A1JIW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | N6 | doub | 1.32Å | 1.34Å | Aromatic |
| N6 | C7 | sing | 1.32Å | 1.34Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.50Å | |
| C14 | F15 | sing | 1.40Å | 1.37Å | |
| C14 | F16 | sing | 1.40Å | 1.37Å | |
| C9 | O17 | sing | 1.43Å | 1.44Å | |
| C8 | S18 | sing | 1.81Å | 1.80Å | |
| S18 | C19 | sing | 1.81Å | 1.81Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | N22 | sing | 1.46Å | 1.46Å | |
| N22 | N23 | sing | 1.29Å | 1.35Å | Aromatic |
| N23 | N24 | doub | 1.29Å | 1.31Å | Aromatic |
| N24 | C25 | sing | 1.34Å | 1.36Å | Aromatic |
| C25 | C26 | sing | 1.48Å | 1.47Å | |
| C26 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.37Å | Aromatic |
| C28 | F29 | sing | 1.35Å | 1.35Å | |
| C26 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.37Å | Aromatic |
| C31 | F32 | sing | 1.35Å | 1.36Å | |
| C31 | C33 | sing | 1.39Å | 1.38Å | Aromatic |
| C33 | F34 | sing | 1.35Å | 1.34Å | |
| C25 | C35 | doub | 1.36Å | 1.37Å | Aromatic |
| C20 | O36 | sing | 1.43Å | 1.42Å | |
| C19 | O37 | sing | 1.43Å | 1.43Å | |
| O37 | C38 | sing | 1.43Å | 1.44Å | |
| C38 | C39 | sing | 1.53Å | 1.51Å | |
| C39 | O40 | sing | 1.43Å | 1.42Å | |
| C38 | C41 | sing | 1.53Å | 1.52Å | |
| C41 | O42 | sing | 1.43Å | 1.44Å | |
| C7 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C11 | sing | 1.53Å | 1.50Å | |
| C41 | C21 | sing | 1.53Å | 1.53Å | |
| C35 | N22 | sing | 1.35Å | 1.34Å | Aromatic |
| C33 | C28 | doub | 1.39Å | 1.37Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C1 | H1C | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| O17 | H17 | sing | 0.97Å | 0.95Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| O36 | H36 | sing | 0.97Å | 0.95Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C39 | H39B | sing | 1.09Å | 1.10Å | |
| O40 | H40 | sing | 0.97Å | 0.95Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| O42 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 121.1° | 120.4° |
| C1 | C2 | C7 | 121.8° | 120.4° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C2 | C1 | H1C | 109.5° | 109.5° |
| C2 | C3 | C4 | 120.3° | 118.4° |
| C3 | C2 | C7 | 117.1° | 119.2° |
| C2 | C3 | H3 | 119.9° | 120.8° |
| C3 | C4 | C5 | 118.4° | 119.2° |
| C3 | C4 | H4 | 120.8° | 120.4° |
| C4 | C3 | H3 | 119.8° | 120.8° |
| C4 | C5 | N6 | 123.4° | 120.8° |
| C5 | C4 | H4 | 120.8° | 120.4° |
| C4 | C5 | H5 | 118.3° | 119.6° |
| C5 | N6 | C7 | 118.0° | 121.7° |
| N6 | C5 | H5 | 118.3° | 119.7° |
| N6 | C7 | C8 | 116.6° | 119.6° |
| N6 | C7 | C2 | 122.8° | 120.7° |
| C7 | C8 | C9 | 114.9° | 109.5° |
| C7 | C8 | S18 | 110.4° | 109.5° |
| C8 | C7 | C2 | 120.5° | 119.7° |
| C7 | C8 | H8 | 106.7° | 109.5° |
| C8 | C9 | C10 | 113.5° | 109.5° |
| C8 | C9 | C12 | 111.4° | 109.4° |
| C8 | C9 | O17 | 107.8° | 109.5° |
| C9 | C8 | S18 | 113.5° | 109.5° |
| C9 | C8 | H8 | 106.4° | 109.4° |
| C9 | C10 | C11 | 112.7° | 109.5° |
| C10 | C9 | C12 | 109.5° | 109.5° |
| C10 | C9 | O17 | 106.4° | 109.5° |
| C9 | C10 | H10A | 108.6° | 109.5° |
| C9 | C10 | H10B | 108.7° | 109.5° |
| C10 | C11 | C14 | 111.1° | 109.4° |
| C11 | C10 | H10A | 108.7° | 109.4° |
| C11 | C10 | H10B | 108.7° | 109.5° |
| C10 | C11 | H11A | 109.1° | 109.5° |
| C10 | C11 | H11B | 109.1° | 109.5° |
| C9 | C12 | C13 | 112.2° | 109.4° |
| C12 | C9 | O17 | 108.0° | 109.5° |
| C9 | C12 | H12A | 108.8° | 109.5° |
| C9 | C12 | H12B | 108.8° | 109.5° |
| C12 | C13 | C14 | 110.8° | 109.5° |
| C12 | C13 | H13A | 109.1° | 109.4° |
| C12 | C13 | H13B | 109.1° | 109.5° |
| C13 | C12 | H12A | 108.8° | 109.5° |
| C13 | C12 | H12B | 108.8° | 109.5° |
| C13 | C14 | F15 | 109.4° | 109.5° |
| C13 | C14 | F16 | 109.7° | 109.4° |
| C13 | C14 | C11 | 114.5° | 109.5° |
| C14 | C13 | H13A | 109.1° | 109.4° |
| C14 | C13 | H13B | 109.1° | 109.5° |
| F15 | C14 | F16 | 104.0° | 109.5° |
| F15 | C14 | C11 | 109.5° | 109.5° |
| F16 | C14 | C11 | 109.3° | 109.4° |
| C9 | O17 | H17 | 109.5° | 114.0° |
| C8 | S18 | C19 | 100.4° | 103.0° |
| S18 | C8 | H8 | 104.0° | 109.5° |
| S18 | C19 | C20 | 110.1° | 109.5° |
| S18 | C19 | O37 | 106.3° | 109.5° |
| S18 | C19 | H19 | 107.3° | 109.5° |
| C19 | C20 | C21 | 107.6° | 109.2° |
| C19 | C20 | O36 | 109.2° | 109.5° |
| C20 | C19 | O37 | 110.4° | 109.4° |
| C19 | C20 | H20 | 110.0° | 109.6° |
| C20 | C19 | H19 | 110.5° | 109.5° |
| C20 | C21 | N22 | 113.8° | 109.6° |
| C21 | C20 | O36 | 108.4° | 109.5° |
| C20 | C21 | C41 | 111.1° | 109.1° |
| C21 | C20 | H20 | 110.0° | 109.5° |
| C20 | C21 | H21 | 107.3° | 109.5° |
| C21 | N22 | N23 | 120.2° | 125.8° |
| N22 | C21 | C41 | 108.7° | 109.5° |
| C21 | N22 | C35 | 129.0° | 125.8° |
| N22 | C21 | H21 | 108.3° | 109.5° |
| N22 | N23 | N24 | 106.9° | 110.5° |
| N23 | N22 | C35 | 110.8° | 108.4° |
| N23 | N24 | C25 | 109.2° | 108.8° |
| N24 | C25 | C26 | 121.9° | 127.0° |
| N24 | C25 | C35 | 107.8° | 106.2° |
| C25 | C26 | C27 | 119.5° | 120.0° |
| C25 | C26 | C30 | 120.4° | 120.1° |
| C26 | C25 | C35 | 130.2° | 126.9° |
| C26 | C27 | C28 | 119.1° | 119.9° |
| C27 | C26 | C30 | 119.8° | 119.9° |
| C26 | C27 | H27 | 120.4° | 120.0° |
| C27 | C28 | F29 | 119.7° | 120.0° |
| C27 | C28 | C33 | 121.8° | 120.1° |
| C28 | C27 | H27 | 120.4° | 120.0° |
| F29 | C28 | C33 | 118.5° | 119.9° |
| C26 | C30 | C31 | 119.0° | 119.9° |
| C26 | C30 | H30 | 120.5° | 120.0° |
| C30 | C31 | F32 | 119.9° | 120.0° |
| C30 | C31 | C33 | 121.6° | 120.1° |
| C31 | C30 | H30 | 120.5° | 120.1° |
| F32 | C31 | C33 | 118.4° | 119.9° |
| C31 | C33 | F34 | 120.8° | 119.9° |
| C31 | C33 | C28 | 118.6° | 120.1° |
| F34 | C33 | C28 | 120.7° | 120.0° |
| C25 | C35 | N22 | 105.2° | 106.1° |
| C25 | C35 | H35 | 127.4° | 127.0° |
| O36 | C20 | H20 | 111.6° | 109.5° |
| C20 | O36 | H36 | 109.5° | 114.0° |
| C19 | O37 | C38 | 112.0° | 114.1° |
| O37 | C19 | H19 | 112.1° | 109.5° |
| O37 | C38 | C39 | 107.6° | 109.5° |
| O37 | C38 | C41 | 108.9° | 109.5° |
| O37 | C38 | H38 | 110.1° | 109.4° |
| C38 | C39 | O40 | 110.7° | 109.5° |
| C39 | C38 | C41 | 111.9° | 109.5° |
| C39 | C38 | H38 | 109.2° | 109.4° |
| C38 | C39 | H39A | 109.2° | 109.5° |
| C38 | C39 | H39B | 109.2° | 109.4° |
| O40 | C39 | H39A | 109.2° | 109.5° |
| O40 | C39 | H39B | 109.2° | 109.5° |
| C39 | O40 | H40 | 109.5° | 114.0° |
| C38 | C41 | O42 | 108.5° | 109.5° |
| C38 | C41 | C21 | 109.2° | 109.1° |
| C41 | C38 | H38 | 109.0° | 109.5° |
| C38 | C41 | H41 | 109.3° | 109.5° |
| O42 | C41 | C21 | 110.2° | 109.5° |
| O42 | C41 | H41 | 110.5° | 109.6° |
| C41 | O42 | H42 | 109.5° | 114.0° |
| C14 | C11 | H11A | 109.1° | 109.5° |
| C14 | C11 | H11B | 109.1° | 109.5° |
| C41 | C21 | H21 | 107.4° | 109.6° |
| C21 | C41 | H41 | 109.2° | 109.6° |
| N22 | C35 | H35 | 127.4° | 126.9° |
| H10A | C10 | H10B | 109.4° | 109.5° |
| H13A | C13 | H13B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1C | 109.5° | 109.4° |
| H1B | C1 | H1C | 109.4° | 109.4° |
| H11A | C11 | H11B | 109.4° | 109.5° |
| H12A | C12 | H12B | 109.5° | 109.5° |
| H39A | C39 | H39B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C7 | 178.8° | 180.0° |
| C1 | C2 | C3 | C4 | 179.7° | 179.5° |
| C1 | C2 | C7 | N6 | 179.8° | 179.2° |
| C1 | C2 | C7 | C8 | 0.7° | 0.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1C | 120.0° | 120.0° |
| C2 | C1 | H1B | H1C | 120.0° | 120.1° |
| C1 | C2 | C3 | H3 | 0.3° | 0.5° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.0° | 0.0° |
| C3 | C2 | C7 | N6 | 1.4° | 0.8° |
| C3 | C2 | C7 | C8 | 179.5° | 180.0° |
| C2 | C3 | C4 | H4 | 179.0° | 179.7° |
| C3 | C2 | C1 | H1A | 89.4° | 95.7° |
| C3 | C2 | C1 | H1B | 150.6° | 24.3° |
| C3 | C2 | C1 | H1C | 30.6° | 144.3° |
| C3 | C4 | C5 | H4 | 180.0° | 179.7° |
| C3 | C4 | C5 | N6 | 0.2° | 0.3° |
| C4 | C3 | C2 | C7 | 1.5° | 0.5° |
| C3 | C4 | C5 | H5 | 179.8° | 179.8° |
| C4 | C5 | N6 | H5 | 180.0° | 179.9° |
| C4 | C5 | N6 | C7 | 0.1° | 0.0° |
| C5 | C4 | C3 | H3 | 179.0° | 180.0° |
| C5 | N6 | C7 | C8 | 179.8° | 179.7° |
| C5 | N6 | C7 | C2 | 0.6° | 0.5° |
| N6 | C5 | C4 | H4 | 179.7° | 180.0° |
| N6 | C7 | C8 | C2 | 179.2° | 179.3° |
| N6 | C7 | C8 | C9 | 70.6° | 80.9° |
| N6 | C7 | C8 | S18 | 59.4° | 39.1° |
| C7 | N6 | C5 | H5 | 179.9° | 180.0° |
| N6 | C7 | C8 | H8 | 171.8° | 159.1° |
| C7 | C8 | C9 | S18 | 128.4° | 120.1° |
| C7 | C8 | C9 | H8 | 117.8° | 120.0° |
| C7 | C8 | C9 | C10 | 75.9° | 175.0° |
| C7 | C8 | C9 | C12 | 48.2° | 55.0° |
| C7 | C8 | C9 | O17 | 166.5° | 64.9° |
| C7 | C8 | S18 | H8 | 114.1° | 120.1° |
| C7 | C8 | S18 | C19 | 85.7° | 65.0° |
| C8 | C9 | C10 | C12 | 125.1° | 119.9° |
| C8 | C9 | C10 | O17 | 118.4° | 120.0° |
| C8 | C9 | C10 | C11 | 179.6° | 180.0° |
| C8 | C9 | C12 | O17 | 118.2° | 120.0° |
| C8 | C9 | C12 | C13 | 178.4° | 180.0° |
| C9 | C8 | S18 | H8 | 115.2° | 119.9° |
| C9 | C8 | S18 | C19 | 143.6° | 175.0° |
| C9 | C8 | C7 | C2 | 108.6° | 98.3° |
| C8 | C9 | C10 | H10A | 59.1° | 60.1° |
| C8 | C9 | C10 | H10B | 59.9° | 60.0° |
| C8 | C9 | C12 | H12A | 61.2° | 60.0° |
| C8 | C9 | C12 | H12B | 57.9° | 60.0° |
| C8 | C9 | O17 | H17 | 180.0° | 180.0° |
| C9 | C10 | C11 | H10A | 120.5° | 120.0° |
| C9 | C10 | C11 | H10B | 120.5° | 120.1° |
| C10 | C9 | C12 | O17 | 115.5° | 120.1° |
| C10 | C9 | C12 | C13 | 55.3° | 60.0° |
| C10 | C9 | C8 | S18 | 52.5° | 54.9° |
| C9 | C10 | C11 | C14 | 53.5° | 60.0° |
| C10 | C9 | C8 | H8 | 166.3° | 65.0° |
| C9 | C10 | H10A | H10B | 118.5° | 120.1° |
| C9 | C10 | C11 | H11A | 66.8° | 59.9° |
| C9 | C10 | C11 | H11B | 173.7° | 180.0° |
| C10 | C9 | C12 | H12A | 65.1° | 180.0° |
| C10 | C9 | C12 | H12B | 175.7° | 60.0° |
| C10 | C9 | O17 | H17 | 57.9° | 60.0° |
| C11 | C10 | C9 | C12 | 55.3° | 60.1° |
| C10 | C11 | C14 | C13 | 52.1° | 60.0° |
| C10 | C11 | C14 | F15 | 71.0° | 60.0° |
| C10 | C11 | C14 | F16 | 175.6° | 180.0° |
| C11 | C10 | C9 | O17 | 61.2° | 60.0° |
| C10 | C11 | C14 | H11A | 120.3° | 120.0° |
| C10 | C11 | C14 | H11B | 120.2° | 120.0° |
| C11 | C10 | H10A | H10B | 118.5° | 120.0° |
| C10 | C11 | H11A | H11B | 119.3° | 120.0° |
| C9 | C12 | C13 | H12A | 120.4° | 120.0° |
| C9 | C12 | C13 | H12B | 120.4° | 120.0° |
| C9 | C12 | C13 | C14 | 53.9° | 60.0° |
| C12 | C9 | C8 | S18 | 176.6° | 65.0° |
| C12 | C9 | C8 | H8 | 69.6° | 175.0° |
| C12 | C9 | C10 | H10A | 175.8° | 180.0° |
| C12 | C9 | C10 | H10B | 65.2° | 60.0° |
| C9 | C12 | C13 | H13A | 174.1° | 180.0° |
| C9 | C12 | C13 | H13B | 66.3° | 60.0° |
| C9 | C12 | H12A | H12B | 118.7° | 120.0° |
| C12 | C9 | O17 | H17 | 59.6° | 60.0° |
| C12 | C13 | C14 | H13A | 120.2° | 119.9° |
| C12 | C13 | C14 | H13B | 120.2° | 120.0° |
| C12 | C13 | C14 | F15 | 70.9° | 60.0° |
| C12 | C13 | C14 | F16 | 175.6° | 180.0° |
| C13 | C12 | C9 | O17 | 60.1° | 60.0° |
| C12 | C13 | C14 | C11 | 52.4° | 60.1° |
| C12 | C13 | H13A | H13B | 119.4° | 120.0° |
| C13 | C12 | H12A | H12B | 118.7° | 120.0° |
| C13 | C14 | F15 | F16 | 117.2° | 120.0° |
| C13 | C14 | F15 | C11 | 126.1° | 120.0° |
| C13 | C14 | F16 | C11 | 126.3° | 119.9° |
| C14 | C13 | H13A | H13B | 119.4° | 120.0° |
| C13 | C14 | C11 | H11A | 68.1° | 60.0° |
| C13 | C14 | C11 | H11B | 172.4° | 180.0° |
| C14 | C13 | C12 | H12A | 66.6° | 180.0° |
| C14 | C13 | C12 | H12B | 174.3° | 59.9° |
| F15 | C14 | F16 | C11 | 116.8° | 120.0° |
| F15 | C14 | C13 | H13A | 49.4° | 60.0° |
| F15 | C14 | C13 | H13B | 168.9° | 180.0° |
| F15 | C14 | C11 | H11A | 168.7° | 180.0° |
| F15 | C14 | C11 | H11B | 49.2° | 60.0° |
| F16 | C14 | C13 | H13A | 64.2° | 60.1° |
| F16 | C14 | C13 | H13B | 55.4° | 60.0° |
| F16 | C14 | C11 | H11A | 55.4° | 60.0° |
| F16 | C14 | C11 | H11B | 64.1° | 60.0° |
| O17 | C9 | C8 | S18 | 65.1° | 175.0° |
| O17 | C9 | C8 | H8 | 48.7° | 55.1° |
| O17 | C9 | C10 | H10A | 59.3° | 60.0° |
| O17 | C9 | C10 | H10B | 178.3° | 180.0° |
| O17 | C9 | C12 | H12A | 179.4° | 59.9° |
| O17 | C9 | C12 | H12B | 60.3° | 180.0° |
| C8 | S18 | C19 | C20 | 175.9° | 175.0° |
| C8 | S18 | C19 | O37 | 56.3° | 65.1° |
| S18 | C8 | C7 | C2 | 121.5° | 141.7° |
| C8 | S18 | C19 | H19 | 63.8° | 55.0° |
| S18 | C19 | C20 | O37 | 117.1° | 120.0° |
| S18 | C19 | C20 | H19 | 118.3° | 120.0° |
| S18 | C19 | C20 | C21 | 175.0° | 177.6° |
| S18 | C19 | C20 | O36 | 67.6° | 62.5° |
| S18 | C19 | O37 | H19 | 116.9° | 120.0° |
| S18 | C19 | O37 | C38 | 176.4° | 178.9° |
| C19 | S18 | C8 | H8 | 28.4° | 55.1° |
| S18 | C19 | C20 | H20 | 55.2° | 57.6° |
| C19 | C20 | C21 | O36 | 117.9° | 119.9° |
| C19 | C20 | C21 | H20 | 119.8° | 120.0° |
| C19 | C20 | C21 | N22 | 177.7° | 176.9° |
| C19 | C20 | O36 | H20 | 121.8° | 120.2° |
| C20 | C19 | O37 | H19 | 123.6° | 120.0° |
| C20 | C19 | O37 | C38 | 64.2° | 61.1° |
| C19 | C20 | C21 | C41 | 54.7° | 57.0° |
| C19 | C20 | C21 | H21 | 62.5° | 63.0° |
| C19 | C20 | O36 | H36 | 180.0° | 60.4° |
| C20 | C21 | N22 | C41 | 124.4° | 119.6° |
| C20 | C21 | N22 | H21 | 119.3° | 120.2° |
| C20 | C21 | N22 | N23 | 122.6° | 145.0° |
| C21 | C20 | O36 | H20 | 121.3° | 120.1° |
| C21 | C20 | C19 | O37 | 57.9° | 57.6° |
| C20 | C21 | C41 | C38 | 55.7° | 56.9° |
| C20 | C21 | C41 | O42 | 63.4° | 62.9° |
| C20 | C21 | C41 | H21 | 117.1° | 119.9° |
| C20 | C21 | N22 | C35 | 59.2° | 34.7° |
| C21 | C20 | C19 | H19 | 66.7° | 62.4° |
| C21 | C20 | O36 | H36 | 63.1° | 179.9° |
| C20 | C21 | C41 | H41 | 175.1° | 176.9° |
| C21 | N22 | N23 | C35 | 178.5° | 179.7° |
| C21 | N22 | N23 | N24 | 179.1° | 180.0° |
| C21 | N22 | C35 | C25 | 179.1° | 179.9° |
| N22 | C21 | C20 | O36 | 64.3° | 63.3° |
| N22 | C21 | C41 | C38 | 178.3° | 176.8° |
| N22 | C21 | C41 | O42 | 62.6° | 57.0° |
| N22 | C21 | C41 | H21 | 116.9° | 120.2° |
| N22 | C21 | C20 | H20 | 58.0° | 56.9° |
| C21 | N22 | C35 | H35 | 0.9° | 0.2° |
| N22 | C21 | C41 | H41 | 58.9° | 63.2° |
| N22 | N23 | N24 | C25 | 0.2° | 0.0° |
| N23 | N22 | C35 | C25 | 0.8° | 0.4° |
| N23 | N22 | C21 | C41 | 113.0° | 95.4° |
| N23 | N22 | C21 | H21 | 3.4° | 24.8° |
| N23 | N22 | C35 | H35 | 179.2° | 180.0° |
| N23 | N24 | C25 | C26 | 178.9° | 179.9° |
| N23 | N24 | C25 | C35 | 0.3° | 0.3° |
| N24 | N23 | N22 | C35 | 0.6° | 0.3° |
| N24 | C25 | C26 | C35 | 178.3° | 179.8° |
| N24 | C25 | C26 | C27 | 160.7° | 0.1° |
| N24 | C25 | C26 | C30 | 13.9° | 179.7° |
| N24 | C25 | C35 | N22 | 0.6° | 0.4° |
| N24 | C25 | C35 | H35 | 179.4° | 180.0° |
| C25 | C26 | C27 | C30 | 174.7° | 179.6° |
| C25 | C26 | C27 | C28 | 177.5° | 179.7° |
| C25 | C26 | C30 | C31 | 177.2° | 179.7° |
| C26 | C25 | C35 | N22 | 179.1° | 179.8° |
| C25 | C26 | C27 | H27 | 2.5° | 0.3° |
| C25 | C26 | C30 | H30 | 2.8° | 0.3° |
| C26 | C25 | C35 | H35 | 0.9° | 0.1° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | F29 | 179.2° | 180.0° |
| C27 | C26 | C30 | C31 | 2.6° | 0.1° |
| C27 | C26 | C25 | C35 | 17.6° | 179.7° |
| C26 | C27 | C28 | C33 | 1.3° | 0.1° |
| C27 | C26 | C30 | H30 | 177.4° | 179.9° |
| C27 | C28 | F29 | C33 | 179.5° | 180.0° |
| C28 | C27 | C26 | C30 | 2.8° | 0.1° |
| C27 | C28 | C33 | C31 | 0.3° | 0.0° |
| C27 | C28 | C33 | F34 | 179.9° | 180.0° |
| F29 | C28 | C33 | C31 | 179.1° | 180.0° |
| F29 | C28 | C33 | F34 | 0.4° | 0.0° |
| F29 | C28 | C27 | H27 | 0.8° | 0.0° |
| C26 | C30 | C31 | H30 | 180.0° | 180.0° |
| C26 | C30 | C31 | F32 | 178.8° | 179.9° |
| C26 | C30 | C31 | C33 | 0.9° | 0.0° |
| C30 | C26 | C25 | C35 | 167.8° | 0.1° |
| C30 | C26 | C27 | H27 | 177.2° | 180.0° |
| C30 | C31 | F32 | C33 | 179.7° | 179.9° |
| C30 | C31 | C33 | F34 | 179.9° | 180.0° |
| C30 | C31 | C33 | C28 | 0.6° | 0.0° |
| F32 | C31 | C33 | F34 | 0.2° | 0.0° |
| F32 | C31 | C33 | C28 | 179.7° | 180.0° |
| F32 | C31 | C30 | H30 | 1.2° | 0.1° |
| C31 | C33 | F34 | C28 | 179.5° | 180.0° |
| C33 | C31 | C30 | H30 | 179.1° | 180.0° |
| C25 | C35 | N22 | H35 | 180.0° | 179.6° |
| O36 | C20 | C19 | O37 | 175.3° | 177.5° |
| O36 | C20 | C21 | C41 | 172.6° | 176.9° |
| O36 | C20 | C21 | H21 | 55.5° | 56.9° |
| O36 | C20 | C19 | H19 | 50.7° | 57.5° |
| C19 | O37 | C38 | C39 | 175.1° | 178.8° |
| C19 | O37 | C38 | C41 | 63.4° | 61.1° |
| O37 | C19 | C20 | H20 | 61.9° | 62.4° |
| C19 | O37 | C38 | H38 | 56.2° | 58.9° |
| O37 | C38 | C39 | C41 | 119.6° | 120.0° |
| O37 | C38 | C39 | H38 | 119.5° | 119.9° |
| O37 | C38 | C39 | O40 | 62.3° | 64.9° |
| O37 | C38 | C41 | H38 | 120.2° | 119.9° |
| O37 | C38 | C41 | O42 | 62.3° | 62.3° |
| O37 | C38 | C41 | C21 | 57.8° | 57.5° |
| C38 | O37 | C19 | H19 | 59.5° | 58.9° |
| O37 | C38 | C39 | H39A | 177.5° | 175.0° |
| O37 | C38 | C39 | H39B | 57.9° | 55.1° |
| O37 | C38 | C41 | H41 | 177.1° | 177.5° |
| C38 | C39 | O40 | H39A | 120.2° | 120.0° |
| C38 | C39 | O40 | H39B | 120.2° | 120.0° |
| C39 | C38 | C41 | H38 | 120.9° | 120.0° |
| C39 | C38 | C41 | O42 | 56.5° | 57.8° |
| C39 | C38 | C41 | C21 | 176.6° | 177.6° |
| C38 | C39 | H39A | H39B | 119.4° | 120.0° |
| C38 | C39 | O40 | H40 | 180.0° | 180.0° |
| C39 | C38 | C41 | H41 | 64.0° | 62.4° |
| O40 | C39 | C38 | C41 | 178.1° | 175.0° |
| O40 | C39 | C38 | H38 | 57.3° | 55.0° |
| O40 | C39 | H39A | H39B | 119.4° | 120.0° |
| C38 | C41 | O42 | C21 | 119.5° | 119.6° |
| C38 | C41 | O42 | H41 | 119.8° | 120.1° |
| C38 | C41 | C21 | H41 | 119.4° | 119.9° |
| C38 | C41 | C21 | H21 | 61.4° | 63.0° |
| C41 | C38 | C39 | H39A | 57.9° | 55.0° |
| C41 | C38 | C39 | H39B | 61.7° | 65.0° |
| C38 | C41 | O42 | H42 | 180.0° | 60.1° |
| O42 | C41 | C21 | H41 | 121.5° | 120.2° |
| O42 | C41 | C21 | H21 | 179.5° | 177.2° |
| O42 | C41 | C38 | H38 | 177.4° | 177.7° |
| C2 | C7 | C8 | H8 | 9.0° | 21.6° |
| C7 | C2 | C1 | H1A | 89.4° | 84.2° |
| C7 | C2 | C1 | H1B | 30.6° | 155.7° |
| C7 | C2 | C1 | H1C | 150.6° | 35.7° |
| C7 | C2 | C3 | H3 | 178.5° | 179.5° |
| C14 | C11 | C10 | H10A | 173.9° | 180.0° |
| C14 | C11 | C10 | H10B | 67.0° | 60.0° |
| C11 | C14 | C13 | H13A | 172.6° | 180.0° |
| C11 | C14 | C13 | H13B | 67.9° | 60.0° |
| C14 | C11 | H11A | H11B | 119.3° | 120.0° |
| C41 | C21 | N22 | C35 | 65.2° | 84.9° |
| C41 | C21 | C20 | H20 | 65.1° | 63.0° |
| C21 | C41 | C38 | H38 | 62.5° | 62.4° |
| C21 | C41 | O42 | H42 | 60.5° | 179.7° |
| C35 | N22 | C21 | H21 | 178.4° | 154.9° |
| C33 | C28 | C27 | H27 | 178.7° | 180.0° |
| H4 | C4 | C5 | H5 | 0.3° | 0.0° |
| H4 | C4 | C3 | H3 | 1.0° | 0.3° |
| H10A | C10 | C11 | H11A | 53.7° | 60.0° |
| H10A | C10 | C11 | H11B | 65.8° | 60.0° |
| H10B | C10 | C11 | H11A | 172.7° | 180.0° |
| H10B | C10 | C11 | H11B | 53.2° | 60.0° |
| H13A | C13 | C12 | H12A | 53.6° | 60.0° |
| H13A | C13 | C12 | H12B | 65.5° | 60.0° |
| H13B | C13 | C12 | H12A | 173.2° | 59.9° |
| H13B | C13 | C12 | H12B | 54.1° | 180.0° |
| H20 | C20 | C21 | H21 | 177.7° | 177.0° |
| H20 | C20 | C19 | H19 | 173.5° | 177.7° |
| H20 | C20 | O36 | H36 | 58.2° | 59.8° |
| H21 | C21 | C41 | H41 | 58.0° | 57.0° |
| H1A | C1 | H1B | H1C | 120.0° | 119.9° |
| H38 | C38 | C39 | H39A | 62.9° | 65.0° |
| H38 | C38 | C39 | H39B | 177.5° | 175.0° |
| H38 | C38 | C41 | H41 | 56.9° | 57.6° |
| H39A | C39 | O40 | H40 | 59.8° | 60.0° |
| H39B | C39 | O40 | H40 | 59.8° | 60.0° |
| H41 | C41 | O42 | H42 | 60.2° | 60.1° |
