PRD_001115
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| CL7 | C3 | sing | 1.74Å | 1.72Å | |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
| C6 | N8 | sing | 1.40Å | 1.45Å | |
| N12 | N8 | sing | 1.41Å | 1.35Å | Aromatic |
| N8 | C9 | sing | 1.35Å | 1.38Å | Aromatic |
| N10 | C9 | doub | 1.31Å | 1.32Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N11 | N10 | sing | 1.28Å | 1.35Å | Aromatic |
| N12 | N11 | doub | 1.29Å | 1.34Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| N15 | C14 | sing | 1.46Å | 1.45Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| N15 | C16 | sing | 1.35Å | 1.37Å | |
| N15 | HN15 | sing | 0.97Å | 1.00Å | |
| C17 | C16 | sing | 1.51Å | 1.54Å | |
| C16 | O39 | doub | 1.21Å | 1.23Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C17 | N19 | sing | 1.47Å | 1.47Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C33 | C18 | sing | 1.51Å | 1.52Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| N19 | C20 | sing | 1.35Å | 1.37Å | |
| N19 | HN19 | sing | 0.97Å | 1.00Å | |
| O22 | C20 | doub | 1.22Å | 1.23Å | |
| C20 | C21 | sing | 1.48Å | 1.51Å | |
| C23 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C21 | C25 | sing | 1.40Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | C27 | doub | 1.39Å | 1.41Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | C26 | sing | 1.40Å | 1.42Å | Aromatic |
| C26 | S31 | sing | 1.76Å | 1.78Å | |
| C27 | N28 | sing | 1.39Å | 1.42Å | |
| N28 | C29 | sing | 1.33Å | 1.39Å | |
| N28 | HN28 | sing | 0.97Å | 1.00Å | |
| C30 | C29 | sing | 1.50Å | 1.52Å | |
| C29 | O32 | doub | 1.21Å | 1.22Å | |
| S31 | C30 | sing | 1.82Å | 1.82Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C34 | C33 | doub | 1.38Å | 1.41Å | Aromatic |
| C38 | C33 | sing | 1.38Å | 1.41Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.41Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C36 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | C38 | doub | 1.38Å | 1.41Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C2 | 120.7° | 119.9° |
| C6 | C1 | H1 | 119.6° | 120.1° |
| C1 | C6 | C5 | 118.3° | 119.9° |
| C1 | C6 | N8 | 121.8° | 120.0° |
| C2 | C1 | H1 | 119.7° | 120.0° |
| C1 | C2 | C3 | 120.3° | 120.1° |
| C1 | C2 | H2 | 119.8° | 120.0° |
| C3 | C2 | H2 | 119.8° | 119.9° |
| C2 | C3 | C4 | 119.8° | 120.0° |
| C2 | C3 | CL7 | 121.9° | 120.0° |
| C4 | C3 | CL7 | 118.3° | 120.0° |
| C3 | C4 | C5 | 119.8° | 120.1° |
| C3 | C4 | H4 | 120.1° | 120.0° |
| C5 | C4 | H4 | 120.1° | 119.9° |
| C4 | C5 | C13 | 113.8° | 120.1° |
| C4 | C5 | C6 | 121.0° | 119.9° |
| C13 | C5 | C6 | 125.1° | 120.0° |
| C5 | C13 | C14 | 118.5° | 109.5° |
| C5 | C13 | H13 | 106.5° | 109.5° |
| C5 | C13 | H13A | 106.6° | 109.5° |
| C5 | C6 | N8 | 120.0° | 120.1° |
| C6 | N8 | N12 | 125.3° | 127.4° |
| C6 | N8 | C9 | 129.3° | 127.4° |
| N12 | N8 | C9 | 105.3° | 105.2° |
| N8 | N12 | N11 | 107.9° | 106.6° |
| N8 | C9 | N10 | 110.9° | 107.3° |
| N8 | C9 | H9 | 124.5° | 126.4° |
| N10 | C9 | H9 | 124.5° | 126.3° |
| C9 | N10 | N11 | 105.5° | 110.6° |
| N10 | N11 | N12 | 110.2° | 110.2° |
| C14 | C13 | H13 | 106.6° | 109.4° |
| C14 | C13 | H13A | 106.5° | 109.5° |
| C13 | C14 | N15 | 107.1° | 109.5° |
| C13 | C14 | H14 | 110.3° | 109.5° |
| C13 | C14 | H14A | 110.3° | 109.5° |
| H13 | C13 | H13A | 112.3° | 109.5° |
| N15 | C14 | H14 | 110.2° | 109.4° |
| N15 | C14 | H14A | 110.2° | 109.5° |
| C14 | N15 | C16 | 113.9° | 120.0° |
| C14 | N15 | HN15 | 123.0° | 120.0° |
| H14 | C14 | H14A | 108.7° | 109.5° |
| C16 | N15 | HN15 | 123.1° | 120.0° |
| N15 | C16 | C17 | 118.5° | 120.0° |
| N15 | C16 | O39 | 118.9° | 120.0° |
| C17 | C16 | O39 | 122.6° | 120.0° |
| C16 | C17 | C18 | 109.9° | 109.5° |
| C16 | C17 | N19 | 108.2° | 109.4° |
| C16 | C17 | H17 | 109.2° | 109.5° |
| C18 | C17 | N19 | 106.9° | 109.5° |
| C18 | C17 | H17 | 110.4° | 109.5° |
| C17 | C18 | C33 | 117.8° | 109.5° |
| C17 | C18 | H18 | 106.8° | 109.5° |
| C17 | C18 | H18A | 106.8° | 109.5° |
| N19 | C17 | H17 | 112.1° | 109.5° |
| C17 | N19 | C20 | 124.2° | 120.0° |
| C17 | N19 | HN19 | 117.9° | 120.0° |
| C33 | C18 | H18 | 106.8° | 109.5° |
| C33 | C18 | H18A | 106.8° | 109.5° |
| C18 | C33 | C34 | 121.7° | 120.0° |
| C18 | C33 | C38 | 120.8° | 120.0° |
| H18 | C18 | H18A | 112.0° | 109.4° |
| C20 | N19 | HN19 | 117.9° | 120.0° |
| N19 | C20 | O22 | 121.0° | 120.0° |
| N19 | C20 | C21 | 118.1° | 120.0° |
| O22 | C20 | C21 | 120.8° | 120.0° |
| C20 | C21 | C23 | 125.0° | 120.2° |
| C20 | C21 | C25 | 116.7° | 120.2° |
| C23 | C21 | C25 | 118.2° | 119.6° |
| C21 | C23 | C24 | 122.0° | 120.3° |
| C21 | C23 | H23 | 119.0° | 119.8° |
| C21 | C25 | C26 | 121.5° | 119.8° |
| C21 | C25 | H25 | 119.3° | 120.1° |
| C24 | C23 | H23 | 119.0° | 119.9° |
| C23 | C24 | C27 | 119.8° | 120.5° |
| C23 | C24 | H24 | 120.1° | 119.8° |
| C27 | C24 | H24 | 120.1° | 119.7° |
| C24 | C27 | C26 | 118.3° | 119.3° |
| C24 | C27 | N28 | 121.6° | 119.2° |
| C26 | C25 | H25 | 119.3° | 120.1° |
| C25 | C26 | C27 | 120.3° | 120.6° |
| C25 | C26 | S31 | 115.9° | 120.1° |
| C27 | C26 | S31 | 123.7° | 119.3° |
| C26 | C27 | N28 | 120.1° | 121.5° |
| C26 | S31 | C30 | 97.2° | 101.6° |
| C27 | N28 | C29 | 124.0° | 125.9° |
| C27 | N28 | HN28 | 118.0° | 117.0° |
| C29 | N28 | HN28 | 118.0° | 117.1° |
| N28 | C29 | C30 | 121.0° | 123.5° |
| N28 | C29 | O32 | 118.5° | 118.2° |
| C30 | C29 | O32 | 120.6° | 118.3° |
| C29 | C30 | S31 | 113.2° | 108.7° |
| C29 | C30 | H30 | 108.3° | 109.6° |
| C29 | C30 | H30A | 108.3° | 109.6° |
| S31 | C30 | H30 | 108.2° | 109.9° |
| S31 | C30 | H30A | 108.3° | 109.6° |
| H30 | C30 | H30A | 110.7° | 109.6° |
| C34 | C33 | C38 | 117.5° | 120.0° |
| C33 | C34 | C35 | 120.4° | 120.0° |
| C33 | C34 | H34 | 119.8° | 120.0° |
| C33 | C38 | C37 | 121.2° | 120.0° |
| C33 | C38 | H38 | 119.4° | 120.0° |
| C35 | C34 | H34 | 119.8° | 120.0° |
| C34 | C35 | C36 | 121.8° | 120.0° |
| C34 | C35 | H35 | 119.1° | 120.0° |
| C36 | C35 | H35 | 119.1° | 120.0° |
| C35 | C36 | C37 | 118.0° | 120.0° |
| C35 | C36 | H36 | 121.0° | 120.0° |
| C37 | C36 | H36 | 121.0° | 120.0° |
| C36 | C37 | C38 | 121.0° | 120.0° |
| C36 | C37 | H37 | 119.5° | 120.0° |
| C38 | C37 | H37 | 119.5° | 120.0° |
| C37 | C38 | H38 | 119.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C2 | H1 | 180.0° | 179.8° |
| C6 | C1 | C2 | C3 | 0.4° | 0.2° |
| C6 | C1 | C2 | H2 | 179.6° | 179.8° |
| C1 | C6 | C5 | C4 | 1.2° | 0.5° |
| C1 | C6 | C5 | C13 | 177.1° | 179.8° |
| C1 | C6 | C5 | N8 | 179.6° | 179.6° |
| C1 | C6 | N8 | N12 | 61.3° | 179.2° |
| C1 | C6 | N8 | C9 | 122.6° | 0.4° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 1.1° | 0.0° |
| C1 | C2 | C3 | CL7 | 178.9° | 180.0° |
| C2 | C1 | C6 | C5 | 0.5° | 0.5° |
| C2 | C1 | C6 | N8 | 179.1° | 179.9° |
| H1 | C1 | C2 | C3 | 179.6° | 180.0° |
| H1 | C1 | C2 | H2 | 0.4° | 0.0° |
| H1 | C1 | C6 | C5 | 179.5° | 179.7° |
| H1 | C1 | C6 | N8 | 0.9° | 0.1° |
| C2 | C3 | C4 | CL7 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 1.8° | 0.0° |
| C2 | C3 | C4 | H4 | 178.2° | 180.0° |
| H2 | C2 | C3 | C4 | 178.9° | 180.0° |
| H2 | C2 | C3 | CL7 | 1.1° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C13 | 178.2° | 180.0° |
| C3 | C4 | C5 | C6 | 1.8° | 0.3° |
| CL7 | C3 | C4 | C5 | 178.2° | 179.9° |
| CL7 | C3 | C4 | H4 | 1.8° | 0.0° |
| C4 | C5 | C13 | C6 | 176.1° | 179.7° |
| C4 | C5 | C6 | N8 | 178.4° | 179.9° |
| C4 | C5 | C13 | C14 | 94.9° | 95.0° |
| C4 | C5 | C13 | H13 | 25.1° | 24.9° |
| C4 | C5 | C13 | H13A | 145.1° | 145.0° |
| H4 | C4 | C5 | C13 | 1.8° | 0.0° |
| H4 | C4 | C5 | C6 | 178.2° | 179.8° |
| C13 | C5 | C6 | N8 | 2.5° | 0.2° |
| C5 | C13 | C14 | H13 | 120.0° | 120.0° |
| C5 | C13 | C14 | H13A | 120.0° | 120.0° |
| C5 | C13 | H13 | H13A | 116.3° | 120.1° |
| C5 | C13 | C14 | N15 | 158.5° | 180.0° |
| C5 | C13 | C14 | H14 | 38.5° | 60.1° |
| C5 | C13 | C14 | H14A | 81.6° | 60.0° |
| C5 | C6 | N8 | N12 | 118.3° | 0.4° |
| C5 | C6 | N8 | C9 | 57.8° | 180.0° |
| C6 | C5 | C13 | C14 | 89.0° | 85.3° |
| C6 | C5 | C13 | H13 | 151.0° | 154.8° |
| C6 | C5 | C13 | H13A | 31.0° | 34.7° |
| C6 | N8 | N12 | C9 | 176.9° | 179.6° |
| C6 | N8 | C9 | N10 | 178.0° | 179.9° |
| C6 | N8 | C9 | H9 | 2.0° | 0.2° |
| C6 | N8 | N12 | N11 | 177.7° | 179.9° |
| N12 | N8 | C9 | N10 | 1.3° | 0.3° |
| N12 | N8 | C9 | H9 | 178.7° | 179.8° |
| N8 | N12 | N11 | N10 | 0.2° | 0.5° |
| N8 | C9 | N10 | H9 | 180.0° | 179.9° |
| N8 | C9 | N10 | N11 | 1.1° | 0.0° |
| C9 | N8 | N12 | N11 | 0.8° | 0.5° |
| C9 | N10 | N11 | N12 | 0.6° | 0.4° |
| H9 | C9 | N10 | N11 | 178.8° | 179.9° |
| C14 | C13 | H13 | H13A | 116.3° | 120.0° |
| C13 | C14 | N15 | H14 | 120.0° | 120.0° |
| C13 | C14 | N15 | H14A | 120.0° | 120.0° |
| C13 | C14 | H14 | H14A | 121.0° | 120.0° |
| C13 | C14 | N15 | C16 | 163.5° | 180.0° |
| C13 | C14 | N15 | HN15 | 16.5° | 0.1° |
| H13 | C13 | C14 | N15 | 81.6° | 60.0° |
| H13 | C13 | C14 | H14 | 158.4° | 180.0° |
| H13 | C13 | C14 | H14A | 38.4° | 60.0° |
| H13A | C13 | C14 | N15 | 38.5° | 60.0° |
| H13A | C13 | C14 | H14 | 81.5° | 60.0° |
| H13A | C13 | C14 | H14A | 158.4° | 180.0° |
| N15 | C14 | H14 | H14A | 120.9° | 120.0° |
| C14 | N15 | C16 | HN15 | 180.0° | 179.9° |
| C14 | N15 | C16 | C17 | 179.9° | 180.0° |
| C14 | N15 | C16 | O39 | 0.7° | 0.1° |
| H14 | C14 | N15 | C16 | 76.5° | 60.0° |
| H14 | C14 | N15 | HN15 | 103.5° | 120.0° |
| H14A | C14 | N15 | C16 | 43.5° | 60.0° |
| H14A | C14 | N15 | HN15 | 136.5° | 120.0° |
| N15 | C16 | C17 | O39 | 179.1° | 180.0° |
| N15 | C16 | C17 | C18 | 87.0° | 60.0° |
| N15 | C16 | C17 | N19 | 156.6° | 180.0° |
| N15 | C16 | C17 | H17 | 34.3° | 60.0° |
| HN15 | N15 | C16 | C17 | 0.1° | 0.1° |
| HN15 | N15 | C16 | O39 | 179.3° | 180.0° |
| C16 | C17 | C18 | N19 | 117.2° | 120.0° |
| C16 | C17 | C18 | H17 | 120.6° | 120.0° |
| C16 | C17 | N19 | H17 | 120.5° | 120.0° |
| C16 | C17 | C18 | C33 | 178.1° | 175.0° |
| C16 | C17 | C18 | H18 | 61.8° | 65.0° |
| C16 | C17 | C18 | H18A | 58.2° | 55.0° |
| C16 | C17 | N19 | C20 | 117.3° | 155.0° |
| C16 | C17 | N19 | HN19 | 62.7° | 25.0° |
| O39 | C16 | C17 | C18 | 93.8° | 120.0° |
| O39 | C16 | C17 | N19 | 22.6° | 0.0° |
| O39 | C16 | C17 | H17 | 144.8° | 120.0° |
| C18 | C17 | N19 | H17 | 121.2° | 120.0° |
| C17 | C18 | C33 | H18 | 120.0° | 120.0° |
| C17 | C18 | C33 | H18A | 120.0° | 120.0° |
| C17 | C18 | H18 | H18A | 116.6° | 120.0° |
| C18 | C17 | N19 | C20 | 124.3° | 85.0° |
| C18 | C17 | N19 | HN19 | 55.7° | 95.0° |
| C17 | C18 | C33 | C34 | 56.8° | 89.9° |
| C17 | C18 | C33 | C38 | 124.2° | 90.2° |
| N19 | C17 | C18 | C33 | 64.6° | 65.0° |
| N19 | C17 | C18 | H18 | 55.4° | 55.0° |
| N19 | C17 | C18 | H18A | 175.4° | 175.0° |
| C17 | N19 | C20 | HN19 | 180.0° | 180.0° |
| C17 | N19 | C20 | O22 | 0.1° | 0.0° |
| C17 | N19 | C20 | C21 | 177.1° | 180.0° |
| H17 | C17 | C18 | C33 | 57.6° | 55.0° |
| H17 | C17 | C18 | H18 | 177.6° | 175.0° |
| H17 | C17 | C18 | H18A | 62.4° | 65.0° |
| H17 | C17 | N19 | C20 | 3.2° | 35.0° |
| H17 | C17 | N19 | HN19 | 176.9° | 145.0° |
| C33 | C18 | H18 | H18A | 116.6° | 120.0° |
| C18 | C33 | C34 | C38 | 179.0° | 179.8° |
| C18 | C33 | C34 | C35 | 177.5° | 179.9° |
| C18 | C33 | C34 | H34 | 2.5° | 0.1° |
| C18 | C33 | C38 | C37 | 177.5° | 179.7° |
| C18 | C33 | C38 | H38 | 2.5° | 0.2° |
| H18 | C18 | C33 | C34 | 176.8° | 30.1° |
| H18 | C18 | C33 | C38 | 4.2° | 149.8° |
| H18A | C18 | C33 | C34 | 63.2° | 150.0° |
| H18A | C18 | C33 | C38 | 115.8° | 29.8° |
| N19 | C20 | O22 | C21 | 177.2° | 180.0° |
| N19 | C20 | C21 | C23 | 31.8° | 0.3° |
| N19 | C20 | C21 | C25 | 151.7° | 180.0° |
| HN19 | N19 | C20 | O22 | 179.8° | 180.0° |
| HN19 | N19 | C20 | C21 | 2.9° | 0.0° |
| O22 | C20 | C21 | C23 | 145.5° | 179.7° |
| O22 | C20 | C21 | C25 | 31.0° | 0.0° |
| C20 | C21 | C23 | C25 | 176.4° | 179.7° |
| C20 | C21 | C23 | C24 | 177.8° | 179.9° |
| C20 | C21 | C23 | H23 | 2.3° | 0.1° |
| C20 | C21 | C25 | C26 | 177.2° | 179.9° |
| C20 | C21 | C25 | H25 | 2.8° | 0.1° |
| C21 | C23 | C24 | H23 | 180.0° | 180.0° |
| C21 | C23 | C24 | C27 | 1.3° | 0.1° |
| C21 | C23 | C24 | H24 | 178.7° | 179.9° |
| C23 | C21 | C25 | C26 | 0.5° | 0.2° |
| C23 | C21 | C25 | H25 | 179.5° | 179.8° |
| C25 | C21 | C23 | C24 | 1.3° | 0.2° |
| C25 | C21 | C23 | H23 | 178.7° | 179.8° |
| C21 | C25 | C26 | H25 | 180.0° | 180.0° |
| C21 | C25 | C26 | C27 | 0.4° | 0.1° |
| C21 | C25 | C26 | S31 | 179.4° | 179.8° |
| C23 | C24 | C27 | H24 | 180.0° | 180.0° |
| C23 | C24 | C27 | C26 | 0.4° | 0.1° |
| C23 | C24 | C27 | N28 | 179.5° | 179.6° |
| H23 | C23 | C24 | C27 | 178.7° | 180.0° |
| H23 | C23 | C24 | H24 | 1.3° | 0.0° |
| C24 | C27 | C26 | C25 | 0.4° | 0.1° |
| C24 | C27 | C26 | N28 | 179.9° | 179.5° |
| C24 | C27 | C26 | S31 | 179.4° | 180.0° |
| C24 | C27 | N28 | C29 | 157.7° | 157.9° |
| C24 | C27 | N28 | HN28 | 22.3° | 22.2° |
| H24 | C24 | C27 | C26 | 179.6° | 179.9° |
| H24 | C24 | C27 | N28 | 0.5° | 0.4° |
| C25 | C26 | C27 | S31 | 179.8° | 179.9° |
| C25 | C26 | C27 | N28 | 179.7° | 179.6° |
| C25 | C26 | S31 | C30 | 148.9° | 149.1° |
| H25 | C25 | C26 | C27 | 179.6° | 179.9° |
| H25 | C25 | C26 | S31 | 0.6° | 0.2° |
| C26 | C27 | N28 | C29 | 22.2° | 22.6° |
| C26 | C27 | N28 | HN28 | 157.8° | 157.3° |
| C27 | C26 | S31 | C30 | 30.8° | 30.8° |
| S31 | C26 | C27 | N28 | 0.5° | 0.5° |
| C26 | S31 | C30 | C29 | 47.2° | 45.1° |
| C26 | S31 | C30 | H30 | 167.2° | 74.8° |
| C26 | S31 | C30 | H30A | 72.8° | 164.7° |
| C27 | N28 | C29 | HN28 | 180.0° | 179.9° |
| C27 | N28 | C29 | C30 | 0.3° | 0.9° |
| C27 | N28 | C29 | O32 | 179.8° | 179.0° |
| N28 | C29 | C30 | O32 | 180.0° | 179.9° |
| N28 | C29 | C30 | S31 | 38.5° | 35.3° |
| N28 | C29 | C30 | H30 | 158.5° | 84.7° |
| N28 | C29 | C30 | H30A | 81.5° | 155.0° |
| HN28 | N28 | C29 | C30 | 179.8° | 179.0° |
| HN28 | N28 | C29 | O32 | 0.2° | 1.0° |
| C29 | C30 | S31 | H30 | 120.0° | 119.9° |
| C29 | C30 | S31 | H30A | 120.0° | 119.7° |
| C29 | C30 | H30 | H30A | 118.5° | 120.2° |
| O32 | C29 | C30 | S31 | 141.4° | 144.7° |
| O32 | C29 | C30 | H30 | 21.4° | 95.2° |
| O32 | C29 | C30 | H30A | 98.6° | 25.1° |
| S31 | C30 | H30 | H30A | 118.5° | 120.4° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.7° | 0.0° |
| C33 | C34 | C35 | H35 | 179.3° | 180.0° |
| C34 | C33 | C38 | C37 | 1.5° | 0.5° |
| C34 | C33 | C38 | H38 | 178.5° | 180.0° |
| C38 | C33 | C34 | C35 | 1.5° | 0.2° |
| C38 | C33 | C34 | H34 | 178.4° | 179.8° |
| C33 | C38 | C37 | C36 | 0.7° | 0.5° |
| C33 | C38 | C37 | H38 | 180.0° | 179.5° |
| C33 | C38 | C37 | H37 | 179.3° | 179.8° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 3.0° | 0.0° |
| C34 | C35 | C36 | H36 | 177.0° | 180.0° |
| H34 | C34 | C35 | C36 | 179.3° | 180.0° |
| H34 | C34 | C35 | H35 | 0.7° | 0.0° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 3.0° | 0.3° |
| C35 | C36 | C37 | H37 | 177.0° | 180.0° |
| H35 | C35 | C36 | C37 | 177.0° | 180.0° |
| H35 | C35 | C36 | H36 | 3.0° | 0.0° |
| C36 | C37 | C38 | H37 | 180.0° | 179.7° |
| C36 | C37 | C38 | H38 | 179.3° | 180.0° |
| H36 | C36 | C37 | C38 | 177.0° | 179.8° |
| H36 | C36 | C37 | H37 | 3.0° | 0.0° |
| H37 | C37 | C38 | H38 | 0.7° | 0.3° |
