PRD_000987
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C4 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| O8 | C7 | sing | 1.45Å | 1.43Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C9 | O8 | sing | 1.35Å | 1.44Å | |
| N10 | C9 | sing | 1.35Å | 1.33Å | |
| O21 | C9 | doub | 1.21Å | 1.21Å | |
| C11 | N10 | sing | 1.46Å | 1.46Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| P12 | C11 | sing | 1.82Å | 1.80Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| N13 | P12 | sing | 1.68Å | 1.67Å | |
| P12 | O22 | doub | 1.48Å | 1.48Å | |
| P12 | O23 | sing | 1.61Å | 1.51Å | |
| C14 | N13 | sing | 1.47Å | 1.46Å | |
| N13 | HN13 | sing | 1.01Å | 1.00Å | |
| C20 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | O24 | doub | 1.21Å | 1.23Å | |
| C15 | N16 | sing | 1.35Å | 1.33Å | |
| N16 | C17 | sing | 1.47Å | 1.46Å | |
| N16 | HN16 | sing | 0.97Å | 1.00Å | |
| C25 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.51Å | 1.50Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | O19 | doub | 1.21Å | 1.26Å | |
| C18 | O32 | sing | 1.34Å | 1.24Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | C23 | sing | 1.53Å | 1.53Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| O23 | HO23 | sing | 0.97Å | 0.95Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C31 | C25 | sing | 1.53Å | 1.52Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C31 | H31B | sing | 1.09Å | 1.10Å | |
| O32 | HO32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C2 | 120.0° | 120.0° |
| C6 | C1 | H1 | 120.0° | 120.0° |
| C1 | C6 | C5 | 120.0° | 120.0° |
| C1 | C6 | H6 | 120.0° | 120.0° |
| C2 | C1 | H1 | 120.0° | 120.0° |
| C1 | C2 | C3 | 120.0° | 120.0° |
| C1 | C2 | H2 | 120.0° | 120.0° |
| C3 | C2 | H2 | 120.0° | 120.0° |
| C2 | C3 | C4 | 119.9° | 120.0° |
| C2 | C3 | H3 | 120.1° | 120.0° |
| C4 | C3 | H3 | 120.1° | 120.0° |
| C3 | C4 | C5 | 120.3° | 120.0° |
| C3 | C4 | C7 | 120.7° | 120.0° |
| C5 | C4 | C7 | 119.0° | 120.0° |
| C4 | C5 | C6 | 119.8° | 120.0° |
| C4 | C5 | H5 | 120.1° | 120.0° |
| C4 | C7 | O8 | 108.5° | 109.5° |
| C4 | C7 | H7 | 109.8° | 109.5° |
| C4 | C7 | H7A | 109.8° | 109.4° |
| C6 | C5 | H5 | 120.1° | 120.0° |
| C5 | C6 | H6 | 120.0° | 120.0° |
| O8 | C7 | H7 | 109.8° | 109.5° |
| O8 | C7 | H7A | 109.8° | 109.5° |
| C7 | O8 | C9 | 118.5° | 117.0° |
| H7 | C7 | H7A | 109.1° | 109.5° |
| O8 | C9 | N10 | 121.1° | 119.9° |
| O8 | C9 | O21 | 116.4° | 120.1° |
| N10 | C9 | O21 | 122.5° | 120.0° |
| C9 | N10 | C11 | 125.6° | 119.9° |
| C9 | N10 | HN10 | 117.2° | 120.0° |
| C11 | N10 | HN10 | 117.2° | 120.0° |
| N10 | C11 | P12 | 110.8° | 109.5° |
| N10 | C11 | H11 | 109.0° | 109.5° |
| N10 | C11 | H11A | 109.0° | 109.5° |
| P12 | C11 | H11 | 109.0° | 109.4° |
| P12 | C11 | H11A | 109.0° | 109.4° |
| C11 | P12 | N13 | 102.1° | 109.5° |
| C11 | P12 | O22 | 109.2° | 109.5° |
| C11 | P12 | O23 | 110.3° | 109.5° |
| H11 | C11 | H11A | 109.9° | 109.5° |
| N13 | P12 | O22 | 111.6° | 109.5° |
| N13 | P12 | O23 | 107.8° | 109.4° |
| P12 | N13 | C14 | 121.8° | 111.0° |
| P12 | N13 | HN13 | 105.6° | 111.0° |
| O22 | P12 | O23 | 115.1° | 109.5° |
| P12 | O23 | HO23 | 109.5° | 114.0° |
| C14 | N13 | HN13 | 105.5° | 111.0° |
| N13 | C14 | C20 | 105.0° | 109.5° |
| N13 | C14 | C15 | 114.1° | 109.5° |
| N13 | C14 | H14 | 109.4° | 109.4° |
| C20 | C14 | C15 | 109.4° | 109.4° |
| C20 | C14 | H14 | 114.1° | 109.5° |
| C14 | C20 | C21 | 112.7° | 109.5° |
| C14 | C20 | H20 | 108.4° | 109.5° |
| C14 | C20 | H20A | 108.4° | 109.5° |
| C15 | C14 | H14 | 105.1° | 109.5° |
| C14 | C15 | O24 | 120.2° | 120.0° |
| C14 | C15 | N16 | 117.5° | 120.0° |
| O24 | C15 | N16 | 122.4° | 120.0° |
| C15 | N16 | C17 | 118.4° | 120.0° |
| C15 | N16 | HN16 | 120.8° | 120.0° |
| C17 | N16 | HN16 | 120.8° | 120.0° |
| N16 | C17 | C25 | 111.0° | 109.5° |
| N16 | C17 | C18 | 110.2° | 109.4° |
| N16 | C17 | H17 | 108.4° | 109.5° |
| C25 | C17 | C18 | 110.9° | 109.5° |
| C25 | C17 | H17 | 107.7° | 109.5° |
| C17 | C25 | C26 | 112.3° | 109.5° |
| C17 | C25 | C31 | 112.2° | 109.5° |
| C17 | C25 | H25 | 106.1° | 109.5° |
| C18 | C17 | H17 | 108.5° | 109.5° |
| C17 | C18 | O19 | 121.3° | 120.0° |
| C17 | C18 | O32 | 116.0° | 120.0° |
| O19 | C18 | O32 | 122.7° | 120.0° |
| C18 | O32 | HO32 | 109.5° | 117.0° |
| C21 | C20 | H20 | 108.4° | 109.5° |
| C21 | C20 | H20A | 108.4° | 109.5° |
| C20 | C21 | C22 | 110.1° | 109.5° |
| C20 | C21 | C23 | 112.5° | 109.4° |
| C20 | C21 | H21 | 107.3° | 109.5° |
| H20 | C20 | H20A | 110.5° | 109.5° |
| C22 | C21 | C23 | 110.4° | 109.5° |
| C22 | C21 | H21 | 109.5° | 109.5° |
| C21 | C22 | H22 | 109.5° | 109.5° |
| C21 | C22 | H22A | 109.5° | 109.5° |
| C21 | C22 | H22B | 109.4° | 109.5° |
| C23 | C21 | H21 | 107.0° | 109.5° |
| C21 | C23 | H23 | 109.5° | 109.5° |
| C21 | C23 | H23A | 109.4° | 109.4° |
| C21 | C23 | H23B | 109.5° | 109.5° |
| H22 | C22 | H22A | 109.4° | 109.4° |
| H22 | C22 | H22B | 109.5° | 109.5° |
| H22A | C22 | H22B | 109.5° | 109.4° |
| H23 | C23 | H23A | 109.5° | 109.5° |
| H23 | C23 | H23B | 109.5° | 109.5° |
| H23A | C23 | H23B | 109.5° | 109.5° |
| C26 | C25 | C31 | 111.2° | 109.4° |
| C26 | C25 | H25 | 107.2° | 109.5° |
| C25 | C26 | H26 | 109.5° | 109.5° |
| C25 | C26 | H26A | 109.5° | 109.5° |
| C25 | C26 | H26B | 109.5° | 109.5° |
| C31 | C25 | H25 | 107.4° | 109.5° |
| C25 | C31 | H31 | 109.5° | 109.5° |
| C25 | C31 | H31A | 109.5° | 109.5° |
| C25 | C31 | H31B | 109.5° | 109.5° |
| H26 | C26 | H26A | 109.5° | 109.5° |
| H26 | C26 | H26B | 109.4° | 109.5° |
| H26A | C26 | H26B | 109.5° | 109.4° |
| H31 | C31 | H31A | 109.5° | 109.4° |
| H31 | C31 | H31B | 109.5° | 109.5° |
| H31A | C31 | H31B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C2 | H1 | 180.0° | 179.9° |
| C6 | C1 | C2 | C3 | 0.8° | 0.1° |
| C6 | C1 | C2 | H2 | 179.1° | 180.0° |
| C1 | C6 | C5 | C4 | 0.2° | 0.4° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | H5 | 179.8° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.8° | 0.3° |
| C1 | C2 | C3 | H3 | 179.2° | 179.9° |
| C2 | C1 | C6 | C5 | 0.5° | 0.1° |
| C2 | C1 | C6 | H6 | 179.5° | 180.0° |
| H1 | C1 | C2 | C3 | 179.2° | 180.0° |
| H1 | C1 | C2 | H2 | 0.8° | 0.1° |
| H1 | C1 | C6 | C5 | 179.5° | 180.0° |
| H1 | C1 | C6 | H6 | 0.5° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 179.8° |
| C2 | C3 | C4 | C5 | 0.5° | 0.6° |
| C2 | C3 | C4 | C7 | 179.6° | 180.0° |
| H2 | C2 | C3 | C4 | 179.2° | 179.7° |
| H2 | C2 | C3 | H3 | 0.8° | 0.0° |
| C3 | C4 | C5 | C7 | 179.9° | 179.4° |
| C3 | C4 | C5 | C6 | 0.1° | 0.6° |
| C3 | C4 | C5 | H5 | 179.8° | 180.0° |
| C3 | C4 | C7 | O8 | 88.4° | 90.6° |
| C3 | C4 | C7 | H7 | 151.5° | 29.4° |
| C3 | C4 | C7 | H7A | 31.6° | 149.4° |
| H3 | C3 | C4 | C5 | 179.5° | 179.6° |
| H3 | C3 | C4 | C7 | 0.4° | 0.2° |
| C4 | C5 | C6 | H5 | 180.0° | 179.4° |
| C4 | C5 | C6 | H6 | 179.8° | 179.7° |
| C5 | C4 | C7 | O8 | 91.6° | 90.0° |
| C5 | C4 | C7 | H7 | 28.4° | 150.0° |
| C5 | C4 | C7 | H7A | 148.4° | 30.0° |
| C7 | C4 | C5 | C6 | 179.9° | 180.0° |
| C7 | C4 | C5 | H5 | 0.1° | 0.6° |
| C4 | C7 | O8 | H7 | 120.0° | 120.0° |
| C4 | C7 | O8 | H7A | 120.0° | 120.0° |
| C4 | C7 | H7 | H7A | 120.4° | 120.0° |
| C4 | C7 | O8 | C9 | 131.6° | 180.0° |
| H5 | C5 | C6 | H6 | 0.2° | 0.3° |
| O8 | C7 | H7 | H7A | 120.4° | 120.0° |
| C7 | O8 | C9 | N10 | 142.3° | 180.0° |
| C7 | O8 | C9 | O21 | 38.3° | 0.0° |
| H7 | C7 | O8 | C9 | 11.6° | 60.0° |
| H7A | C7 | O8 | C9 | 108.4° | 60.0° |
| O8 | C9 | N10 | O21 | 179.4° | 179.9° |
| O8 | C9 | N10 | C11 | 179.8° | 180.0° |
| O8 | C9 | N10 | HN10 | 0.2° | 0.1° |
| C9 | N10 | C11 | HN10 | 180.0° | 179.9° |
| C9 | N10 | C11 | P12 | 152.2° | 95.0° |
| C9 | N10 | C11 | H11 | 87.8° | 145.1° |
| C9 | N10 | C11 | H11A | 32.2° | 25.0° |
| O21 | C9 | N10 | C11 | 0.4° | 0.0° |
| O21 | C9 | N10 | HN10 | 179.6° | 180.0° |
| N10 | C11 | P12 | H11 | 120.0° | 120.0° |
| N10 | C11 | P12 | H11A | 120.0° | 120.1° |
| N10 | C11 | H11 | H11A | 119.5° | 120.1° |
| N10 | C11 | P12 | N13 | 164.5° | 180.0° |
| N10 | C11 | P12 | O22 | 46.3° | 60.0° |
| N10 | C11 | P12 | O23 | 81.2° | 60.1° |
| HN10 | N10 | C11 | P12 | 27.8° | 84.9° |
| HN10 | N10 | C11 | H11 | 92.2° | 35.0° |
| HN10 | N10 | C11 | H11A | 147.8° | 155.1° |
| P12 | C11 | H11 | H11A | 119.5° | 120.0° |
| C11 | P12 | N13 | O22 | 116.5° | 120.0° |
| C11 | P12 | N13 | O23 | 116.1° | 120.0° |
| C11 | P12 | O22 | O23 | 124.7° | 120.0° |
| C11 | P12 | N13 | C14 | 131.5° | 175.1° |
| C11 | P12 | N13 | HN13 | 108.5° | 60.9° |
| C11 | P12 | O23 | HO23 | 124.1° | 60.0° |
| H11 | C11 | P12 | N13 | 44.5° | 60.0° |
| H11 | C11 | P12 | O22 | 73.7° | 60.0° |
| H11 | C11 | P12 | O23 | 158.8° | 180.0° |
| H11A | C11 | P12 | N13 | 75.5° | 60.0° |
| H11A | C11 | P12 | O22 | 166.3° | 180.0° |
| H11A | C11 | P12 | O23 | 38.8° | 60.0° |
| N13 | P12 | O22 | O23 | 123.2° | 120.0° |
| P12 | N13 | C14 | HN13 | 120.0° | 123.9° |
| P12 | N13 | C14 | C20 | 159.5° | 95.1° |
| P12 | N13 | C14 | C15 | 80.8° | 145.0° |
| P12 | N13 | C14 | H14 | 36.6° | 25.0° |
| N13 | P12 | O23 | HO23 | 125.2° | 60.0° |
| O22 | P12 | N13 | C14 | 111.9° | 64.8° |
| O22 | P12 | N13 | HN13 | 8.1° | 59.1° |
| O22 | P12 | O23 | HO23 | 0.0° | 180.0° |
| O23 | P12 | N13 | C14 | 15.4° | 55.2° |
| O23 | P12 | N13 | HN13 | 135.4° | 179.1° |
| N13 | C14 | C20 | C15 | 122.8° | 120.0° |
| N13 | C14 | C20 | H14 | 119.8° | 120.0° |
| N13 | C14 | C15 | H14 | 119.8° | 120.0° |
| N13 | C14 | C15 | O24 | 143.2° | 13.7° |
| N13 | C14 | C15 | N16 | 35.4° | 166.3° |
| N13 | C14 | C20 | C21 | 175.0° | 174.4° |
| N13 | C14 | C20 | H20 | 55.0° | 54.4° |
| N13 | C14 | C20 | H20A | 65.0° | 65.6° |
| HN13 | N13 | C14 | C20 | 39.5° | 28.9° |
| HN13 | N13 | C14 | C15 | 159.2° | 91.1° |
| HN13 | N13 | C14 | H14 | 83.4° | 148.9° |
| C20 | C14 | C15 | H14 | 122.9° | 120.0° |
| C20 | C14 | C15 | O24 | 99.6° | 106.3° |
| C20 | C14 | C15 | N16 | 81.9° | 73.7° |
| C14 | C20 | C21 | H20 | 120.0° | 120.0° |
| C14 | C20 | C21 | H20A | 120.0° | 120.0° |
| C14 | C20 | H20 | H20A | 118.6° | 120.0° |
| C14 | C20 | C21 | C22 | 166.9° | 67.0° |
| C14 | C20 | C21 | C23 | 69.5° | 173.0° |
| C14 | C20 | C21 | H21 | 47.9° | 53.0° |
| C14 | C15 | O24 | N16 | 178.5° | 180.0° |
| C14 | C15 | N16 | C17 | 178.4° | 174.8° |
| C14 | C15 | N16 | HN16 | 1.6° | 5.1° |
| C15 | C14 | C20 | C21 | 62.2° | 65.7° |
| C15 | C14 | C20 | H20 | 177.8° | 174.4° |
| C15 | C14 | C20 | H20A | 57.8° | 54.3° |
| H14 | C14 | C15 | O24 | 23.4° | 133.7° |
| H14 | C14 | C15 | N16 | 155.2° | 46.3° |
| H14 | C14 | C20 | C21 | 55.2° | 54.4° |
| H14 | C14 | C20 | H20 | 64.8° | 65.6° |
| H14 | C14 | C20 | H20A | 175.2° | 174.4° |
| O24 | C15 | N16 | C17 | 0.2° | 5.2° |
| O24 | C15 | N16 | HN16 | 179.8° | 174.9° |
| C15 | N16 | C17 | HN16 | 180.0° | 179.9° |
| C15 | N16 | C17 | C25 | 104.4° | 85.0° |
| C15 | N16 | C17 | C18 | 132.3° | 155.0° |
| C15 | N16 | C17 | H17 | 13.7° | 35.1° |
| N16 | C17 | C25 | C18 | 122.9° | 120.0° |
| N16 | C17 | C25 | H17 | 118.5° | 120.0° |
| N16 | C17 | C18 | H17 | 118.6° | 119.9° |
| N16 | C17 | C18 | O19 | 12.6° | 0.0° |
| N16 | C17 | C18 | O32 | 166.0° | 180.0° |
| N16 | C17 | C25 | C26 | 67.1° | 180.0° |
| N16 | C17 | C25 | C31 | 59.0° | 60.0° |
| N16 | C17 | C25 | H25 | 176.0° | 60.0° |
| HN16 | N16 | C17 | C25 | 75.6° | 94.9° |
| HN16 | N16 | C17 | C18 | 47.7° | 25.1° |
| HN16 | N16 | C17 | H17 | 166.3° | 145.0° |
| C25 | C17 | C18 | H17 | 118.1° | 120.0° |
| C25 | C17 | C18 | O19 | 110.8° | 120.0° |
| C25 | C17 | C18 | O32 | 70.7° | 60.0° |
| C17 | C25 | C26 | C31 | 126.7° | 120.0° |
| C17 | C25 | C26 | H25 | 116.2° | 120.1° |
| C17 | C25 | C31 | H25 | 116.2° | 120.1° |
| C17 | C25 | C26 | H26 | 180.0° | 60.0° |
| C17 | C25 | C26 | H26A | 60.0° | 180.0° |
| C17 | C25 | C26 | H26B | 60.0° | 60.0° |
| C17 | C25 | C31 | H31 | 180.0° | 60.1° |
| C17 | C25 | C31 | H31A | 60.0° | 180.0° |
| C17 | C25 | C31 | H31B | 60.0° | 60.0° |
| C17 | C18 | O19 | O32 | 178.5° | 180.0° |
| C18 | C17 | C25 | C26 | 170.0° | 60.0° |
| C18 | C17 | C25 | C31 | 63.9° | 180.0° |
| C18 | C17 | C25 | H25 | 53.1° | 60.0° |
| C17 | C18 | O32 | HO32 | 178.6° | 180.0° |
| H17 | C17 | C18 | O19 | 131.2° | 120.0° |
| H17 | C17 | C18 | O32 | 47.4° | 60.0° |
| H17 | C17 | C25 | C26 | 51.5° | 60.0° |
| H17 | C17 | C25 | C31 | 177.6° | 60.0° |
| H17 | C17 | C25 | H25 | 65.4° | 180.0° |
| O19 | C18 | O32 | HO32 | 0.0° | 0.1° |
| C21 | C20 | H20 | H20A | 118.7° | 120.0° |
| C20 | C21 | C22 | C23 | 124.8° | 120.0° |
| C20 | C21 | C22 | H21 | 117.7° | 120.0° |
| C20 | C21 | C23 | H21 | 117.5° | 120.0° |
| C20 | C21 | C22 | H22 | 180.0° | 55.8° |
| C20 | C21 | C22 | H22A | 60.0° | 64.2° |
| C20 | C21 | C22 | H22B | 60.0° | 175.9° |
| C20 | C21 | C23 | H23 | 180.0° | 60.0° |
| C20 | C21 | C23 | H23A | 60.0° | 180.0° |
| C20 | C21 | C23 | H23B | 60.0° | 60.0° |
| H20 | C20 | C21 | C22 | 73.1° | 53.0° |
| H20 | C20 | C21 | C23 | 50.5° | 67.0° |
| H20 | C20 | C21 | H21 | 167.9° | 173.0° |
| H20A | C20 | C21 | C22 | 46.9° | 173.0° |
| H20A | C20 | C21 | C23 | 170.5° | 53.0° |
| H20A | C20 | C21 | H21 | 72.2° | 67.0° |
| C22 | C21 | C23 | H21 | 119.0° | 120.1° |
| C21 | C22 | H22 | H22A | 120.0° | 120.0° |
| C21 | C22 | H22 | H22B | 120.0° | 120.0° |
| C21 | C22 | H22A | H22B | 120.0° | 120.0° |
| C22 | C21 | C23 | H23 | 56.6° | 180.0° |
| C22 | C21 | C23 | H23A | 176.6° | 60.0° |
| C22 | C21 | C23 | H23B | 63.4° | 59.9° |
| C23 | C21 | C22 | H22 | 55.2° | 175.8° |
| C23 | C21 | C22 | H22A | 64.8° | 55.8° |
| C23 | C21 | C22 | H22B | 175.2° | 64.2° |
| C21 | C23 | H23 | H23A | 120.0° | 119.9° |
| C21 | C23 | H23 | H23B | 120.0° | 120.0° |
| C21 | C23 | H23A | H23B | 120.0° | 120.0° |
| H21 | C21 | C22 | H22 | 62.3° | 64.2° |
| H21 | C21 | C22 | H22A | 177.7° | 175.8° |
| H21 | C21 | C22 | H22B | 57.7° | 55.9° |
| H21 | C21 | C23 | H23 | 62.5° | 59.9° |
| H21 | C21 | C23 | H23A | 57.6° | 60.0° |
| H21 | C21 | C23 | H23B | 177.5° | 180.0° |
| H22 | C22 | H22A | H22B | 120.0° | 119.9° |
| H23 | C23 | H23A | H23B | 120.0° | 120.1° |
| C26 | C25 | C31 | H25 | 117.0° | 120.0° |
| C25 | C26 | H26 | H26A | 120.0° | 120.0° |
| C25 | C26 | H26 | H26B | 120.0° | 120.0° |
| C25 | C26 | H26A | H26B | 120.0° | 120.0° |
| C26 | C25 | C31 | H31 | 53.2° | 180.0° |
| C26 | C25 | C31 | H31A | 66.8° | 60.0° |
| C26 | C25 | C31 | H31B | 173.2° | 60.0° |
| C31 | C25 | C26 | H26 | 53.3° | 60.0° |
| C31 | C25 | C26 | H26A | 173.3° | 60.0° |
| C31 | C25 | C26 | H26B | 66.7° | 180.0° |
| C25 | C31 | H31 | H31A | 120.0° | 120.0° |
| C25 | C31 | H31 | H31B | 120.0° | 120.1° |
| C25 | C31 | H31A | H31B | 120.0° | 120.0° |
| H25 | C25 | C26 | H26 | 63.8° | 180.0° |
| H25 | C25 | C26 | H26A | 56.2° | 59.9° |
| H25 | C25 | C26 | H26B | 176.2° | 60.0° |
| H25 | C25 | C31 | H31 | 63.8° | 60.0° |
| H25 | C25 | C31 | H31A | 176.2° | 60.0° |
| H25 | C25 | C31 | H31B | 56.2° | 179.9° |
| H26 | C26 | H26A | H26B | 120.0° | 120.0° |
| H31 | C31 | H31A | H31B | 120.0° | 120.0° |
