DN2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.46Å | 1.53Å | |
| N1 | C24 | sing | 1.40Å | 1.40Å | |
| N1 | H1 | sing | 0.97Å | 1.02Å | |
| C2 | C1 | sing | 1.51Å | 1.57Å | |
| C2 | C22 | sing | 1.53Å | 1.57Å | |
| C2 | C23 | sing | 1.54Å | 1.56Å | |
| C1 | O2 | doub | 1.21Å | 1.25Å | |
| C1 | N3 | sing | 1.35Å | 1.37Å | |
| N3 | C4 | sing | 1.46Å | 1.47Å | |
| N3 | H3 | sing | 0.97Å | 1.02Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | C9 | sing | 1.51Å | 1.55Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| C5 | C8 | sing | 1.53Å | 1.54Å | |
| C5 | H5C1 | sing | 1.09Å | 1.12Å | |
| C5 | H5C2 | sing | 1.09Å | 1.12Å | |
| C6 | C8 | sing | 1.53Å | 1.53Å | |
| C6 | H6C1 | sing | 1.09Å | 1.12Å | |
| C6 | H6C2 | sing | 1.09Å | 1.12Å | |
| C6 | H6C3 | sing | 1.09Å | 1.12Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | H7C1 | sing | 1.09Å | 1.12Å | |
| C7 | H7C2 | sing | 1.09Å | 1.12Å | |
| C7 | H7C3 | sing | 1.09Å | 1.11Å | |
| C8 | H8 | sing | 1.09Å | 1.12Å | |
| C9 | O10 | doub | 1.21Å | 1.24Å | |
| C9 | N11 | sing | 1.35Å | 1.40Å | |
| N11 | C12 | sing | 1.46Å | 1.46Å | |
| N11 | H11 | sing | 0.97Å | 1.02Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | C17 | sing | 1.53Å | 1.63Å | |
| C12 | H12 | sing | 1.09Å | 1.12Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C14 | F15 | sing | 1.40Å | 1.23Å | |
| C14 | F16 | sing | 1.40Å | 1.23Å | |
| C14 | H14 | sing | 1.09Å | 1.11Å | |
| C17 | C18 | sing | 1.51Å | 1.62Å | |
| C17 | O21 | sing | 1.43Å | 1.46Å | |
| C17 | H17 | sing | 1.09Å | 1.12Å | |
| C18 | O19 | sing | 1.34Å | 1.27Å | |
| C18 | O20 | doub | 1.21Å | 1.25Å | |
| O19 | H19 | sing | 0.97Å | 0.95Å | |
| O21 | H21 | sing | 0.97Å | 0.95Å | |
| C22 | C30 | sing | 1.51Å | 1.53Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C23 | C25 | sing | 1.51Å | 1.49Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C24 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C26 | sing | 1.40Å | 1.38Å | Aromatic |
| C25 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | sing | 1.38Å | 1.41Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| C30 | C31 | sing | 1.37Å | 1.44Å | Aromatic |
| C30 | C34 | doub | 1.39Å | 1.40Å | Aromatic |
| C31 | C32 | doub | 1.36Å | 1.38Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.10Å | |
| C32 | S33 | sing | 1.73Å | 1.71Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| S33 | C34 | sing | 1.78Å | 1.69Å | Aromatic |
| C34 | C35 | sing | 1.46Å | 1.48Å | |
| C35 | O36 | sing | 1.35Å | 1.28Å | |
| C35 | O37 | doub | 1.22Å | 1.26Å | |
| O36 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C24 | 105.4° | 110.1° |
| C2 | N1 | H1 | 127.3° | 124.9° |
| N1 | C2 | C1 | 109.1° | 110.3° |
| N1 | C2 | C22 | 101.6° | 110.4° |
| N1 | C2 | C23 | 106.9° | 105.2° |
| C24 | N1 | H1 | 127.3° | 125.0° |
| N1 | C24 | C25 | 114.4° | 111.6° |
| N1 | C24 | C26 | 124.5° | 129.4° |
| C1 | C2 | C22 | 109.9° | 110.3° |
| C1 | C2 | C23 | 118.5° | 110.3° |
| C2 | C1 | O2 | 116.1° | 120.0° |
| C2 | C1 | N3 | 122.0° | 120.0° |
| C22 | C2 | C23 | 109.4° | 110.2° |
| C2 | C22 | C30 | 117.9° | 109.4° |
| C2 | C22 | H221 | 109.1° | 109.5° |
| C2 | C22 | H222 | 109.2° | 109.5° |
| C2 | C23 | C25 | 103.2° | 104.5° |
| C2 | C23 | H231 | 114.6° | 110.5° |
| C2 | C23 | H232 | 114.6° | 110.4° |
| O2 | C1 | N3 | 121.9° | 120.0° |
| C1 | N3 | C4 | 120.6° | 120.0° |
| C1 | N3 | H3 | 119.7° | 120.0° |
| C4 | N3 | H3 | 119.7° | 120.0° |
| N3 | C4 | C5 | 111.7° | 109.5° |
| N3 | C4 | C9 | 108.7° | 109.5° |
| N3 | C4 | H4 | 109.0° | 109.5° |
| C5 | C4 | C9 | 109.5° | 109.4° |
| C5 | C4 | H4 | 109.0° | 109.4° |
| C4 | C5 | C8 | 113.5° | 109.5° |
| C4 | C5 | H5C1 | 110.7° | 109.5° |
| C4 | C5 | H5C2 | 110.7° | 109.5° |
| C9 | C4 | H4 | 109.0° | 109.5° |
| C4 | C9 | O10 | 120.6° | 120.0° |
| C4 | C9 | N11 | 111.7° | 120.1° |
| C8 | C5 | H5C1 | 110.7° | 109.5° |
| C8 | C5 | H5C2 | 110.7° | 109.5° |
| C5 | C8 | C6 | 114.4° | 109.5° |
| C5 | C8 | C7 | 109.1° | 109.5° |
| C5 | C8 | H8 | 106.3° | 109.5° |
| H5C1 | C5 | H5C2 | 99.5° | 109.4° |
| C8 | C6 | H6C1 | 114.4° | 109.5° |
| C8 | C6 | H6C2 | 110.4° | 109.5° |
| C8 | C6 | H6C3 | 110.4° | 109.5° |
| C6 | C8 | C7 | 113.7° | 109.5° |
| C6 | C8 | H8 | 106.3° | 109.5° |
| H6C1 | C6 | H6C2 | 110.4° | 109.5° |
| H6C1 | C6 | H6C3 | 110.4° | 109.5° |
| H6C2 | C6 | H6C3 | 99.9° | 109.4° |
| C8 | C7 | H7C1 | 109.1° | 109.5° |
| C8 | C7 | H7C2 | 112.3° | 109.4° |
| C8 | C7 | H7C3 | 112.4° | 109.4° |
| C7 | C8 | H8 | 106.3° | 109.5° |
| H7C1 | C7 | H7C2 | 112.3° | 109.5° |
| H7C1 | C7 | H7C3 | 112.4° | 109.5° |
| H7C2 | C7 | H7C3 | 98.1° | 109.5° |
| O10 | C9 | N11 | 124.3° | 120.0° |
| C9 | N11 | C12 | 122.2° | 120.0° |
| C9 | N11 | H11 | 118.9° | 120.0° |
| C12 | N11 | H11 | 118.9° | 119.9° |
| N11 | C12 | C13 | 119.0° | 109.5° |
| N11 | C12 | C17 | 113.8° | 109.5° |
| N11 | C12 | H12 | 102.9° | 109.5° |
| C13 | C12 | C17 | 112.7° | 109.5° |
| C13 | C12 | H12 | 102.9° | 109.5° |
| C12 | C13 | C14 | 115.4° | 109.5° |
| C12 | C13 | H131 | 110.0° | 109.5° |
| C12 | C13 | H132 | 110.0° | 109.5° |
| C17 | C12 | H12 | 102.9° | 109.4° |
| C12 | C17 | C18 | 99.2° | 109.5° |
| C12 | C17 | O21 | 106.5° | 109.5° |
| C12 | C17 | H17 | 115.6° | 109.4° |
| C14 | C13 | H131 | 110.1° | 109.5° |
| C14 | C13 | H132 | 110.1° | 109.5° |
| C13 | C14 | F15 | 107.9° | 109.5° |
| C13 | C14 | F16 | 108.4° | 109.5° |
| C13 | C14 | H14 | 112.0° | 109.4° |
| H131 | C13 | H132 | 100.2° | 109.5° |
| F15 | C14 | F16 | 104.1° | 109.5° |
| F15 | C14 | H14 | 112.0° | 109.5° |
| F16 | C14 | H14 | 112.0° | 109.4° |
| C18 | C17 | O21 | 102.2° | 109.5° |
| C18 | C17 | H17 | 115.6° | 109.5° |
| C17 | C18 | O19 | 115.0° | 120.0° |
| C17 | C18 | O20 | 114.1° | 120.0° |
| O21 | C17 | H17 | 115.6° | 109.4° |
| C17 | O21 | H21 | 106.5° | 106.8° |
| O19 | C18 | O20 | 130.9° | 119.9° |
| C18 | O19 | H19 | 115.0° | 120.0° |
| C30 | C22 | H221 | 109.2° | 109.5° |
| C30 | C22 | H222 | 109.2° | 109.5° |
| C22 | C30 | C31 | 122.7° | 121.5° |
| C22 | C30 | C34 | 119.1° | 121.5° |
| H221 | C22 | H222 | 101.0° | 109.5° |
| C25 | C23 | H231 | 114.6° | 110.4° |
| C25 | C23 | H232 | 114.6° | 110.4° |
| C23 | C25 | C24 | 110.1° | 108.5° |
| C23 | C25 | C27 | 128.3° | 131.0° |
| H231 | C23 | H232 | 95.9° | 110.5° |
| C25 | C24 | C26 | 121.1° | 119.0° |
| C24 | C25 | C27 | 121.6° | 120.5° |
| C24 | C26 | C29 | 118.0° | 120.3° |
| C24 | C26 | H26 | 121.0° | 119.8° |
| C25 | C27 | C28 | 118.2° | 120.2° |
| C25 | C27 | H27 | 120.9° | 119.9° |
| C29 | C26 | H26 | 121.0° | 119.9° |
| C26 | C29 | C28 | 121.1° | 120.2° |
| C26 | C29 | H29 | 119.4° | 119.8° |
| C28 | C27 | H27 | 120.9° | 119.9° |
| C27 | C28 | C29 | 120.0° | 119.8° |
| C27 | C28 | H28 | 120.0° | 120.1° |
| C29 | C28 | H28 | 120.0° | 120.1° |
| C28 | C29 | H29 | 119.5° | 119.9° |
| C31 | C30 | C34 | 108.6° | 117.1° |
| C30 | C31 | C32 | 113.9° | 119.3° |
| C30 | C31 | H31 | 123.1° | 120.4° |
| C30 | C34 | S33 | 114.0° | 101.9° |
| C30 | C34 | C35 | 119.3° | 129.1° |
| C32 | C31 | H31 | 123.0° | 120.4° |
| C31 | C32 | S33 | 111.3° | 103.2° |
| C31 | C32 | H32 | 124.3° | 128.4° |
| S33 | C32 | H32 | 124.4° | 128.4° |
| C32 | S33 | C34 | 92.2° | 98.6° |
| S33 | C34 | C35 | 125.3° | 129.1° |
| C34 | C35 | O36 | 113.3° | 120.0° |
| C34 | C35 | O37 | 119.1° | 120.0° |
| O36 | C35 | O37 | 127.6° | 120.1° |
| C35 | O36 | H36 | 113.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C24 | H1 | 180.0° | 180.0° |
| N1 | C2 | C1 | C22 | 110.6° | 122.2° |
| N1 | C2 | C1 | C23 | 122.6° | 115.8° |
| N1 | C2 | C22 | C23 | 112.8° | 115.8° |
| N1 | C2 | C1 | O2 | 88.2° | 140.3° |
| N1 | C2 | C1 | N3 | 90.3° | 39.7° |
| N1 | C2 | C22 | C30 | 157.4° | 56.1° |
| N1 | C2 | C22 | H221 | 77.3° | 176.1° |
| N1 | C2 | C22 | H222 | 32.2° | 63.9° |
| N1 | C2 | C23 | C25 | 1.6° | 0.0° |
| N1 | C2 | C23 | H231 | 123.6° | 118.7° |
| N1 | C2 | C23 | H232 | 126.9° | 118.8° |
| C2 | N1 | C24 | C25 | 0.0° | 0.0° |
| C2 | N1 | C24 | C26 | 178.9° | 180.0° |
| C24 | N1 | C2 | C1 | 130.4° | 118.9° |
| C24 | N1 | C2 | C22 | 113.6° | 118.9° |
| C24 | N1 | C2 | C23 | 1.1° | 0.0° |
| N1 | C24 | C25 | C23 | 1.1° | 0.1° |
| N1 | C24 | C25 | C26 | 178.9° | 179.9° |
| N1 | C24 | C25 | C27 | 179.2° | 180.0° |
| N1 | C24 | C26 | C29 | 179.6° | 180.0° |
| N1 | C24 | C26 | H26 | 0.4° | 0.0° |
| H1 | N1 | C2 | C1 | 49.6° | 61.1° |
| H1 | N1 | C2 | C22 | 66.4° | 61.1° |
| H1 | N1 | C2 | C23 | 178.9° | 180.0° |
| H1 | N1 | C24 | C25 | 180.0° | 180.0° |
| H1 | N1 | C24 | C26 | 1.2° | 0.1° |
| C1 | C2 | C22 | C23 | 131.7° | 122.0° |
| C2 | C1 | O2 | N3 | 178.5° | 180.0° |
| C2 | C1 | N3 | C4 | 161.4° | 174.2° |
| C2 | C1 | N3 | H3 | 18.6° | 5.9° |
| C1 | C2 | C22 | C30 | 87.1° | 66.1° |
| C1 | C2 | C22 | H221 | 38.1° | 53.9° |
| C1 | C2 | C22 | H222 | 147.6° | 173.9° |
| C1 | C2 | C23 | C25 | 125.3° | 118.9° |
| C1 | C2 | C23 | H231 | 0.0° | 122.3° |
| C1 | C2 | C23 | H232 | 109.4° | 0.2° |
| C22 | C2 | C1 | O2 | 22.4° | 97.4° |
| C22 | C2 | C1 | N3 | 159.0° | 82.5° |
| C2 | C22 | C30 | H221 | 125.3° | 120.0° |
| C2 | C22 | C30 | H222 | 125.2° | 120.0° |
| C2 | C22 | H221 | H222 | 114.9° | 120.0° |
| C22 | C2 | C23 | C25 | 107.7° | 119.1° |
| C22 | C2 | C23 | H231 | 127.1° | 0.3° |
| C22 | C2 | C23 | H232 | 17.6° | 122.2° |
| C2 | C22 | C30 | C31 | 42.0° | 92.7° |
| C2 | C22 | C30 | C34 | 100.3° | 87.6° |
| C23 | C2 | C1 | O2 | 149.2° | 24.6° |
| C23 | C2 | C1 | N3 | 32.2° | 155.5° |
| C23 | C2 | C22 | C30 | 44.6° | 171.9° |
| C23 | C2 | C22 | H221 | 169.9° | 68.2° |
| C23 | C2 | C22 | H222 | 80.6° | 51.8° |
| C2 | C23 | C25 | H231 | 125.3° | 118.8° |
| C2 | C23 | C25 | H232 | 125.3° | 118.7° |
| C2 | C23 | H231 | H232 | 120.5° | 122.4° |
| C2 | C23 | C25 | C24 | 1.7° | 0.1° |
| C2 | C23 | C25 | C27 | 178.6° | 180.0° |
| O2 | C1 | N3 | C4 | 20.2° | 5.8° |
| O2 | C1 | N3 | H3 | 159.8° | 174.1° |
| C1 | N3 | C4 | H3 | 180.0° | 179.9° |
| C1 | N3 | C4 | C5 | 172.7° | 93.2° |
| C1 | N3 | C4 | C9 | 51.8° | 146.8° |
| C1 | N3 | C4 | H4 | 66.9° | 26.7° |
| N3 | C4 | C5 | C9 | 120.5° | 120.0° |
| N3 | C4 | C5 | H4 | 120.4° | 120.0° |
| N3 | C4 | C9 | H4 | 118.6° | 120.1° |
| N3 | C4 | C5 | C8 | 47.6° | 65.9° |
| N3 | C4 | C5 | H5C1 | 172.9° | 174.1° |
| N3 | C4 | C5 | H5C2 | 77.7° | 54.2° |
| N3 | C4 | C9 | O10 | 37.7° | 0.1° |
| N3 | C4 | C9 | N11 | 122.3° | 180.0° |
| H3 | N3 | C4 | C5 | 7.3° | 86.7° |
| H3 | N3 | C4 | C9 | 128.2° | 33.3° |
| H3 | N3 | C4 | H4 | 113.1° | 153.3° |
| C5 | C4 | C9 | H4 | 119.1° | 119.9° |
| C4 | C5 | C8 | H5C1 | 125.3° | 120.0° |
| C4 | C5 | C8 | H5C2 | 125.3° | 120.0° |
| C4 | C5 | H5C1 | H5C2 | 116.6° | 119.9° |
| C4 | C5 | C8 | C6 | 168.5° | 171.9° |
| C4 | C5 | C8 | C7 | 62.8° | 68.2° |
| C4 | C5 | C8 | H8 | 51.5° | 51.9° |
| C5 | C4 | C9 | O10 | 84.5° | 120.1° |
| C5 | C4 | C9 | N11 | 115.4° | 60.0° |
| C9 | C4 | C5 | C8 | 168.1° | 174.1° |
| C9 | C4 | C5 | H5C1 | 66.6° | 54.1° |
| C9 | C4 | C5 | H5C2 | 42.8° | 65.8° |
| C4 | C9 | O10 | N11 | 157.5° | 179.9° |
| C4 | C9 | N11 | C12 | 166.3° | 179.9° |
| C4 | C9 | N11 | H11 | 13.7° | 0.1° |
| H4 | C4 | C5 | C8 | 72.8° | 54.2° |
| H4 | C4 | C5 | H5C1 | 52.4° | 65.9° |
| H4 | C4 | C5 | H5C2 | 161.9° | 174.2° |
| H4 | C4 | C9 | O10 | 156.4° | 120.0° |
| H4 | C4 | C9 | N11 | 3.7° | 59.9° |
| C8 | C5 | H5C1 | H5C2 | 116.6° | 120.0° |
| C5 | C8 | C6 | C7 | 126.3° | 120.0° |
| C5 | C8 | C6 | H8 | 117.0° | 120.0° |
| C5 | C8 | C6 | H6C1 | 180.0° | 180.0° |
| C5 | C8 | C6 | H6C2 | 54.7° | 60.0° |
| C5 | C8 | C6 | H6C3 | 54.7° | 59.9° |
| C5 | C8 | C7 | H8 | 114.3° | 120.0° |
| C5 | C8 | C7 | H7C1 | 180.0° | 61.8° |
| C5 | C8 | C7 | H7C2 | 54.7° | 58.2° |
| C5 | C8 | C7 | H7C3 | 54.7° | 178.2° |
| H5C1 | C5 | C8 | C6 | 66.2° | 68.1° |
| H5C1 | C5 | C8 | C7 | 62.5° | 51.9° |
| H5C1 | C5 | C8 | H8 | 176.8° | 172.0° |
| H5C2 | C5 | C8 | C6 | 43.3° | 51.9° |
| H5C2 | C5 | C8 | C7 | 172.0° | 171.8° |
| H5C2 | C5 | C8 | H8 | 73.8° | 68.1° |
| C8 | C6 | H6C1 | H6C2 | 125.2° | 120.0° |
| C8 | C6 | H6C1 | H6C3 | 125.2° | 120.1° |
| C8 | C6 | H6C2 | H6C3 | 116.2° | 120.0° |
| C6 | C8 | C7 | H8 | 116.6° | 120.0° |
| C6 | C8 | C7 | H7C1 | 50.9° | 58.2° |
| C6 | C8 | C7 | H7C2 | 176.2° | 178.2° |
| C6 | C8 | C7 | H7C3 | 74.4° | 61.8° |
| H6C1 | C6 | H6C2 | H6C3 | 116.3° | 120.0° |
| H6C1 | C6 | C8 | C7 | 53.7° | 60.0° |
| H6C1 | C6 | C8 | H8 | 63.0° | 60.0° |
| H6C2 | C6 | C8 | C7 | 71.6° | 180.0° |
| H6C2 | C6 | C8 | H8 | 171.8° | 60.0° |
| H6C3 | C6 | C8 | C7 | 178.9° | 60.0° |
| H6C3 | C6 | C8 | H8 | 62.3° | 179.9° |
| C8 | C7 | H7C1 | H7C2 | 125.2° | 119.9° |
| C8 | C7 | H7C1 | H7C3 | 125.3° | 120.0° |
| C8 | C7 | H7C2 | H7C3 | 118.3° | 120.0° |
| H7C1 | C7 | H7C2 | H7C3 | 118.3° | 120.1° |
| H7C1 | C7 | C8 | H8 | 65.7° | 178.2° |
| H7C2 | C7 | C8 | H8 | 59.6° | 61.8° |
| H7C3 | C7 | C8 | H8 | 169.0° | 58.2° |
| O10 | C9 | N11 | C12 | 34.5° | 0.1° |
| O10 | C9 | N11 | H11 | 145.5° | 180.0° |
| C9 | N11 | C12 | H11 | 180.0° | 180.0° |
| C9 | N11 | C12 | C13 | 125.4° | 90.0° |
| C9 | N11 | C12 | C17 | 97.9° | 149.9° |
| C9 | N11 | C12 | H12 | 12.6° | 30.0° |
| N11 | C12 | C13 | C17 | 137.1° | 120.0° |
| N11 | C12 | C13 | H12 | 112.8° | 120.0° |
| N11 | C12 | C17 | H12 | 110.5° | 120.0° |
| N11 | C12 | C13 | C14 | 44.2° | 60.0° |
| N11 | C12 | C13 | H131 | 169.5° | 60.0° |
| N11 | C12 | C13 | H132 | 81.1° | 180.0° |
| N11 | C12 | C17 | C18 | 161.1° | 60.0° |
| N11 | C12 | C17 | O21 | 55.3° | 60.1° |
| N11 | C12 | C17 | H17 | 74.6° | 180.0° |
| H11 | N11 | C12 | C13 | 54.6° | 90.0° |
| H11 | N11 | C12 | C17 | 82.1° | 30.0° |
| H11 | N11 | C12 | H12 | 167.4° | 150.0° |
| C13 | C12 | C17 | H12 | 110.1° | 120.0° |
| C12 | C13 | C14 | H131 | 125.2° | 120.0° |
| C12 | C13 | C14 | H132 | 125.3° | 120.0° |
| C12 | C13 | H131 | H132 | 115.8° | 120.0° |
| C12 | C13 | C14 | F15 | 67.6° | 180.0° |
| C12 | C13 | C14 | F16 | 44.5° | 60.0° |
| C12 | C13 | C14 | H14 | 168.6° | 59.9° |
| C13 | C12 | C17 | C18 | 59.5° | 180.0° |
| C13 | C12 | C17 | O21 | 165.3° | 59.9° |
| C13 | C12 | C17 | H17 | 64.8° | 60.0° |
| C17 | C12 | C13 | C14 | 178.7° | 180.0° |
| C17 | C12 | C13 | H131 | 53.4° | 60.0° |
| C17 | C12 | C13 | H132 | 56.0° | 60.0° |
| C12 | C17 | C18 | O21 | 109.3° | 120.1° |
| C12 | C17 | C18 | H17 | 124.3° | 120.0° |
| C12 | C17 | O21 | H17 | 130.0° | 119.9° |
| C12 | C17 | C18 | O19 | 66.7° | 60.0° |
| C12 | C17 | C18 | O20 | 111.7° | 120.0° |
| C12 | C17 | O21 | H21 | 180.0° | 60.1° |
| H12 | C12 | C13 | C14 | 68.6° | 60.0° |
| H12 | C12 | C13 | H131 | 56.7° | 180.0° |
| H12 | C12 | C13 | H132 | 166.1° | 60.0° |
| H12 | C12 | C17 | C18 | 50.6° | 60.0° |
| H12 | C12 | C17 | O21 | 55.2° | 180.0° |
| H12 | C12 | C17 | H17 | 174.8° | 60.1° |
| C14 | C13 | H131 | H132 | 115.9° | 120.0° |
| C13 | C14 | F15 | F16 | 115.0° | 120.0° |
| C13 | C14 | F15 | H14 | 123.7° | 120.0° |
| C13 | C14 | F16 | H14 | 124.1° | 119.9° |
| H131 | C13 | C14 | F15 | 57.6° | 60.0° |
| H131 | C13 | C14 | F16 | 169.8° | 180.0° |
| H131 | C13 | C14 | H14 | 66.1° | 60.1° |
| H132 | C13 | C14 | F15 | 167.1° | 60.0° |
| H132 | C13 | C14 | F16 | 80.7° | 60.0° |
| H132 | C13 | C14 | H14 | 43.4° | 179.9° |
| F15 | C14 | F16 | H14 | 121.2° | 120.1° |
| C18 | C17 | O21 | H17 | 126.4° | 120.0° |
| C17 | C18 | O19 | O20 | 178.0° | 180.0° |
| C17 | C18 | O19 | H19 | 180.0° | 180.0° |
| C18 | C17 | O21 | H21 | 76.4° | 60.0° |
| O21 | C17 | C18 | O19 | 42.6° | 180.0° |
| O21 | C17 | C18 | O20 | 139.0° | 0.0° |
| H17 | C17 | C18 | O19 | 169.0° | 60.0° |
| H17 | C17 | C18 | O20 | 12.6° | 120.0° |
| H17 | C17 | O21 | H21 | 50.0° | 180.0° |
| O20 | C18 | O19 | H19 | 2.0° | 0.0° |
| C30 | C22 | H221 | H222 | 114.9° | 120.0° |
| C22 | C30 | C31 | C34 | 145.7° | 179.7° |
| C22 | C30 | C31 | C32 | 146.5° | 180.0° |
| C22 | C30 | C31 | H31 | 33.5° | 0.1° |
| C22 | C30 | C34 | S33 | 147.8° | 179.9° |
| C22 | C30 | C34 | C35 | 19.0° | 0.3° |
| H221 | C22 | C30 | C31 | 83.2° | 27.3° |
| H221 | C22 | C30 | C34 | 134.4° | 152.4° |
| H222 | C22 | C30 | C31 | 167.3° | 147.3° |
| H222 | C22 | C30 | C34 | 24.9° | 32.4° |
| C25 | C23 | H231 | H232 | 120.5° | 122.5° |
| C23 | C25 | C24 | C27 | 179.7° | 179.9° |
| C23 | C25 | C24 | C26 | 180.0° | 180.0° |
| C23 | C25 | C27 | C28 | 179.1° | 179.9° |
| C23 | C25 | C27 | H27 | 0.9° | 0.1° |
| H231 | C23 | C25 | C24 | 123.6° | 118.8° |
| H231 | C23 | C25 | C27 | 56.1° | 61.1° |
| H232 | C23 | C25 | C24 | 127.0° | 118.7° |
| H232 | C23 | C25 | C27 | 53.3° | 61.4° |
| C25 | C24 | C26 | C29 | 0.8° | 0.1° |
| C25 | C24 | C26 | H26 | 179.2° | 179.9° |
| C24 | C25 | C27 | C28 | 0.6° | 0.0° |
| C24 | C25 | C27 | H27 | 179.4° | 180.0° |
| C26 | C24 | C25 | C27 | 0.3° | 0.1° |
| C24 | C26 | C29 | H26 | 180.0° | 180.0° |
| C24 | C26 | C29 | C28 | 0.5° | 0.0° |
| C24 | C26 | C29 | H29 | 179.5° | 180.0° |
| C25 | C27 | C28 | H27 | 180.0° | 180.0° |
| C25 | C27 | C28 | C29 | 0.9° | 0.0° |
| C25 | C27 | C28 | H28 | 179.2° | 180.0° |
| C26 | C29 | C28 | C27 | 0.3° | 0.0° |
| C26 | C29 | C28 | H29 | 180.0° | 180.0° |
| C26 | C29 | C28 | H28 | 179.7° | 180.0° |
| H26 | C26 | C29 | C28 | 179.5° | 180.0° |
| H26 | C26 | C29 | H29 | 0.5° | 0.0° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C27 | C28 | C29 | H29 | 179.7° | 180.0° |
| H27 | C27 | C28 | C29 | 179.2° | 180.0° |
| H27 | C27 | C28 | H28 | 0.8° | 0.1° |
| H28 | C28 | C29 | H29 | 0.3° | 0.0° |
| C30 | C31 | C32 | H31 | 180.0° | 179.9° |
| C30 | C31 | C32 | S33 | 0.6° | 0.1° |
| C30 | C31 | C32 | H32 | 179.4° | 180.0° |
| C31 | C30 | C34 | S33 | 0.6° | 0.4° |
| C31 | C30 | C34 | C35 | 166.2° | 179.9° |
| C34 | C30 | C31 | C32 | 0.8° | 0.3° |
| C34 | C30 | C31 | H31 | 179.2° | 179.8° |
| C30 | C34 | S33 | C32 | 0.3° | 0.3° |
| C30 | C34 | S33 | C35 | 165.9° | 179.7° |
| C30 | C34 | C35 | O36 | 11.4° | 179.6° |
| C30 | C34 | C35 | O37 | 168.4° | 0.5° |
| C31 | C32 | S33 | H32 | 180.0° | 179.9° |
| C31 | C32 | S33 | C34 | 0.2° | 0.2° |
| H31 | C31 | C32 | S33 | 179.4° | 180.0° |
| H31 | C31 | C32 | H32 | 0.6° | 0.1° |
| C32 | S33 | C34 | C35 | 165.6° | 180.0° |
| H32 | C32 | S33 | C34 | 179.8° | 179.8° |
| S33 | C34 | C35 | O36 | 176.6° | 0.0° |
| S33 | C34 | C35 | O37 | 3.3° | 180.0° |
| C34 | C35 | O36 | O37 | 179.8° | 180.0° |
| C34 | C35 | O36 | H36 | 180.0° | 180.0° |
| O37 | C35 | O36 | H36 | 0.2° | 0.1° |
