XNF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | P2 | doub | 1.48Å | 1.49Å | |
| P2 | O3 | sing | 1.61Å | 1.58Å | |
| O3 | C4 | sing | 1.43Å | 1.46Å | |
| P2 | O5 | sing | 1.61Å | 1.56Å | |
| O5 | C6 | sing | 1.43Å | 1.45Å | |
| P2 | C7 | sing | 1.82Å | 1.82Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C12 | P13 | sing | 1.82Å | 1.83Å | |
| P13 | O14 | sing | 1.61Å | 1.58Å | |
| O14 | C15 | sing | 1.43Å | 1.48Å | |
| P13 | O16 | sing | 1.61Å | 1.59Å | |
| O16 | C17 | sing | 1.43Å | 1.49Å | |
| P13 | O18 | doub | 1.48Å | 1.44Å | |
| C12 | N19 | sing | 1.47Å | 1.44Å | |
| N19 | C20 | sing | 1.40Å | 1.41Å | |
| C20 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.37Å | Aromatic |
| C23 | S24 | sing | 1.76Å | 1.76Å | |
| S24 | O25 | doub | 1.42Å | 1.47Å | |
| S24 | N26 | sing | 1.66Å | 1.63Å | |
| S24 | O27 | doub | 1.42Å | 1.43Å | |
| C23 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.37Å | Aromatic |
| C11 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | N32 | sing | 1.47Å | 1.45Å | |
| N32 | C33 | sing | 1.40Å | 1.38Å | |
| C33 | C34 | doub | 1.39Å | 1.39Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | S37 | sing | 1.76Å | 1.77Å | |
| S37 | O38 | doub | 1.42Å | 1.47Å | |
| S37 | N39 | sing | 1.66Å | 1.62Å | |
| S37 | O40 | doub | 1.42Å | 1.45Å | |
| C36 | C41 | sing | 1.38Å | 1.38Å | Aromatic |
| C41 | C42 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C20 | sing | 1.39Å | 1.36Å | Aromatic |
| C42 | C33 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | H4C | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C6 | H6C | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15C | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C17 | H17C | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| N19 | H19 | sing | 0.97Å | 1.00Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| N26 | H26A | sing | 0.97Å | 1.00Å | |
| N26 | H26B | sing | 0.97Å | 1.00Å | |
| 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 | |
| N32 | H32 | sing | 0.97Å | 1.00Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| N39 | H39A | sing | 0.97Å | 1.00Å | |
| N39 | H39B | sing | 0.97Å | 1.00Å | |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C42 | H42 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | P2 | O3 | 110.9° | 109.5° |
| O1 | P2 | O5 | 115.8° | 109.5° |
| O1 | P2 | C7 | 118.5° | 109.4° |
| P2 | O3 | C4 | 119.8° | 123.0° |
| O3 | P2 | O5 | 108.4° | 109.5° |
| O3 | P2 | C7 | 103.7° | 109.5° |
| O3 | C4 | H4C | 109.5° | 109.5° |
| O3 | C4 | H4A | 109.5° | 109.5° |
| O3 | C4 | H4B | 109.5° | 109.5° |
| P2 | O5 | C6 | 120.0° | 123.0° |
| O5 | P2 | C7 | 98.2° | 109.5° |
| O5 | C6 | H6C | 109.5° | 109.5° |
| O5 | C6 | H6B | 109.5° | 109.5° |
| O5 | C6 | H6A | 109.5° | 109.5° |
| P2 | C7 | C8 | 118.0° | 109.4° |
| P2 | C7 | N32 | 108.3° | 109.5° |
| P2 | C7 | H7 | 103.0° | 109.4° |
| C7 | C8 | C9 | 121.4° | 120.0° |
| C8 | C7 | N32 | 114.2° | 109.5° |
| C7 | C8 | C31 | 120.7° | 120.0° |
| C8 | C7 | H7 | 105.7° | 109.5° |
| C8 | C9 | C10 | 120.7° | 120.0° |
| C9 | C8 | C31 | 117.9° | 120.0° |
| C8 | C9 | H9 | 119.7° | 120.0° |
| C9 | C10 | C11 | 121.7° | 119.9° |
| C10 | C9 | H9 | 119.7° | 120.0° |
| C9 | C10 | H10 | 119.1° | 120.0° |
| C10 | C11 | C12 | 119.6° | 120.0° |
| C10 | C11 | C30 | 117.3° | 120.0° |
| C11 | C10 | H10 | 119.2° | 120.0° |
| C11 | C12 | P13 | 110.5° | 109.5° |
| C11 | C12 | N19 | 113.7° | 109.5° |
| C12 | C11 | C30 | 122.8° | 120.0° |
| C11 | C12 | H12 | 109.2° | 109.5° |
| C12 | P13 | O14 | 102.6° | 109.5° |
| C12 | P13 | O16 | 108.2° | 109.5° |
| C12 | P13 | O18 | 111.8° | 109.5° |
| P13 | C12 | N19 | 106.8° | 109.5° |
| P13 | C12 | H12 | 105.9° | 109.4° |
| P13 | O14 | C15 | 124.0° | 123.0° |
| O14 | P13 | O16 | 110.5° | 109.5° |
| O14 | P13 | O18 | 116.2° | 109.5° |
| O14 | C15 | H15A | 109.5° | 109.5° |
| O14 | C15 | H15C | 109.5° | 109.5° |
| O14 | C15 | H15B | 109.5° | 109.4° |
| P13 | O16 | C17 | 126.4° | 123.0° |
| O16 | P13 | O18 | 107.4° | 109.5° |
| O16 | C17 | H17C | 109.5° | 109.5° |
| O16 | C17 | H17B | 109.5° | 109.5° |
| O16 | C17 | H17A | 109.5° | 109.4° |
| C12 | N19 | C20 | 123.2° | 120.0° |
| N19 | C12 | H12 | 110.4° | 109.4° |
| C12 | N19 | H19 | 105.9° | 120.0° |
| N19 | C20 | C21 | 128.3° | 120.1° |
| N19 | C20 | C29 | 111.6° | 120.1° |
| C20 | N19 | H19 | 105.9° | 120.0° |
| C20 | C21 | C22 | 120.4° | 119.9° |
| C21 | C20 | C29 | 119.4° | 119.8° |
| C20 | C21 | H21 | 119.8° | 120.0° |
| C21 | C22 | C23 | 119.2° | 120.0° |
| C22 | C21 | H21 | 119.8° | 120.0° |
| C21 | C22 | H22 | 120.4° | 120.0° |
| C22 | C23 | S24 | 120.6° | 119.9° |
| C22 | C23 | C28 | 120.3° | 120.2° |
| C23 | C22 | H22 | 120.4° | 120.0° |
| C23 | S24 | O25 | 105.8° | 106.4° |
| C23 | S24 | N26 | 110.4° | 107.2° |
| C23 | S24 | O27 | 106.3° | 106.4° |
| S24 | C23 | C28 | 119.1° | 119.9° |
| O25 | S24 | N26 | 109.0° | 106.4° |
| O25 | S24 | O27 | 115.4° | 123.2° |
| N26 | S24 | O27 | 109.9° | 106.4° |
| S24 | N26 | H26A | 109.5° | 120.0° |
| S24 | N26 | H26B | 109.4° | 120.0° |
| C23 | C28 | C29 | 119.4° | 120.1° |
| C23 | C28 | H28 | 120.3° | 120.0° |
| C28 | C29 | C20 | 121.3° | 120.0° |
| C29 | C28 | H28 | 120.3° | 120.0° |
| C28 | C29 | H29 | 119.4° | 120.1° |
| C11 | C30 | C31 | 121.4° | 120.0° |
| C11 | C30 | H30 | 119.3° | 120.0° |
| C30 | C31 | C8 | 121.0° | 120.0° |
| C31 | C30 | H30 | 119.3° | 120.0° |
| C30 | C31 | H31 | 119.5° | 120.0° |
| C7 | N32 | C33 | 120.1° | 120.0° |
| N32 | C7 | H7 | 106.5° | 109.5° |
| C7 | N32 | H32 | 106.8° | 119.9° |
| N32 | C33 | C34 | 122.3° | 120.1° |
| N32 | C33 | C42 | 118.0° | 120.1° |
| C33 | N32 | H32 | 106.7° | 120.1° |
| C33 | C34 | C35 | 120.3° | 119.9° |
| C34 | C33 | C42 | 119.6° | 119.9° |
| C33 | C34 | H34 | 119.9° | 120.1° |
| C34 | C35 | C36 | 119.2° | 120.1° |
| C35 | C34 | H34 | 119.9° | 120.0° |
| C34 | C35 | H35 | 120.4° | 120.0° |
| C35 | C36 | S37 | 119.3° | 119.9° |
| C35 | C36 | C41 | 121.1° | 120.2° |
| C36 | C35 | H35 | 120.4° | 120.0° |
| C36 | S37 | O38 | 108.7° | 106.4° |
| C36 | S37 | N39 | 105.5° | 107.2° |
| C36 | S37 | O40 | 106.3° | 106.4° |
| S37 | C36 | C41 | 119.6° | 120.0° |
| O38 | S37 | N39 | 107.4° | 106.4° |
| O38 | S37 | O40 | 119.5° | 123.2° |
| N39 | S37 | O40 | 108.6° | 106.4° |
| S37 | N39 | H39A | 109.5° | 120.0° |
| S37 | N39 | H39B | 109.4° | 120.1° |
| C36 | C41 | C42 | 119.3° | 120.1° |
| C36 | C41 | H41 | 120.3° | 120.0° |
| C41 | C42 | C33 | 120.5° | 119.9° |
| C42 | C41 | H41 | 120.4° | 119.9° |
| C41 | C42 | H42 | 119.7° | 120.0° |
| C8 | C31 | H31 | 119.5° | 120.0° |
| C20 | C29 | H29 | 119.4° | 120.0° |
| C33 | C42 | H42 | 119.7° | 120.1° |
| H4C | C4 | H4A | 109.5° | 109.5° |
| H4C | C4 | H4B | 109.5° | 109.5° |
| H4A | C4 | H4B | 109.5° | 109.5° |
| H6C | C6 | H6B | 109.4° | 109.4° |
| H6C | C6 | H6A | 109.4° | 109.5° |
| H6B | C6 | H6A | 109.5° | 109.4° |
| H15A | C15 | H15C | 109.5° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.5° |
| H15C | C15 | H15B | 109.4° | 109.5° |
| H17C | C17 | H17B | 109.4° | 109.5° |
| H17C | C17 | H17A | 109.5° | 109.5° |
| H17B | C17 | H17A | 109.5° | 109.5° |
| H26A | N26 | H26B | 109.5° | 120.0° |
| H39A | N39 | H39B | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | P2 | O3 | O5 | 128.1° | 120.0° |
| O1 | P2 | O3 | C7 | 128.2° | 120.0° |
| O1 | P2 | O3 | C4 | 31.0° | 54.0° |
| O1 | P2 | O5 | C7 | 127.2° | 120.0° |
| O1 | P2 | O5 | C6 | 63.2° | 55.0° |
| O1 | P2 | C7 | C8 | 30.1° | 55.9° |
| O1 | P2 | C7 | N32 | 101.5° | 64.1° |
| O1 | P2 | C7 | H7 | 146.0° | 175.9° |
| O3 | P2 | O5 | C7 | 107.5° | 120.0° |
| O3 | P2 | O5 | C6 | 171.5° | 65.0° |
| O3 | P2 | C7 | C8 | 153.5° | 175.9° |
| O3 | P2 | C7 | N32 | 21.9° | 55.9° |
| P2 | O3 | C4 | H4C | 180.0° | 66.6° |
| P2 | O3 | C4 | H4A | 60.0° | 173.4° |
| P2 | O3 | C4 | H4B | 60.0° | 53.4° |
| O3 | P2 | C7 | H7 | 90.6° | 64.1° |
| C4 | O3 | P2 | O5 | 159.2° | 66.0° |
| C4 | O3 | P2 | C7 | 97.2° | 174.0° |
| O3 | C4 | H4C | H4A | 120.0° | 120.0° |
| O3 | C4 | H4C | H4B | 120.0° | 120.0° |
| O3 | C4 | H4A | H4B | 120.0° | 120.0° |
| O5 | P2 | C7 | C8 | 95.2° | 64.1° |
| O5 | P2 | C7 | N32 | 133.2° | 175.9° |
| P2 | O5 | C6 | H6C | 180.0° | 180.0° |
| P2 | O5 | C6 | H6B | 60.0° | 60.0° |
| P2 | O5 | C6 | H6A | 60.0° | 60.0° |
| O5 | P2 | C7 | H7 | 20.7° | 55.9° |
| C6 | O5 | P2 | C7 | 64.0° | 175.0° |
| O5 | C6 | H6C | H6B | 120.0° | 120.0° |
| O5 | C6 | H6C | H6A | 120.0° | 120.0° |
| O5 | C6 | H6B | H6A | 120.0° | 120.0° |
| P2 | C7 | C8 | N32 | 128.9° | 120.0° |
| P2 | C7 | C8 | H7 | 114.5° | 120.0° |
| P2 | C7 | C8 | C9 | 62.2° | 95.0° |
| P2 | C7 | N32 | H7 | 110.2° | 120.0° |
| P2 | C7 | N32 | C33 | 100.2° | 103.9° |
| P2 | C7 | C8 | C31 | 115.6° | 84.8° |
| P2 | C7 | N32 | H32 | 138.3° | 76.1° |
| C7 | C8 | C9 | C31 | 177.8° | 179.8° |
| C7 | C8 | C9 | C10 | 177.5° | 180.0° |
| C7 | C8 | C31 | C30 | 177.5° | 179.8° |
| C8 | C7 | N32 | H7 | 116.2° | 120.0° |
| C8 | C7 | N32 | C33 | 126.2° | 136.1° |
| C7 | C8 | C9 | H9 | 2.5° | 0.1° |
| C7 | C8 | C31 | H31 | 2.5° | 0.1° |
| C8 | C7 | N32 | H32 | 4.7° | 43.9° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.5° | 0.0° |
| C9 | C8 | C31 | C30 | 0.3° | 0.4° |
| C9 | C8 | C7 | N32 | 66.7° | 144.9° |
| C9 | C8 | C7 | H7 | 176.6° | 24.9° |
| C8 | C9 | C10 | H10 | 179.5° | 180.0° |
| C9 | C8 | C31 | H31 | 179.7° | 180.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 171.8° | 180.0° |
| C9 | C10 | C11 | C30 | 1.3° | 0.1° |
| C10 | C9 | C8 | C31 | 0.3° | 0.2° |
| C10 | C11 | C12 | C30 | 172.6° | 180.0° |
| C10 | C11 | C12 | P13 | 71.1° | 95.0° |
| C10 | C11 | C12 | N19 | 168.7° | 145.0° |
| C10 | C11 | C30 | C31 | 1.3° | 0.1° |
| C11 | C10 | C9 | H9 | 179.5° | 180.0° |
| C10 | C11 | C12 | H12 | 45.0° | 25.0° |
| C10 | C11 | C30 | H30 | 178.7° | 180.0° |
| C11 | C12 | P13 | N19 | 124.2° | 120.1° |
| C11 | C12 | P13 | H12 | 118.2° | 120.0° |
| C11 | C12 | P13 | O14 | 69.9° | 64.1° |
| C11 | C12 | P13 | O16 | 47.0° | 175.9° |
| C11 | C12 | P13 | O18 | 165.0° | 55.9° |
| C11 | C12 | N19 | H12 | 123.1° | 120.0° |
| C11 | C12 | N19 | C20 | 129.1° | 136.6° |
| C12 | C11 | C30 | C31 | 171.5° | 179.9° |
| C12 | C11 | C10 | H10 | 8.2° | 0.0° |
| C11 | C12 | N19 | H19 | 7.2° | 43.4° |
| C12 | C11 | C30 | H30 | 8.5° | 0.0° |
| C12 | P13 | O14 | O16 | 115.2° | 120.0° |
| C12 | P13 | O14 | O18 | 122.2° | 120.0° |
| C12 | P13 | O14 | C15 | 113.4° | 175.0° |
| C12 | P13 | O16 | O18 | 120.8° | 120.0° |
| C12 | P13 | O16 | C17 | 163.9° | 173.3° |
| P13 | C12 | N19 | H12 | 114.7° | 119.9° |
| P13 | C12 | N19 | C20 | 108.6° | 103.4° |
| P13 | C12 | C11 | C30 | 101.5° | 85.1° |
| P13 | C12 | N19 | H19 | 129.4° | 76.6° |
| O14 | P13 | O16 | O18 | 127.6° | 120.0° |
| O14 | P13 | O16 | C17 | 84.5° | 66.7° |
| O14 | P13 | C12 | N19 | 166.0° | 175.9° |
| O14 | P13 | C12 | H12 | 48.3° | 55.9° |
| P13 | O14 | C15 | H15A | 180.0° | 180.0° |
| P13 | O14 | C15 | H15C | 60.0° | 59.9° |
| P13 | O14 | C15 | H15B | 60.0° | 60.1° |
| C15 | O14 | P13 | O16 | 1.8° | 65.0° |
| C15 | O14 | P13 | O18 | 124.4° | 55.0° |
| O14 | C15 | H15A | H15C | 120.0° | 120.1° |
| O14 | C15 | H15A | H15B | 120.0° | 119.9° |
| O14 | C15 | H15C | H15B | 120.0° | 120.0° |
| O16 | P13 | C12 | N19 | 77.2° | 55.8° |
| O16 | P13 | C12 | H12 | 165.1° | 64.1° |
| P13 | O16 | C17 | H17C | 180.0° | 53.3° |
| P13 | O16 | C17 | H17B | 60.0° | 66.7° |
| P13 | O16 | C17 | H17A | 60.0° | 173.3° |
| C17 | O16 | P13 | O18 | 43.1° | 53.3° |
| O16 | C17 | H17C | H17B | 120.0° | 120.0° |
| O16 | C17 | H17C | H17A | 120.0° | 119.9° |
| O16 | C17 | H17B | H17A | 120.0° | 119.9° |
| O18 | P13 | C12 | N19 | 40.8° | 64.2° |
| O18 | P13 | C12 | H12 | 76.8° | 175.9° |
| C12 | N19 | C20 | H19 | 121.9° | 180.0° |
| C12 | N19 | C20 | C21 | 37.3° | 176.5° |
| N19 | C12 | C11 | C30 | 18.6° | 35.0° |
| C12 | N19 | C20 | C29 | 152.7° | 3.2° |
| N19 | C20 | C21 | C29 | 169.3° | 179.7° |
| N19 | C20 | C21 | C22 | 168.4° | 180.0° |
| N19 | C20 | C29 | C28 | 170.1° | 179.8° |
| C20 | N19 | C12 | H12 | 6.0° | 16.5° |
| N19 | C20 | C21 | H21 | 11.6° | 0.1° |
| N19 | C20 | C29 | H29 | 9.9° | 0.3° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.3° | 0.1° |
| C21 | C20 | C29 | C28 | 0.9° | 0.5° |
| C21 | C20 | N19 | H19 | 84.6° | 3.6° |
| C20 | C21 | C22 | H22 | 179.7° | 179.9° |
| C21 | C20 | C29 | H29 | 179.1° | 180.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | S24 | 179.2° | 180.0° |
| C21 | C22 | C23 | C28 | 0.3° | 0.0° |
| C22 | C21 | C20 | C29 | 0.9° | 0.3° |
| C22 | C23 | S24 | C28 | 179.5° | 180.0° |
| C22 | C23 | S24 | O25 | 168.3° | 23.5° |
| C22 | C23 | S24 | N26 | 50.5° | 90.0° |
| C22 | C23 | S24 | O27 | 68.6° | 156.4° |
| C22 | C23 | C28 | C29 | 0.3° | 0.3° |
| C23 | C22 | C21 | H21 | 179.7° | 180.0° |
| C22 | C23 | C28 | H28 | 179.7° | 180.0° |
| C23 | S24 | O25 | N26 | 118.7° | 114.0° |
| C23 | S24 | O25 | O27 | 117.2° | 123.0° |
| C23 | S24 | N26 | O27 | 116.9° | 113.5° |
| S24 | C23 | C28 | C29 | 179.2° | 179.7° |
| S24 | C23 | C22 | H22 | 0.7° | 0.0° |
| C23 | S24 | N26 | H26A | 180.0° | 150.0° |
| C23 | S24 | N26 | H26B | 60.0° | 29.9° |
| S24 | C23 | C28 | H28 | 0.8° | 0.0° |
| O25 | S24 | N26 | O27 | 127.3° | 133.0° |
| O25 | S24 | C23 | C28 | 12.2° | 156.5° |
| O25 | S24 | N26 | H26A | 64.2° | 96.5° |
| O25 | S24 | N26 | H26B | 55.8° | 83.6° |
| N26 | S24 | C23 | C28 | 129.9° | 90.0° |
| S24 | N26 | H26A | H26B | 120.0° | 179.9° |
| O27 | S24 | C23 | C28 | 111.0° | 23.5° |
| O27 | S24 | N26 | H26A | 63.0° | 36.4° |
| O27 | S24 | N26 | H26B | 176.9° | 143.4° |
| C23 | C28 | C29 | H28 | 180.0° | 179.7° |
| C23 | C28 | C29 | C20 | 0.3° | 0.5° |
| C28 | C23 | C22 | H22 | 179.7° | 179.9° |
| C23 | C28 | C29 | H29 | 179.7° | 180.0° |
| C28 | C29 | C20 | H29 | 180.0° | 179.5° |
| C11 | C30 | C31 | H30 | 180.0° | 179.9° |
| C11 | C30 | C31 | C8 | 0.5° | 0.3° |
| C30 | C11 | C10 | H10 | 178.7° | 179.9° |
| C30 | C11 | C12 | H12 | 142.4° | 155.0° |
| C11 | C30 | C31 | H31 | 179.5° | 180.0° |
| C30 | C31 | C8 | H31 | 180.0° | 179.7° |
| C7 | N32 | C33 | H32 | 121.5° | 180.0° |
| C7 | N32 | C33 | C34 | 10.2° | 177.1° |
| N32 | C7 | C8 | C31 | 115.5° | 35.2° |
| C7 | N32 | C33 | C42 | 167.9° | 2.6° |
| N32 | C33 | C34 | C42 | 178.0° | 179.7° |
| N32 | C33 | C34 | C35 | 177.9° | 180.0° |
| N32 | C33 | C42 | C41 | 177.8° | 179.8° |
| C33 | N32 | C7 | H7 | 10.0° | 16.1° |
| N32 | C33 | C34 | H34 | 2.1° | 0.1° |
| N32 | C33 | C42 | H42 | 2.2° | 0.2° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.1° | 0.0° |
| C34 | C33 | C42 | C41 | 0.2° | 0.5° |
| C34 | C33 | N32 | H32 | 131.7° | 2.9° |
| C33 | C34 | C35 | H35 | 179.9° | 180.0° |
| C34 | C33 | C42 | H42 | 179.8° | 179.9° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | S37 | 178.2° | 180.0° |
| C34 | C35 | C36 | C41 | 0.1° | 0.1° |
| C35 | C34 | C33 | C42 | 0.1° | 0.3° |
| C35 | C36 | S37 | C41 | 178.2° | 180.0° |
| C35 | C36 | S37 | O38 | 165.9° | 23.6° |
| C35 | C36 | S37 | N39 | 79.1° | 90.0° |
| C35 | C36 | S37 | O40 | 36.0° | 156.4° |
| C35 | C36 | C41 | C42 | 0.1° | 0.3° |
| C36 | C35 | C34 | H34 | 180.0° | 180.0° |
| C35 | C36 | C41 | H41 | 179.9° | 180.0° |
| C36 | S37 | O38 | N39 | 113.7° | 114.1° |
| C36 | S37 | O38 | O40 | 122.1° | 122.9° |
| C36 | S37 | N39 | O40 | 113.6° | 113.5° |
| S37 | C36 | C41 | C42 | 178.1° | 179.7° |
| S37 | C36 | C35 | H35 | 1.8° | 0.0° |
| C36 | S37 | N39 | H39A | 180.0° | 150.0° |
| C36 | S37 | N39 | H39B | 60.0° | 30.0° |
| S37 | C36 | C41 | H41 | 1.9° | 0.0° |
| O38 | S37 | N39 | O40 | 130.6° | 133.0° |
| O38 | S37 | C36 | C41 | 15.9° | 156.4° |
| O38 | S37 | N39 | H39A | 64.2° | 96.5° |
| O38 | S37 | N39 | H39B | 55.8° | 83.5° |
| N39 | S37 | C36 | C41 | 99.0° | 90.0° |
| S37 | N39 | H39A | H39B | 120.0° | 180.0° |
| O40 | S37 | C36 | C41 | 145.8° | 23.6° |
| O40 | S37 | N39 | H39A | 66.4° | 36.5° |
| O40 | S37 | N39 | H39B | 173.6° | 143.5° |
| C36 | C41 | C42 | H41 | 180.0° | 179.7° |
| C36 | C41 | C42 | C33 | 0.2° | 0.5° |
| C41 | C36 | C35 | H35 | 179.9° | 180.0° |
| C36 | C41 | C42 | H42 | 179.8° | 179.9° |
| C41 | C42 | C33 | H42 | 180.0° | 179.6° |
| C31 | C8 | C7 | H7 | 1.1° | 155.2° |
| C31 | C8 | C9 | H9 | 179.7° | 179.8° |
| C8 | C31 | C30 | H30 | 179.5° | 179.8° |
| C29 | C20 | N19 | H19 | 85.4° | 176.8° |
| C29 | C20 | C21 | H21 | 179.1° | 179.8° |
| C20 | C29 | C28 | H28 | 179.7° | 179.8° |
| C42 | C33 | N32 | H32 | 46.4° | 177.4° |
| C42 | C33 | C34 | H34 | 179.9° | 179.8° |
| C33 | C42 | C41 | H41 | 179.8° | 179.8° |
| H4C | C4 | H4A | H4B | 120.0° | 120.0° |
| H6C | C6 | H6B | H6A | 120.0° | 120.0° |
| H7 | C7 | N32 | H32 | 111.5° | 163.9° |
| H9 | C9 | C10 | H10 | 0.5° | 0.0° |
| H12 | C12 | N19 | H19 | 115.9° | 163.4° |
| H15A | C15 | H15C | H15B | 120.0° | 120.0° |
| H17C | C17 | H17B | H17A | 120.0° | 120.0° |
| H21 | C21 | C22 | H22 | 0.3° | 0.0° |
| H28 | C28 | C29 | H29 | 0.3° | 0.2° |
| H30 | C30 | C31 | H31 | 0.5° | 0.1° |
| H34 | C34 | C35 | H35 | 0.0° | 0.1° |
| H41 | C41 | C42 | H42 | 0.2° | 0.2° |
