PRD_000653
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C63 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C61 | C63 | sing | 1.38Å | 1.40Å | Aromatic |
| C63 | H63 | sing | 1.08Å | 1.08Å | |
| C61 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C61 | H61 | sing | 1.08Å | 1.08Å | |
| C7 | C6 | sing | 1.51Å | 1.54Å | |
| C6 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| O8 | C7 | sing | 1.45Å | 1.45Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C9 | O8 | sing | 1.35Å | 1.33Å | |
| N11 | C9 | sing | 1.35Å | 1.34Å | |
| O10 | C9 | doub | 1.22Å | 1.23Å | |
| C12 | N11 | sing | 1.47Å | 1.43Å | |
| N11 | HN11 | sing | 0.97Å | 1.00Å | |
| P13 | C12 | sing | 1.82Å | 1.82Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| N14 | P13 | sing | 1.68Å | 1.65Å | |
| P13 | O54 | doub | 1.48Å | 1.49Å | |
| P13 | O55 | sing | 1.61Å | 1.49Å | |
| O55 | HO55 | sing | 0.97Å | 0.95Å | |
| C15 | N14 | sing | 1.47Å | 1.47Å | |
| N14 | HN14 | sing | 1.01Å | 1.00Å | |
| C38 | C15 | sing | 1.53Å | 1.57Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C41 | C38 | sing | 1.51Å | 1.53Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C42 | C41 | doub | 1.38Å | 1.40Å | Aromatic |
| C41 | C50 | sing | 1.38Å | 1.39Å | Aromatic |
| C48 | C50 | doub | 1.38Å | 1.39Å | Aromatic |
| C50 | H50 | sing | 1.08Å | 1.08Å | |
| C46 | C48 | sing | 1.38Å | 1.39Å | Aromatic |
| C48 | H48 | sing | 1.08Å | 1.08Å | |
| C44 | C46 | doub | 1.38Å | 1.40Å | Aromatic |
| C46 | H46 | sing | 1.08Å | 1.08Å | |
| C44 | C42 | sing | 1.38Å | 1.40Å | Aromatic |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| O17 | C16 | doub | 1.21Å | 1.23Å | |
| C16 | N18 | sing | 1.35Å | 1.34Å | |
| N18 | C19 | sing | 1.46Å | 1.46Å | |
| N18 | HN18 | sing | 0.97Å | 1.00Å | |
| C20 | C19 | sing | 1.53Å | 1.56Å | |
| C19 | C33 | sing | 1.51Å | 1.51Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C33 | O34 | doub | 1.21Å | 1.27Å | |
| C33 | O35 | sing | 1.34Å | 1.27Å | |
| O35 | HO35 | sing | 0.97Å | 0.95Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C26 | C21 | sing | 1.53Å | 1.57Å | |
| C22 | C21 | sing | 1.53Å | 1.57Å | |
| C21 | H21 | 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 | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C4 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C63 | C1 | C2 | 120.2° | 120.0° |
| C63 | C1 | H1 | 119.9° | 120.0° |
| C1 | C63 | C61 | 120.0° | 120.0° |
| C1 | C63 | H63 | 120.0° | 120.0° |
| C2 | C1 | H1 | 119.9° | 120.0° |
| C1 | C2 | C4 | 119.5° | 120.0° |
| C1 | C2 | H2 | 120.2° | 120.1° |
| C61 | C63 | H63 | 120.0° | 119.9° |
| C63 | C61 | C6 | 120.0° | 120.0° |
| C63 | C61 | H61 | 120.0° | 120.0° |
| C6 | C61 | H61 | 120.0° | 120.0° |
| C61 | C6 | C7 | 119.5° | 120.0° |
| C61 | C6 | C4 | 119.7° | 120.0° |
| C7 | C6 | C4 | 120.6° | 120.0° |
| C6 | C7 | O8 | 108.5° | 109.4° |
| C6 | C7 | H7 | 109.8° | 109.4° |
| C6 | C7 | H7A | 109.8° | 109.5° |
| C6 | C4 | C2 | 120.4° | 120.0° |
| C6 | C4 | H4 | 119.8° | 120.1° |
| O8 | C7 | H7 | 109.8° | 109.5° |
| O8 | C7 | H7A | 109.8° | 109.5° |
| C7 | O8 | C9 | 116.0° | 117.0° |
| H7 | C7 | H7A | 109.1° | 109.5° |
| O8 | C9 | N11 | 113.2° | 120.0° |
| O8 | C9 | O10 | 126.5° | 120.0° |
| N11 | C9 | O10 | 120.3° | 120.0° |
| C9 | N11 | C12 | 118.5° | 120.0° |
| C9 | N11 | HN11 | 120.7° | 120.0° |
| C12 | N11 | HN11 | 120.7° | 120.0° |
| N11 | C12 | P13 | 111.2° | 109.5° |
| N11 | C12 | H12 | 108.9° | 109.5° |
| N11 | C12 | H12A | 108.9° | 109.4° |
| P13 | C12 | H12 | 108.9° | 109.5° |
| P13 | C12 | H12A | 108.9° | 109.5° |
| C12 | P13 | N14 | 101.1° | 109.5° |
| C12 | P13 | O54 | 108.7° | 109.5° |
| C12 | P13 | O55 | 112.0° | 109.5° |
| H12 | C12 | H12A | 110.0° | 109.5° |
| N14 | P13 | O54 | 112.0° | 109.5° |
| N14 | P13 | O55 | 109.9° | 109.5° |
| P13 | N14 | C15 | 120.1° | 111.0° |
| P13 | N14 | HN14 | 106.1° | 111.0° |
| O54 | P13 | O55 | 112.6° | 109.4° |
| P13 | O55 | HO55 | 109.5° | 114.0° |
| C15 | N14 | HN14 | 106.1° | 111.0° |
| N14 | C15 | C38 | 107.5° | 109.5° |
| N14 | C15 | C16 | 111.7° | 109.5° |
| N14 | C15 | H15 | 108.8° | 109.5° |
| C38 | C15 | C16 | 107.7° | 109.5° |
| C38 | C15 | H15 | 112.7° | 109.5° |
| C15 | C38 | C41 | 112.0° | 109.5° |
| C15 | C38 | H38 | 108.6° | 109.5° |
| C15 | C38 | H38A | 108.6° | 109.5° |
| C16 | C15 | H15 | 108.6° | 109.5° |
| C15 | C16 | O17 | 121.0° | 119.9° |
| C15 | C16 | N18 | 119.4° | 120.0° |
| C41 | C38 | H38 | 108.6° | 109.5° |
| C41 | C38 | H38A | 108.7° | 109.4° |
| C38 | C41 | C42 | 118.0° | 120.0° |
| C38 | C41 | C50 | 120.8° | 120.0° |
| H38 | C38 | H38A | 110.3° | 109.5° |
| C42 | C41 | C50 | 121.3° | 120.0° |
| C41 | C42 | C44 | 118.8° | 120.0° |
| C41 | C42 | H42 | 120.6° | 120.0° |
| C41 | C50 | C48 | 119.5° | 120.0° |
| C41 | C50 | H50 | 120.3° | 120.0° |
| C48 | C50 | H50 | 120.2° | 120.0° |
| C50 | C48 | C46 | 120.1° | 120.0° |
| C50 | C48 | H48 | 119.9° | 120.0° |
| C46 | C48 | H48 | 120.0° | 120.0° |
| C48 | C46 | C44 | 120.6° | 120.0° |
| C48 | C46 | H46 | 119.7° | 120.0° |
| C44 | C46 | H46 | 119.7° | 120.0° |
| C46 | C44 | C42 | 119.7° | 120.0° |
| C46 | C44 | H44 | 120.2° | 120.0° |
| C42 | C44 | H44 | 120.1° | 120.0° |
| C44 | C42 | H42 | 120.6° | 119.9° |
| O17 | C16 | N18 | 119.7° | 120.0° |
| C16 | N18 | C19 | 123.1° | 120.0° |
| C16 | N18 | HN18 | 118.5° | 120.0° |
| C19 | N18 | HN18 | 118.4° | 120.0° |
| N18 | C19 | C20 | 106.7° | 109.5° |
| N18 | C19 | C33 | 112.0° | 109.5° |
| N18 | C19 | H19 | 111.9° | 109.5° |
| C20 | C19 | C33 | 115.2° | 109.4° |
| C20 | C19 | H19 | 108.4° | 109.4° |
| C19 | C20 | C21 | 116.1° | 109.5° |
| C19 | C20 | H20 | 107.3° | 109.5° |
| C19 | C20 | H20A | 107.4° | 109.5° |
| C33 | C19 | H19 | 102.7° | 109.5° |
| C19 | C33 | O34 | 118.5° | 119.9° |
| C19 | C33 | O35 | 120.7° | 120.0° |
| O34 | C33 | O35 | 120.9° | 120.0° |
| C33 | O35 | HO35 | 109.5° | 117.0° |
| C21 | C20 | H20 | 107.4° | 109.5° |
| C21 | C20 | H20A | 107.3° | 109.5° |
| C20 | C21 | C26 | 110.0° | 109.5° |
| C20 | C21 | C22 | 108.8° | 109.5° |
| C20 | C21 | H21 | 109.5° | 109.4° |
| H20 | C20 | H20A | 111.5° | 109.5° |
| C26 | C21 | C22 | 109.3° | 109.5° |
| C26 | C21 | H21 | 109.0° | 109.4° |
| C21 | C26 | H26 | 109.5° | 109.4° |
| C21 | C26 | H26A | 109.5° | 109.5° |
| C21 | C26 | H26B | 109.5° | 109.5° |
| C22 | C21 | H21 | 110.2° | 109.5° |
| C21 | C22 | H22 | 109.5° | 109.5° |
| C21 | C22 | H22A | 109.5° | 109.5° |
| C21 | C22 | H22B | 109.5° | 109.5° |
| H26 | C26 | H26A | 109.5° | 109.4° |
| H26 | C26 | H26B | 109.5° | 109.4° |
| H26A | C26 | H26B | 109.5° | 109.5° |
| H22 | C22 | H22A | 109.5° | 109.5° |
| H22 | C22 | H22B | 109.4° | 109.5° |
| H22A | C22 | H22B | 109.5° | 109.4° |
| C2 | C4 | H4 | 119.8° | 120.0° |
| C4 | C2 | H2 | 120.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C63 | C1 | C2 | H1 | 180.0° | 179.8° |
| C1 | C63 | C61 | H63 | 180.0° | 179.9° |
| C1 | C63 | C61 | C6 | 3.4° | 0.0° |
| C1 | C63 | C61 | H61 | 176.6° | 179.9° |
| C63 | C1 | C2 | C4 | 2.3° | 0.1° |
| C63 | C1 | C2 | H2 | 177.7° | 179.7° |
| C2 | C1 | C63 | C61 | 3.9° | 0.0° |
| C2 | C1 | C63 | H63 | 176.1° | 180.0° |
| C1 | C2 | C4 | C6 | 0.2° | 0.2° |
| C1 | C2 | C4 | H2 | 180.0° | 179.6° |
| C1 | C2 | C4 | H4 | 179.8° | 180.0° |
| H1 | C1 | C63 | C61 | 176.1° | 179.8° |
| H1 | C1 | C63 | H63 | 3.9° | 0.3° |
| H1 | C1 | C2 | C4 | 177.7° | 179.7° |
| H1 | C1 | C2 | H2 | 2.3° | 0.1° |
| C63 | C61 | C6 | H61 | 180.0° | 180.0° |
| C63 | C61 | C6 | C7 | 174.0° | 180.0° |
| C63 | C61 | C6 | C4 | 1.3° | 0.1° |
| H63 | C63 | C61 | C6 | 176.6° | 180.0° |
| H63 | C63 | C61 | H61 | 3.4° | 0.0° |
| C61 | C6 | C7 | C4 | 175.2° | 179.9° |
| C61 | C6 | C7 | O8 | 93.3° | 90.0° |
| C61 | C6 | C7 | H7 | 26.7° | 150.0° |
| C61 | C6 | C7 | H7A | 146.7° | 30.0° |
| C61 | C6 | C4 | C2 | 0.3° | 0.2° |
| C61 | C6 | C4 | H4 | 179.7° | 180.0° |
| H61 | C61 | C6 | C7 | 6.0° | 0.1° |
| H61 | C61 | C6 | C4 | 178.7° | 180.0° |
| C6 | C7 | O8 | H7 | 120.0° | 119.9° |
| C6 | C7 | O8 | H7A | 120.0° | 120.0° |
| C6 | C7 | H7 | H7A | 120.4° | 120.0° |
| C6 | C7 | O8 | C9 | 99.0° | 180.0° |
| C7 | C6 | C4 | C2 | 175.5° | 179.9° |
| C7 | C6 | C4 | H4 | 4.5° | 0.1° |
| C4 | C6 | C7 | O8 | 91.5° | 89.9° |
| C4 | C6 | C7 | H7 | 148.5° | 30.1° |
| C4 | C6 | C7 | H7A | 28.6° | 150.1° |
| C6 | C4 | C2 | H4 | 180.0° | 179.9° |
| C6 | C4 | C2 | H2 | 179.8° | 179.8° |
| O8 | C7 | H7 | H7A | 120.4° | 120.0° |
| C7 | O8 | C9 | N11 | 178.1° | 180.0° |
| C7 | O8 | C9 | O10 | 4.6° | 0.1° |
| H7 | C7 | O8 | C9 | 21.0° | 60.1° |
| H7A | C7 | O8 | C9 | 141.0° | 59.9° |
| O8 | C9 | N11 | O10 | 177.5° | 179.9° |
| O8 | C9 | N11 | C12 | 166.3° | 180.0° |
| O8 | C9 | N11 | HN11 | 13.7° | 0.0° |
| C9 | N11 | C12 | HN11 | 180.0° | 180.0° |
| C9 | N11 | C12 | P13 | 164.1° | 95.0° |
| C9 | N11 | C12 | H12 | 44.1° | 145.0° |
| C9 | N11 | C12 | H12A | 75.9° | 25.0° |
| O10 | C9 | N11 | C12 | 16.2° | 0.0° |
| O10 | C9 | N11 | HN11 | 163.8° | 179.9° |
| N11 | C12 | P13 | H12 | 120.0° | 120.0° |
| N11 | C12 | P13 | H12A | 120.0° | 120.0° |
| N11 | C12 | H12 | H12A | 119.3° | 119.9° |
| N11 | C12 | P13 | N14 | 177.4° | 180.0° |
| N11 | C12 | P13 | O54 | 59.3° | 60.0° |
| N11 | C12 | P13 | O55 | 65.7° | 60.0° |
| HN11 | N11 | C12 | P13 | 15.9° | 85.0° |
| HN11 | N11 | C12 | H12 | 135.9° | 35.0° |
| HN11 | N11 | C12 | H12A | 104.1° | 154.9° |
| P13 | C12 | H12 | H12A | 119.3° | 120.1° |
| C12 | P13 | N14 | O54 | 115.6° | 120.0° |
| C12 | P13 | N14 | O55 | 118.5° | 120.0° |
| C12 | P13 | O54 | O55 | 124.7° | 120.0° |
| C12 | P13 | O55 | HO55 | 122.9° | 60.0° |
| C12 | P13 | N14 | C15 | 142.9° | 175.6° |
| C12 | P13 | N14 | HN14 | 97.1° | 60.5° |
| H12 | C12 | P13 | N14 | 57.4° | 60.0° |
| H12 | C12 | P13 | O54 | 60.7° | 60.0° |
| H12 | C12 | P13 | O55 | 174.3° | 180.0° |
| H12A | C12 | P13 | N14 | 62.6° | 60.0° |
| H12A | C12 | P13 | O54 | 179.3° | 179.9° |
| H12A | C12 | P13 | O55 | 54.3° | 60.0° |
| N14 | P13 | O54 | O55 | 124.4° | 120.0° |
| N14 | P13 | O55 | HO55 | 125.5° | 59.9° |
| P13 | N14 | C15 | HN14 | 120.0° | 123.9° |
| P13 | N14 | C15 | C38 | 153.9° | 125.8° |
| P13 | N14 | C15 | C16 | 88.2° | 114.2° |
| P13 | N14 | C15 | H15 | 31.6° | 5.8° |
| O54 | P13 | O55 | HO55 | 0.0° | 180.0° |
| O54 | P13 | N14 | C15 | 101.4° | 64.4° |
| O54 | P13 | N14 | HN14 | 18.6° | 59.6° |
| O55 | P13 | N14 | C15 | 24.4° | 55.6° |
| O55 | P13 | N14 | HN14 | 144.4° | 179.6° |
| N14 | C15 | C38 | C16 | 120.5° | 120.0° |
| N14 | C15 | C38 | H15 | 119.8° | 120.0° |
| N14 | C15 | C16 | H15 | 119.9° | 120.0° |
| N14 | C15 | C38 | C41 | 168.8° | 64.2° |
| N14 | C15 | C38 | H38 | 48.8° | 55.9° |
| N14 | C15 | C38 | H38A | 71.2° | 175.9° |
| N14 | C15 | C16 | O17 | 152.0° | 0.0° |
| N14 | C15 | C16 | N18 | 28.4° | 180.0° |
| HN14 | N14 | C15 | C38 | 33.9° | 1.9° |
| HN14 | N14 | C15 | C16 | 151.8° | 121.9° |
| HN14 | N14 | C15 | H15 | 88.4° | 118.1° |
| C38 | C15 | C16 | H15 | 122.3° | 120.0° |
| C15 | C38 | C41 | H38 | 120.0° | 120.0° |
| C15 | C38 | C41 | H38A | 120.0° | 119.9° |
| C15 | C38 | H38 | H38A | 118.9° | 120.0° |
| C15 | C38 | C41 | C42 | 124.3° | 84.5° |
| C15 | C38 | C41 | C50 | 55.5° | 95.9° |
| C38 | C15 | C16 | O17 | 90.2° | 120.0° |
| C38 | C15 | C16 | N18 | 89.4° | 60.0° |
| C16 | C15 | C38 | C41 | 70.8° | 175.9° |
| C16 | C15 | C38 | H38 | 169.2° | 64.1° |
| C16 | C15 | C38 | H38A | 49.2° | 55.9° |
| C15 | C16 | O17 | N18 | 179.6° | 180.0° |
| C15 | C16 | N18 | C19 | 171.4° | 180.0° |
| C15 | C16 | N18 | HN18 | 8.6° | 0.0° |
| H15 | C15 | C38 | C41 | 48.9° | 55.9° |
| H15 | C15 | C38 | H38 | 71.1° | 175.9° |
| H15 | C15 | C38 | H38A | 168.9° | 64.1° |
| H15 | C15 | C16 | O17 | 32.1° | 120.0° |
| H15 | C15 | C16 | N18 | 148.3° | 60.0° |
| C41 | C38 | H38 | H38A | 119.0° | 120.0° |
| C38 | C41 | C42 | C50 | 179.8° | 179.7° |
| C38 | C41 | C50 | C48 | 178.0° | 179.9° |
| C38 | C41 | C50 | H50 | 2.0° | 0.1° |
| C38 | C41 | C42 | C44 | 179.9° | 179.7° |
| C38 | C41 | C42 | H42 | 0.1° | 0.3° |
| H38 | C38 | C41 | C42 | 115.7° | 155.5° |
| H38 | C38 | C41 | C50 | 64.5° | 24.1° |
| H38A | C38 | C41 | C42 | 4.4° | 35.5° |
| H38A | C38 | C41 | C50 | 175.5° | 144.2° |
| C42 | C41 | C50 | C48 | 2.2° | 0.4° |
| C42 | C41 | C50 | H50 | 177.8° | 179.7° |
| C41 | C42 | C44 | C46 | 0.1° | 0.6° |
| C41 | C42 | C44 | H42 | 180.0° | 179.4° |
| C41 | C42 | C44 | H44 | 179.9° | 179.6° |
| C41 | C50 | C48 | H50 | 180.0° | 179.9° |
| C41 | C50 | C48 | C46 | 3.9° | 0.1° |
| C41 | C50 | C48 | H48 | 176.1° | 180.0° |
| C50 | C41 | C42 | C44 | 0.3° | 0.6° |
| C50 | C41 | C42 | H42 | 179.7° | 180.0° |
| C50 | C48 | C46 | H48 | 180.0° | 179.9° |
| C50 | C48 | C46 | C44 | 3.7° | 0.0° |
| C50 | C48 | C46 | H46 | 176.3° | 179.9° |
| H50 | C50 | C48 | C46 | 176.1° | 179.9° |
| H50 | C50 | C48 | H48 | 3.8° | 0.1° |
| C48 | C46 | C44 | H46 | 180.0° | 179.9° |
| C48 | C46 | C44 | C42 | 1.8° | 0.3° |
| C48 | C46 | C44 | H44 | 178.3° | 180.0° |
| H48 | C48 | C46 | C44 | 176.3° | 179.9° |
| H48 | C48 | C46 | H46 | 3.7° | 0.0° |
| C46 | C44 | C42 | H44 | 180.0° | 179.8° |
| C46 | C44 | C42 | H42 | 179.9° | 179.9° |
| H46 | C46 | C44 | C42 | 178.2° | 179.7° |
| H46 | C46 | C44 | H44 | 1.8° | 0.1° |
| H44 | C44 | C42 | H42 | 0.1° | 0.3° |
| O17 | C16 | N18 | C19 | 9.1° | 0.0° |
| O17 | C16 | N18 | HN18 | 171.0° | 180.0° |
| C16 | N18 | C19 | HN18 | 180.0° | 180.0° |
| C16 | N18 | C19 | C20 | 88.6° | 155.0° |
| C16 | N18 | C19 | C33 | 144.4° | 85.0° |
| C16 | N18 | C19 | H19 | 29.8° | 35.0° |
| N18 | C19 | C20 | C33 | 125.0° | 120.0° |
| N18 | C19 | C20 | H19 | 120.6° | 120.0° |
| N18 | C19 | C33 | H19 | 120.2° | 120.0° |
| N18 | C19 | C33 | O34 | 3.5° | 0.0° |
| N18 | C19 | C33 | O35 | 175.9° | 180.0° |
| N18 | C19 | C20 | C21 | 61.9° | 65.0° |
| N18 | C19 | C20 | H20 | 178.1° | 55.0° |
| N18 | C19 | C20 | H20A | 58.1° | 175.0° |
| HN18 | N18 | C19 | C20 | 91.4° | 25.0° |
| HN18 | N18 | C19 | C33 | 35.5° | 95.0° |
| HN18 | N18 | C19 | H19 | 150.2° | 144.9° |
| C20 | C19 | C33 | H19 | 117.6° | 119.9° |
| C20 | C19 | C33 | O34 | 118.7° | 120.1° |
| C20 | C19 | C33 | O35 | 61.9° | 60.0° |
| C19 | C20 | C21 | H20 | 120.0° | 120.0° |
| C19 | C20 | C21 | H20A | 120.0° | 120.0° |
| C19 | C20 | H20 | H20A | 117.3° | 120.0° |
| C19 | C20 | C21 | C26 | 95.4° | 175.0° |
| C19 | C20 | C21 | C22 | 144.9° | 65.0° |
| C19 | C20 | C21 | H21 | 24.4° | 55.0° |
| C19 | C33 | O34 | O35 | 179.4° | 180.0° |
| C19 | C33 | O35 | HO35 | 179.4° | 180.0° |
| C33 | C19 | C20 | C21 | 63.1° | 174.9° |
| C33 | C19 | C20 | H20 | 56.9° | 65.0° |
| C33 | C19 | C20 | H20A | 176.9° | 54.9° |
| H19 | C19 | C33 | O34 | 123.7° | 120.0° |
| H19 | C19 | C33 | O35 | 55.7° | 60.0° |
| H19 | C19 | C20 | C21 | 177.5° | 55.0° |
| H19 | C19 | C20 | H20 | 57.5° | 175.0° |
| H19 | C19 | C20 | H20A | 62.5° | 65.0° |
| O34 | C33 | O35 | HO35 | 0.0° | 0.0° |
| C21 | C20 | H20 | H20A | 117.3° | 120.0° |
| C20 | C21 | C26 | C22 | 119.4° | 120.0° |
| C20 | C21 | C26 | H21 | 120.1° | 120.0° |
| C20 | C21 | C22 | H21 | 120.1° | 120.0° |
| C20 | C21 | C26 | H26 | 180.0° | 60.0° |
| C20 | C21 | C26 | H26A | 60.0° | 180.0° |
| C20 | C21 | C26 | H26B | 60.0° | 59.9° |
| C20 | C21 | C22 | H22 | 180.0° | 60.0° |
| C20 | C21 | C22 | H22A | 60.0° | 180.0° |
| C20 | C21 | C22 | H22B | 60.0° | 60.0° |
| H20 | C20 | C21 | C26 | 144.6° | 55.0° |
| H20 | C20 | C21 | C22 | 24.9° | 175.0° |
| H20 | C20 | C21 | H21 | 95.6° | 65.0° |
| H20A | C20 | C21 | C26 | 24.6° | 65.0° |
| H20A | C20 | C21 | C22 | 95.1° | 55.0° |
| H20A | C20 | C21 | H21 | 144.4° | 175.0° |
| C26 | C21 | C22 | H21 | 119.8° | 120.0° |
| C21 | C26 | H26 | H26A | 120.0° | 120.0° |
| C21 | C26 | H26 | H26B | 120.0° | 120.0° |
| C21 | C26 | H26A | H26B | 120.0° | 120.1° |
| C26 | C21 | C22 | H22 | 59.8° | 180.0° |
| C26 | C21 | C22 | H22A | 179.8° | 60.0° |
| C26 | C21 | C22 | H22B | 60.1° | 60.0° |
| C22 | C21 | C26 | H26 | 60.6° | 60.0° |
| C22 | C21 | C26 | H26A | 59.4° | 59.9° |
| C22 | C21 | C26 | H26B | 179.4° | 179.9° |
| C21 | C22 | H22 | H22A | 120.0° | 120.0° |
| C21 | C22 | H22 | H22B | 120.0° | 120.0° |
| C21 | C22 | H22A | H22B | 120.0° | 120.0° |
| H21 | C21 | C26 | H26 | 59.9° | 180.0° |
| H21 | C21 | C26 | H26A | 179.9° | 60.1° |
| H21 | C21 | C26 | H26B | 60.1° | 60.0° |
| H21 | C21 | C22 | H22 | 60.0° | 60.0° |
| H21 | C21 | C22 | H22A | 60.1° | 60.0° |
| H21 | C21 | C22 | H22B | 179.9° | 180.0° |
| H26 | C26 | H26A | H26B | 120.0° | 120.0° |
| H22 | C22 | H22A | H22B | 120.0° | 120.0° |
| H4 | C4 | C2 | H2 | 0.2° | 0.4° |
