | 103.7° |
| O20 | C21 | H21 | 108.2° | 110.6° |
| O20 | C21 | H21A | 108.2° | 110.5° |
| O22 | C21 | H21 | 108.2° | 110.6° |
| O22 | C21 | H21A | 108.2° | 110.6° |
| C24 | C23 | C28 | 116.7° | 119.4° |
| C23 | C24 | C25 | 120.0° | 119.4° |
| C23 | C24 | C31 | 121.8° | 119.3° |
| C23 | C28 | C29 | 121.3° | 119.6° |
| C23 | C28 | H28 | 119.4° | 120.2° |
| C25 | C24 | C31 | 118.2° | 121.3° |
| C24 | C25 | C26 | 121.1° | 119.6° |
| C24 | C25 | H25 | 119.5° | 120.2° |
| C24 | C31 | C30 | 119.4° | 119.7° |
| C24 | C31 | H31 | 120.3° | 120.2° |
| C25 | C26 | C27 | 120.3° | 121.0° |
| C26 | C25 | H25 | 119.4° | 120.1° |
| C25 | C26 | H26 | 119.9° | 119.5° |
| C27 | C26 | H26 | 119.9° | 119.6° |
| C26 | C27 | H27 | 119.3° | 119.5° |
| C28 | C29 | C30 | 120.4° | 121.0° |
| C29 | C28 | H28 | 119.3° | 120.1° |
| C28 | C29 | H29 | 119.8° | 119.5° |
| C29 | C30 | C31 | 120.4° | 121.0° |
| C30 | C29 | H29 | 119.8° | 119.5° |
| C29 | C30 | H30 | 119.8° | 119.5° |
| C31 | C30 | H30 | 119.8° | 119.5° |
| C30 | C31 | H31 | 120.3° | 120.2° |
| H2 | C2 | H2A | 109.4° | 109.5° |
| H2 | C2 | H2B | 109.4° | 109.4° |
| H2A | C2 | H2B | 109.5° | 109.4° |
| H5 | C5 | H5A | 111.8° | 109.4° |
| H6 | C6 | H6A | 110.1° | 109.6° |
| H8 | C8 | H8A | 111.1° | 109.5° |
| H9 | C9 | H9A | 110.5° | 109.5° |
| H13 | C13 | H13A | 109.7° | 109.5° |
| H21 | C21 | H21A | 110.7° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | N4 | 137.5° | 120.0° |
| C2 | C1 | C3 | H1 | 108.2° | 120.0° |
| C2 | C1 | N4 | H1 | 108.0° | 120.0° |
| C2 | C1 | C3 | C23 | 137.6° | 85.0° |
| C2 | C1 | C3 | C27 | 43.1° | 95.3° |
| C2 | C1 | N4 | C5 | 136.7° | 60.0° |
| C2 | C1 | N4 | C9 | 0.9° | 175.8° |
| C1 | C2 | H2 | H2A | 120.0° | 120.0° |
| C1 | C2 | H2 | H2B | 120.0° | 120.0° |
| C1 | C2 | H2A | H2B | 120.0° | 120.0° |
| C3 | C1 | N4 | H1 | 114.8° | 120.0° |
| C1 | C3 | C23 | C27 | 179.2° | 179.7° |
| C3 | C1 | N4 | C5 | 0.6° | 180.0° |
| C3 | C1 | N4 | C9 | 136.3° | 55.8° |
| C1 | C3 | C23 | C24 | 179.8° | 180.0° |
| C1 | C3 | C23 | C28 | 1.0° | 0.0° |
| C1 | C3 | C27 | C26 | 179.5° | 179.8° |
| C3 | C1 | C2 | H2 | 180.0° | 60.0° |
| C3 | C1 | C2 | H2A | 60.0° | 60.0° |
| C3 | C1 | C2 | H2B | 60.0° | 180.0° |
| C1 | C3 | C27 | H27 | 0.6° | 0.0° |
| N4 | C1 | C3 | C23 | 84.8° | 155.0° |
| N4 | C1 | C3 | C27 | 94.4° | 24.7° |
| C1 | N4 | C5 | C9 | 139.5° | 124.1° |
| C1 | N4 | C5 | C6 | 172.2° | 174.1° |
| C1 | N4 | C9 | C8 | 160.7° | 174.2° |
| N4 | C1 | C2 | H2 | 45.0° | 180.0° |
| N4 | C1 | C2 | H2A | 165.0° | 60.0° |
| N4 | C1 | C2 | H2B | 75.0° | 60.0° |
| C1 | N4 | C5 | H5 | 52.2° | 65.8° |
| C1 | N4 | C5 | H5A | 67.8° | 54.2° |
| C1 | N4 | C9 | H9 | 40.7° | 54.2° |
| C1 | N4 | C9 | H9A | 79.3° | 65.8° |
| C3 | C23 | C24 | C28 | 179.2° | 180.0° |
| C3 | C23 | C24 | C25 | 0.3° | 0.0° |
| C3 | C23 | C24 | C31 | 179.3° | 180.0° |
| C23 | C3 | C27 | C26 | 0.2° | 0.5° |
| C3 | C23 | C28 | C29 | 179.0° | 180.0° |
| C23 | C3 | C1 | H1 | 29.4° | 35.0° |
| C23 | C3 | C27 | H27 | 179.9° | 179.7° |
| C3 | C23 | C28 | H28 | 1.0° | 0.1° |
| C27 | C3 | C23 | C24 | 0.5° | 0.3° |
| C27 | C3 | C23 | C28 | 179.7° | 179.7° |
| C3 | C27 | C26 | C25 | 0.5° | 0.4° |
| C3 | C27 | C26 | H27 | 180.0° | 179.9° |
| C27 | C3 | C1 | H1 | 151.4° | 144.7° |
| C3 | C27 | C26 | H26 | 179.5° | 179.7° |
| N4 | C5 | C6 | H5 | 120.0° | 120.1° |
| N4 | C5 | C6 | H5A | 120.0° | 120.0° |
| N4 | C5 | C6 | C7 | 24.9° | 59.2° |
| C5 | N4 | C9 | C8 | 60.3° | 61.8° |
| C5 | N4 | C1 | H1 | 115.4° | 60.0° |
| N4 | C5 | H5 | H5A | 116.9° | 120.0° |
| N4 | C5 | C6 | H6 | 95.1° | 179.1° |
| N4 | C5 | C6 | H6A | 144.9° | 60.8° |
| C5 | N4 | C9 | H9 | 179.6° | 178.3° |
| C5 | N4 | C9 | H9A | 59.6° | 58.2° |
| C9 | N4 | C5 | C6 | 32.6° | 61.8° |
| N4 | C9 | C8 | C7 | 28.7° | 59.2° |
| N4 | C9 | C8 | H9 | 120.0° | 120.0° |
| N4 | C9 | C8 | H9A | 120.0° | 120.0° |
| C9 | N4 | C1 | H1 | 108.9° | 64.2° |
| C9 | N4 | C5 | H5 | 87.4° | 58.3° |
| C9 | N4 | C5 | H5A | 152.7° | 178.2° |
| N4 | C9 | C8 | H8 | 148.7° | 179.1° |
| N4 | C9 | C8 | H8A | 91.3° | 60.8° |
| N4 | C9 | H9 | H9A | 118.7° | 120.0° |
| C5 | C6 | C7 | H6 | 120.0° | 119.9° |
| C5 | C6 | C7 | H6A | 120.0° | 119.9° |
| C5 | C6 | C7 | C8 | 56.4° | 57.6° |
| C5 | C6 | C7 | C10 | 178.8° | 62.2° |
| C6 | C5 | H5 | H5A | 117.0° | 119.9° |
| C5 | C6 | H6 | H6A | 119.2° | 120.1° |
| C5 | C6 | C7 | H7 | 61.5° | 177.6° |
| C6 | C7 | C8 | C10 | 120.5° | 119.8° |
| C6 | C7 | C8 | H7 | 119.9° | 119.9° |
| C6 | C7 | C10 | H7 | 120.0° | 120.2° |
| C6 | C7 | C8 | C9 | 29.7° | 57.6° |
| C6 | C7 | C10 | O11 | 97.2° | 0.1° |
| C6 | C7 | C10 | N12 | 82.3° | 180.0° |
| C7 | C6 | C5 | H5 | 144.9° | 60.9° |
| C7 | C6 | C5 | H5A | 95.0° | 179.2° |
| C7 | C6 | H6 | H6A | 119.3° | 120.1° |
| C6 | C7 | C8 | H8 | 90.3° | 177.6° |
| C6 | C7 | C8 | H8A | 149.7° | 62.3° |
| C8 | C7 | C10 | H7 | 117.9° | 120.2° |
| C7 | C8 | C9 | H8 | 120.0° | 119.9° |
| C7 | C8 | C9 | H8A | 120.0° | 120.0° |
| C8 | C7 | C10 | O11 | 25.0° | 119.7° |
| C8 | C7 | C10 | N12 | 155.6° | 60.4° |
| C8 | C7 | C6 | H6 | 63.6° | 177.6° |
| C8 | C7 | C6 | H6A | 176.4° | 62.3° |
| C7 | C8 | H8 | H8A | 118.0° | 120.1° |
| C7 | C8 | C9 | H9 | 148.7° | 179.2° |
| C7 | C8 | C9 | H9A | 91.3° | 60.8° |
| C10 | C7 | C8 | C9 | 150.2° | 62.2° |
| C7 | C10 | O11 | N12 | 179.4° | 179.9° |
| C7 | C10 | N12 | C13 | 179.6° | 180.0° |
| C10 | C7 | C6 | H6 | 58.9° | 57.7° |
| C10 | C7 | C6 | H6A | 61.2° | 177.9° |
| C10 | C7 | C8 | H8 | 30.2° | 57.8° |
| C10 | C7 | C8 | H8A | 89.8° | 177.8° |
| C7 | C10 | N12 | HN12 | 0.4° | 0.1° |
| C9 | C8 | C7 | H7 | 90.2° | 177.6° |
| C9 | C8 | H8 | H8A | 117.9° | 120.1° |
| C8 | C9 | H9 | H9A | 118.7° | 119.9° |
| O11 | C10 | N12 | C13 | 0.2° | 0.0° |
| O11 | C10 | C7 | H7 | 142.9° | 120.1° |
| O11 | C10 | N12 | HN12 | 179.9° | 180.0° |
| C10 | N12 | C13 | HN12 | 180.0° | 180.0° |
| C10 | N12 | C13 | C14 | 175.6° | 180.0° |
| N12 | C10 | C7 | H7 | 37.7° | 59.8° |
| C10 | N12 | C13 | H13 | 64.4° | 60.0° |
| C10 | N12 | C13 | H13A | 55.6° | 60.0° |
| N12 | C13 | C14 | H13 | 120.0° | 119.9° |
| N12 | C13 | C14 | H13A | 120.0° | 120.0° |
| N12 | C13 | C14 | C15 | 48.7° | 90.0° |
| N12 | C13 | C14 | C19 | 131.0° | 90.3° |
| N12 | C13 | H13 | H13A | 119.8° | 120.0° |
| C13 | C14 | C15 | C19 | 179.7° | 179.7° |
| C13 | C14 | C15 | C16 | 179.9° | 179.9° |
| C13 | C14 | C19 | C18 | 180.0° | 179.8° |
| C14 | C13 | N12 | HN12 | 4.4° | 0.0° |
| C14 | C13 | H13 | H13A | 119.8° | 120.1° |
| C13 | C14 | C15 | H15 | 0.1° | 0.1° |
| C13 | C14 | C19 | H19 | 0.0° | 0.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C14 | C15 | C16 | O20 | 179.9° | 180.0° |
| C15 | C14 | C19 | C18 | 0.3° | 0.5° |
| C15 | C14 | C13 | H13 | 168.7° | 29.9° |
| C15 | C14 | C13 | H13A | 71.3° | 150.0° |
| C15 | C14 | C19 | H19 | 179.7° | 179.7° |
| C19 | C14 | C15 | C16 | 0.2° | 0.2° |
| C14 | C19 | C18 | C17 | 0.2° | 0.5° |
| C14 | C19 | C18 | H19 | 180.0° | 179.8° |
| C19 | C14 | C13 | H13 | 11.0° | 149.8° |
| C19 | C14 | C13 | H13A | 109.0° | 29.7° |
| C19 | C14 | C15 | H15 | 179.8° | 179.8° |
| C14 | C19 | C18 | H18 | 179.9° | 179.8° |
| C15 | C16 | C17 | O20 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.0° |
| C15 | C16 | C17 | O22 | 180.0° | 180.0° |
| C15 | C16 | O20 | C21 | 168.4° | 162.7° |
| C16 | C17 | C18 | O22 | 179.7° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.3° |
| C17 | C16 | O20 | C21 | 11.5° | 17.3° |
| C16 | C17 | O22 | C21 | 11.5° | 17.3° |
| C17 | C16 | C15 | H15 | 179.9° | 180.0° |
| C16 | C17 | C18 | H18 | 179.9° | 180.0° |
| O20 | C16 | C17 | C18 | 179.7° | 180.0° |
| O20 | C16 | C17 | O22 | 0.0° | 0.0° |
| C16 | O20 | C21 | O22 | 19.7° | 27.1° |
| O20 | C16 | C15 | H15 | 0.1° | 0.0° |
| C16 | O20 | C21 | H21 | 139.7° | 145.7° |
| C16 | O20 | C21 | H21A | 100.3° | 91.4° |
| C17 | C18 | C19 | H18 | 180.0° | 179.7° |
| C18 | C17 | O22 | C21 | 168.1° | 162.7° |
| C17 | C18 | C19 | H19 | 179.8° | 179.7° |
| O22 | C17 | C18 | C19 | 179.8° | 179.7° |
| C17 | O22 | C21 | O20 | 19.6° | 27.1° |
| O22 | C17 | C18 | H18 | 0.2° | 0.0° |
| C17 | O22 | C21 | H21 | 139.6° | 145.7° |
| C17 | O22 | C21 | H21A | 100.4° | 91.4° |
| O20 | C21 | O22 | H21 | 120.0° | 118.5° |
| O20 | C21 | O22 | H21A | 120.0° | 118.5° |
| O20 | C21 | H21 | H21A | 118.5° | 122.8° |
| O22 | C21 | H21 | H21A | 118.5° | 122.9° |
| C23 | C24 | C25 | C31 | 179.6° | 180.0° |
| C23 | C24 | C25 | C26 | 0.4° | 0.0° |
| C24 | C23 | C28 | C29 | 0.2° | 0.1° |
| C23 | C24 | C31 | C30 | 0.1° | 0.1° |
| C23 | C24 | C25 | H25 | 179.6° | 180.0° |
| C24 | C23 | C28 | H28 | 179.8° | 180.0° |
| C23 | C24 | C31 | H31 | 179.8° | 180.0° |
| C28 | C23 | C24 | C25 | 179.5° | 179.9° |
| C28 | C23 | C24 | C31 | 0.0° | 0.0° |
| C23 | C28 | C29 | H28 | 180.0° | 179.9° |
| C23 | C28 | C29 | C30 | 0.6° | 0.1° |
| C23 | C28 | C29 | H29 | 179.4° | 180.0° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.8° | 0.2° |
| C25 | C24 | C31 | C30 | 179.7° | 180.0° |
| C24 | C25 | C26 | H26 | 179.2° | 180.0° |
| C25 | C24 | C31 | H31 | 0.3° | 0.1° |
| C31 | C24 | C25 | C26 | 180.0° | 180.0° |
| C24 | C31 | C30 | C29 | 0.5° | 0.1° |
| C24 | C31 | C30 | H31 | 180.0° | 179.9° |
| C31 | C24 | C25 | H25 | 0.0° | 0.1° |
| C24 | C31 | C30 | H30 | 179.4° | 179.9° |
| C25 | C26 | C27 | H26 | 180.0° | 179.8° |
| C25 | C26 | C27 | H27 | 179.4° | 179.7° |
| C27 | C26 | C25 | H25 | 179.2° | 179.8° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.7° | 0.0° |
| C28 | C29 | C30 | H30 | 179.2° | 180.0° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C30 | C29 | C28 | H28 | 179.4° | 180.0° |
| C29 | C30 | C31 | H31 | 179.4° | 180.0° |
| C31 | C30 | C29 | H29 | 179.2° | 179.9° |
| H1 | C1 | C2 | H2 | 67.1° | 60.0° |
| H1 | C1 | C2 | H2A | 52.9° | 180.0° |
| H1 | C1 | C2 | H2B | 172.9° | 60.0° |
| H2 | C2 | H2A | H2B | 120.0° | 120.0° |
| H5 | C5 | C6 | H6 | 24.9° | 59.0° |
| H5 | C5 | C6 | H6A | 95.1° | 179.2° |
| H5A | C5 | C6 | H6 | 145.0° | 60.9° |
| H5A | C5 | C6 | H6A | 25.0° | 59.3° |
| H6 | C6 | C7 | H7 | 178.5° | 62.5° |
| H6A | C6 | C7 | H7 | 58.5° | 57.6° |
| H7 | C7 | C8 | H8 | 149.8° | 62.5° |
| H7 | C7 | C8 | H8A | 29.8° | 57.6° |
| H8 | C8 | C9 | H9 | 91.3° | 60.9° |
| H8 | C8 | C9 | H9A | 28.7° | 59.1° |
| H8A | C8 | C9 | H9 | 28.7° | 59.2° |
| H8A | C8 | C9 | H9A | 148.7° | 179.2° |
| HN12 | N12 | C13 | H13 | 115.6° | 120.0° |
| HN12 | N12 | C13 | H13A | 124.4° | 120.0° |
| H18 | C18 | C19 | H19 | 0.2° | 0.0° |
| H25 | C25 | C26 | H26 | 0.8° | 0.0° |
| H26 | C26 | C27 | H27 | 0.6° | 0.1° |
| H28 | C28 | C29 | H29 | 0.6° | 0.1° |
| H29 | C29 | C30 | H30 | 0.8° | 0.1° |
| H30 | C30 | C31 | H31 | 0.6° | 0.0° |
