DN1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.46Å | 1.52Å | |
| N1 | C24 | sing | 1.40Å | 1.41Å | |
| 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 | 1.57Å | |
| C1 | O2 | doub | 1.21Å | 1.25Å | |
| C1 | N3 | sing | 1.35Å | 1.36Å | |
| N3 | C4 | sing | 1.46Å | 1.44Å | |
| N3 | H3 | sing | 0.97Å | 1.02Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | C9 | sing | 1.51Å | 1.49Å | |
| C4 | H4 | sing | 1.09Å | 1.11Å | |
| C5 | C8 | sing | 1.53Å | 1.55Å | |
| C5 | H5C1 | sing | 1.09Å | 1.11Å | |
| C5 | H5C2 | sing | 1.09Å | 1.11Å | |
| C6 | C8 | sing | 1.53Å | 1.53Å | |
| C6 | H6C1 | sing | 1.09Å | 1.11Å | |
| C6 | H6C2 | sing | 1.09Å | 1.11Å | |
| C6 | H6C3 | sing | 1.09Å | 1.12Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | H7C1 | sing | 1.09Å | 1.11Å | |
| C7 | H7C2 | sing | 1.09Å | 1.12Å | |
| C7 | H7C3 | sing | 1.09Å | 1.11Å | |
| C8 | H8 | sing | 1.09Å | 1.11Å | |
| C9 | O10 | doub | 1.21Å | 1.25Å | |
| C9 | N11 | sing | 1.35Å | 1.41Å | |
| N11 | C12 | sing | 1.47Å | 1.50Å | |
| N11 | H11 | sing | 0.97Å | 1.02Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | C17 | sing | 1.53Å | 1.62Å | |
| C12 | H12 | sing | 1.09Å | 1.12Å | |
| C13 | C14 | sing | 1.53Å | 1.49Å | |
| C13 | H13 | sing | 1.09Å | 1.11Å | |
| C13 | H13D | sing | 1.09Å | 1.12Å | |
| C14 | F15 | sing | 1.40Å | 1.22Å | |
| C14 | F16 | sing | 1.40Å | 1.24Å | |
| C14 | H14 | sing | 1.09Å | 1.12Å | |
| C17 | C18 | sing | 1.51Å | 1.59Å | |
| C17 | O21 | sing | 1.43Å | 1.44Å | |
| C17 | H17 | sing | 1.09Å | 1.11Å | |
| C18 | O19 | sing | 1.34Å | 1.27Å | |
| C18 | O20 | doub | 1.21Å | 1.26Å | |
| 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 | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C24 | C25 | doub | 1.39Å | 1.38Å | 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 | 1.40Å | 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 | 1.39Å | 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 | doub | 1.22Å | 1.26Å | |
| C35 | O37 | sing | 1.35Å | 1.27Å | |
| O37 | H37 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C24 | 105.3° | 110.1° |
| C2 | N1 | H1 | 127.3° | 124.9° |
| N1 | C2 | C1 | 109.3° | 110.3° |
| N1 | C2 | C22 | 105.3° | 110.4° |
| N1 | C2 | C23 | 106.9° | 105.2° |
| C24 | N1 | H1 | 127.3° | 124.9° |
| N1 | C24 | C25 | 114.9° | 111.6° |
| N1 | C24 | C26 | 123.7° | 129.3° |
| C1 | C2 | C22 | 110.4° | 110.2° |
| C1 | C2 | C23 | 115.5° | 110.3° |
| C2 | C1 | O2 | 122.4° | 120.0° |
| C2 | C1 | N3 | 118.4° | 120.0° |
| C22 | C2 | C23 | 108.9° | 110.3° |
| C2 | C22 | C30 | 109.9° | 109.4° |
| C2 | C22 | H221 | 112.0° | 109.5° |
| C2 | C22 | H222 | 112.0° | 109.4° |
| C2 | C23 | C25 | 103.4° | 104.5° |
| C2 | C23 | H231 | 114.5° | 110.4° |
| C2 | C23 | H232 | 114.5° | 110.5° |
| O2 | C1 | N3 | 119.2° | 120.0° |
| C1 | N3 | C4 | 121.1° | 120.0° |
| C1 | N3 | H3 | 119.5° | 120.0° |
| C4 | N3 | H3 | 119.4° | 120.0° |
| N3 | C4 | C5 | 113.8° | 109.6° |
| N3 | C4 | C9 | 124.2° | 109.4° |
| N3 | C4 | H4 | 94.4° | 109.5° |
| C5 | C4 | C9 | 120.2° | 109.5° |
| C5 | C4 | H4 | 94.4° | 109.5° |
| C4 | C5 | C8 | 109.7° | 109.5° |
| C4 | C5 | H5C1 | 112.1° | 109.5° |
| C4 | C5 | H5C2 | 112.1° | 109.4° |
| C9 | C4 | H4 | 94.4° | 109.4° |
| C4 | C9 | O10 | 126.8° | 120.0° |
| C4 | C9 | N11 | 119.4° | 120.0° |
| C8 | C5 | H5C1 | 112.1° | 109.5° |
| C8 | C5 | H5C2 | 112.1° | 109.4° |
| C5 | C8 | C6 | 110.0° | 109.5° |
| C5 | C8 | C7 | 112.0° | 109.4° |
| C5 | C8 | H8 | 108.4° | 109.5° |
| H5C1 | C5 | H5C2 | 98.3° | 109.4° |
| C8 | C6 | H6C1 | 110.0° | 109.4° |
| C8 | C6 | H6C2 | 112.0° | 109.4° |
| C8 | C6 | H6C3 | 112.0° | 109.5° |
| C6 | C8 | C7 | 109.6° | 109.4° |
| C6 | C8 | H8 | 108.4° | 109.5° |
| H6C1 | C6 | H6C2 | 112.0° | 109.5° |
| H6C1 | C6 | H6C3 | 112.0° | 109.5° |
| H6C2 | C6 | H6C3 | 98.4° | 109.5° |
| C8 | C7 | H7C1 | 112.0° | 109.5° |
| C8 | C7 | H7C2 | 111.3° | 109.4° |
| C8 | C7 | H7C3 | 111.3° | 109.5° |
| C7 | C8 | H8 | 108.4° | 109.4° |
| H7C1 | C7 | H7C2 | 111.3° | 109.5° |
| H7C1 | C7 | H7C3 | 111.3° | 109.5° |
| H7C2 | C7 | H7C3 | 99.1° | 109.5° |
| O10 | C9 | N11 | 113.7° | 120.1° |
| C9 | N11 | C12 | 113.9° | 120.0° |
| C9 | N11 | H11 | 123.1° | 120.0° |
| C12 | N11 | H11 | 123.1° | 120.0° |
| N11 | C12 | C13 | 110.6° | 109.5° |
| N11 | C12 | C17 | 109.3° | 109.5° |
| N11 | C12 | H12 | 107.6° | 109.4° |
| C13 | C12 | C17 | 113.9° | 109.5° |
| C13 | C12 | H12 | 107.6° | 109.5° |
| C12 | C13 | C14 | 121.8° | 109.5° |
| C12 | C13 | H13 | 107.8° | 109.5° |
| C12 | C13 | H13D | 107.8° | 109.5° |
| C17 | C12 | H12 | 107.6° | 109.5° |
| C12 | C17 | C18 | 108.4° | 109.5° |
| C12 | C17 | O21 | 109.5° | 109.5° |
| C12 | C17 | H17 | 110.8° | 109.5° |
| C14 | C13 | H13 | 107.8° | 109.5° |
| C14 | C13 | H13D | 107.8° | 109.5° |
| C13 | C14 | F15 | 120.4° | 109.5° |
| C13 | C14 | F16 | 111.2° | 109.5° |
| C13 | C14 | H14 | 107.0° | 109.5° |
| H13 | C13 | H13D | 102.0° | 109.4° |
| F15 | C14 | F16 | 103.6° | 109.5° |
| F15 | C14 | H14 | 107.0° | 109.4° |
| F16 | C14 | H14 | 106.9° | 109.5° |
| C18 | C17 | O21 | 106.5° | 109.5° |
| C18 | C17 | H17 | 110.8° | 109.4° |
| C17 | C18 | O19 | 121.6° | 120.0° |
| C17 | C18 | O20 | 117.1° | 120.0° |
| O21 | C17 | H17 | 110.8° | 109.5° |
| C17 | O21 | H21 | 109.5° | 106.8° |
| O19 | C18 | O20 | 121.2° | 120.0° |
| C18 | O19 | H19 | 121.6° | 120.0° |
| C30 | C22 | H221 | 112.1° | 109.5° |
| C30 | C22 | H222 | 112.1° | 109.5° |
| C22 | C30 | C31 | 124.7° | 121.5° |
| C22 | C30 | C34 | 122.4° | 121.5° |
| H221 | C22 | H222 | 98.4° | 109.5° |
| C25 | C23 | H231 | 114.5° | 110.4° |
| C25 | C23 | H232 | 114.5° | 110.4° |
| C23 | C25 | C24 | 109.5° | 108.5° |
| C23 | C25 | C27 | 129.3° | 131.0° |
| H231 | C23 | H232 | 95.9° | 110.5° |
| C25 | C24 | C26 | 121.3° | 119.0° |
| C24 | C25 | C27 | 121.2° | 120.5° |
| C24 | C26 | C29 | 118.8° | 120.3° |
| C24 | C26 | H26 | 120.6° | 119.9° |
| C25 | C27 | C28 | 118.2° | 120.2° |
| C25 | C27 | H27 | 120.9° | 119.9° |
| C29 | C26 | H26 | 120.6° | 119.8° |
| C26 | C29 | C28 | 119.8° | 120.2° |
| C26 | C29 | H29 | 120.1° | 119.8° |
| C28 | C27 | H27 | 120.9° | 119.9° |
| C27 | C28 | C29 | 120.7° | 119.8° |
| C27 | C28 | H28 | 119.7° | 120.1° |
| C29 | C28 | H28 | 119.7° | 120.1° |
| C28 | C29 | H29 | 120.1° | 119.9° |
| C31 | C30 | C34 | 109.4° | 117.1° |
| C30 | C31 | C32 | 113.3° | 119.2° |
| C30 | C31 | H31 | 123.3° | 120.4° |
| C30 | C34 | S33 | 113.9° | 101.9° |
| C30 | C34 | C35 | 119.7° | 129.1° |
| C32 | C31 | H31 | 123.3° | 120.4° |
| C31 | C32 | S33 | 111.3° | 103.2° |
| C31 | C32 | H32 | 124.3° | 128.4° |
| S33 | C32 | H32 | 124.3° | 128.4° |
| C32 | S33 | C34 | 92.0° | 98.6° |
| S33 | C34 | C35 | 126.2° | 129.1° |
| C34 | C35 | O36 | 112.9° | 120.0° |
| C34 | C35 | O37 | 115.5° | 120.0° |
| O36 | C35 | O37 | 131.6° | 120.0° |
| C35 | O37 | H37 | 115.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C24 | H1 | 180.0° | 179.9° |
| N1 | C2 | C1 | C22 | 115.4° | 122.2° |
| N1 | C2 | C1 | C23 | 120.4° | 115.8° |
| N1 | C2 | C22 | C23 | 114.3° | 115.9° |
| N1 | C2 | C1 | O2 | 90.2° | 145.7° |
| N1 | C2 | C1 | N3 | 92.1° | 34.2° |
| N1 | C2 | C22 | C30 | 151.7° | 62.8° |
| N1 | C2 | C22 | H221 | 83.0° | 177.1° |
| N1 | C2 | C22 | H222 | 26.5° | 57.1° |
| N1 | C2 | C23 | C25 | 0.4° | 0.0° |
| N1 | C2 | C23 | H231 | 124.8° | 118.7° |
| N1 | C2 | C23 | H232 | 125.7° | 118.7° |
| C2 | N1 | C24 | C25 | 0.6° | 0.0° |
| C2 | N1 | C24 | C26 | 179.3° | 180.0° |
| C24 | N1 | C2 | C1 | 125.5° | 118.9° |
| C24 | N1 | C2 | C22 | 115.8° | 119.0° |
| C24 | N1 | C2 | C23 | 0.0° | 0.0° |
| N1 | C24 | C25 | C23 | 0.9° | 0.0° |
| N1 | C24 | C25 | C26 | 178.8° | 180.0° |
| N1 | C24 | C25 | C27 | 179.8° | 180.0° |
| N1 | C24 | C26 | C29 | 179.6° | 180.0° |
| N1 | C24 | C26 | H26 | 0.4° | 0.0° |
| H1 | N1 | C2 | C1 | 54.5° | 61.0° |
| H1 | N1 | C2 | C22 | 64.2° | 61.1° |
| H1 | N1 | C2 | C23 | 180.0° | 179.9° |
| H1 | N1 | C24 | C25 | 179.4° | 179.9° |
| H1 | N1 | C24 | C26 | 0.7° | 0.1° |
| C1 | C2 | C22 | C23 | 127.8° | 122.0° |
| C2 | C1 | O2 | N3 | 177.7° | 180.0° |
| C2 | C1 | N3 | C4 | 140.7° | 173.4° |
| C2 | C1 | N3 | H3 | 39.3° | 6.6° |
| C1 | C2 | C22 | C30 | 90.4° | 59.3° |
| C1 | C2 | C22 | H221 | 34.9° | 60.7° |
| C1 | C2 | C22 | H222 | 144.3° | 179.3° |
| C1 | C2 | C23 | C25 | 122.2° | 119.0° |
| C1 | C2 | C23 | H231 | 3.1° | 122.3° |
| C1 | C2 | C23 | H232 | 112.6° | 0.2° |
| C22 | C2 | C1 | O2 | 25.2° | 92.0° |
| C22 | C2 | C1 | N3 | 152.5° | 88.0° |
| C2 | C22 | C30 | H221 | 125.3° | 120.0° |
| C2 | C22 | C30 | H222 | 125.2° | 119.9° |
| C2 | C22 | H221 | H222 | 117.9° | 120.0° |
| C22 | C2 | C23 | C25 | 112.9° | 119.1° |
| C22 | C2 | C23 | H231 | 121.8° | 0.4° |
| C22 | C2 | C23 | H232 | 12.4° | 122.2° |
| C2 | C22 | C30 | C31 | 57.5° | 90.1° |
| C2 | C22 | C30 | C34 | 99.1° | 90.3° |
| C23 | C2 | C1 | O2 | 149.4° | 29.9° |
| C23 | C2 | C1 | N3 | 28.3° | 150.0° |
| C23 | C2 | C22 | C30 | 37.4° | 178.7° |
| C23 | C2 | C22 | H221 | 162.7° | 61.3° |
| C23 | C2 | C22 | H222 | 87.9° | 58.7° |
| C2 | C23 | C25 | H231 | 125.3° | 118.7° |
| C2 | C23 | C25 | H232 | 125.3° | 118.8° |
| C2 | C23 | H231 | H232 | 120.4° | 122.5° |
| C2 | C23 | C25 | C24 | 0.8° | 0.0° |
| C2 | C23 | C25 | C27 | 180.0° | 179.9° |
| O2 | C1 | N3 | C4 | 37.1° | 6.6° |
| O2 | C1 | N3 | H3 | 142.9° | 173.4° |
| C1 | N3 | C4 | H3 | 180.0° | 180.0° |
| C1 | N3 | C4 | C5 | 164.1° | 81.0° |
| C1 | N3 | C4 | C9 | 0.6° | 158.9° |
| C1 | N3 | C4 | H4 | 99.0° | 39.1° |
| N3 | C4 | C5 | C9 | 165.4° | 120.0° |
| N3 | C4 | C5 | H4 | 96.8° | 120.0° |
| N3 | C4 | C9 | H4 | 98.4° | 119.9° |
| N3 | C4 | C5 | C8 | 8.0° | 175.5° |
| N3 | C4 | C5 | H5C1 | 133.2° | 55.5° |
| N3 | C4 | C5 | H5C2 | 117.3° | 64.5° |
| N3 | C4 | C9 | O10 | 80.6° | 11.3° |
| N3 | C4 | C9 | N11 | 95.7° | 168.7° |
| H3 | N3 | C4 | C5 | 15.9° | 99.0° |
| H3 | N3 | C4 | C9 | 179.4° | 21.1° |
| H3 | N3 | C4 | H4 | 80.9° | 141.0° |
| C5 | C4 | C9 | H4 | 97.8° | 120.0° |
| C4 | C5 | C8 | H5C1 | 125.3° | 120.1° |
| C4 | C5 | C8 | H5C2 | 125.3° | 120.0° |
| C4 | C5 | H5C1 | H5C2 | 118.0° | 120.0° |
| C4 | C5 | C8 | C6 | 68.9° | 175.6° |
| C4 | C5 | C8 | C7 | 169.0° | 64.4° |
| C4 | C5 | C8 | H8 | 49.5° | 55.5° |
| C5 | C4 | C9 | O10 | 115.6° | 108.8° |
| C5 | C4 | C9 | N11 | 68.1° | 71.1° |
| C9 | C4 | C5 | C8 | 157.4° | 64.4° |
| C9 | C4 | C5 | H5C1 | 32.1° | 175.5° |
| C9 | C4 | C5 | H5C2 | 77.3° | 55.5° |
| C4 | C9 | O10 | N11 | 176.4° | 179.9° |
| C4 | C9 | N11 | C12 | 175.3° | 174.1° |
| C4 | C9 | N11 | H11 | 4.7° | 6.0° |
| H4 | C4 | C5 | C8 | 104.8° | 55.5° |
| H4 | C4 | C5 | H5C1 | 129.9° | 64.6° |
| H4 | C4 | C5 | H5C2 | 20.5° | 175.5° |
| H4 | C4 | C9 | O10 | 17.9° | 131.3° |
| H4 | C4 | C9 | N11 | 165.9° | 48.8° |
| C8 | C5 | H5C1 | H5C2 | 118.0° | 119.9° |
| C5 | C8 | C6 | C7 | 123.5° | 119.9° |
| C5 | C8 | C6 | H8 | 118.4° | 120.1° |
| C5 | C8 | C6 | H6C1 | 180.0° | 180.0° |
| C5 | C8 | C6 | H6C2 | 54.7° | 60.1° |
| C5 | C8 | C6 | H6C3 | 54.7° | 60.0° |
| C5 | C8 | C7 | H8 | 119.5° | 120.0° |
| C5 | C8 | C7 | H7C1 | 180.0° | 62.8° |
| C5 | C8 | C7 | H7C2 | 54.7° | 57.2° |
| C5 | C8 | C7 | H7C3 | 54.7° | 177.2° |
| H5C1 | C5 | C8 | C6 | 56.4° | 64.3° |
| H5C1 | C5 | C8 | C7 | 65.8° | 55.6° |
| H5C1 | C5 | C8 | H8 | 174.7° | 175.6° |
| H5C2 | C5 | C8 | C6 | 165.8° | 55.7° |
| H5C2 | C5 | C8 | C7 | 43.7° | 175.6° |
| H5C2 | C5 | C8 | H8 | 75.8° | 64.4° |
| C8 | C6 | H6C1 | H6C2 | 125.3° | 119.9° |
| C8 | C6 | H6C1 | H6C3 | 125.2° | 120.0° |
| C8 | C6 | H6C2 | H6C3 | 117.9° | 120.1° |
| C6 | C8 | C7 | H8 | 118.1° | 120.0° |
| C6 | C8 | C7 | H7C1 | 57.7° | 57.2° |
| C6 | C8 | C7 | H7C2 | 67.6° | 177.1° |
| C6 | C8 | C7 | H7C3 | 177.1° | 62.8° |
| H6C1 | C6 | H6C2 | H6C3 | 118.0° | 120.0° |
| H6C1 | C6 | C8 | C7 | 56.5° | 60.0° |
| H6C1 | C6 | C8 | H8 | 61.6° | 59.9° |
| H6C2 | C6 | C8 | C7 | 178.3° | 180.0° |
| H6C2 | C6 | C8 | H8 | 63.6° | 60.0° |
| H6C3 | C6 | C8 | C7 | 68.8° | 60.0° |
| H6C3 | C6 | C8 | H8 | 173.1° | 179.9° |
| C8 | C7 | H7C1 | H7C2 | 125.3° | 120.0° |
| C8 | C7 | H7C1 | H7C3 | 125.2° | 120.0° |
| C8 | C7 | H7C2 | H7C3 | 117.2° | 120.0° |
| H7C1 | C7 | H7C2 | H7C3 | 117.2° | 120.0° |
| H7C1 | C7 | C8 | H8 | 60.5° | 177.2° |
| H7C2 | C7 | C8 | H8 | 174.3° | 62.9° |
| H7C3 | C7 | C8 | H8 | 64.8° | 57.2° |
| O10 | C9 | N11 | C12 | 1.5° | 6.0° |
| O10 | C9 | N11 | H11 | 178.6° | 173.9° |
| C9 | N11 | C12 | H11 | 180.0° | 179.9° |
| C9 | N11 | C12 | C13 | 18.9° | 90.0° |
| C9 | N11 | C12 | C17 | 107.2° | 150.0° |
| C9 | N11 | C12 | H12 | 136.2° | 30.0° |
| N11 | C12 | C13 | C17 | 123.5° | 120.0° |
| N11 | C12 | C13 | H12 | 117.3° | 120.0° |
| N11 | C12 | C17 | H12 | 116.6° | 120.0° |
| N11 | C12 | C13 | C14 | 102.2° | 60.0° |
| N11 | C12 | C13 | H13 | 23.1° | 180.0° |
| N11 | C12 | C13 | H13D | 132.6° | 60.0° |
| N11 | C12 | C17 | C18 | 141.6° | 180.0° |
| N11 | C12 | C17 | O21 | 25.9° | 60.0° |
| N11 | C12 | C17 | H17 | 96.6° | 60.0° |
| H11 | N11 | C12 | C13 | 161.0° | 90.1° |
| H11 | N11 | C12 | C17 | 72.9° | 29.9° |
| H11 | N11 | C12 | H12 | 43.7° | 149.9° |
| C13 | C12 | C17 | H12 | 119.2° | 120.0° |
| C12 | C13 | C14 | H13 | 125.3° | 120.0° |
| C12 | C13 | C14 | H13D | 125.3° | 120.0° |
| C12 | C13 | H13 | H13D | 113.4° | 120.0° |
| C12 | C13 | C14 | F15 | 9.8° | 180.0° |
| C12 | C13 | C14 | F16 | 131.2° | 60.0° |
| C12 | C13 | C14 | H14 | 112.4° | 60.0° |
| C13 | C12 | C17 | C18 | 17.4° | 60.0° |
| C13 | C12 | C17 | O21 | 98.3° | 60.0° |
| C13 | C12 | C17 | H17 | 139.2° | 180.0° |
| C17 | C12 | C13 | C14 | 134.3° | 180.0° |
| C17 | C12 | C13 | H13 | 100.4° | 60.0° |
| C17 | C12 | C13 | H13D | 9.1° | 60.0° |
| C12 | C17 | C18 | O21 | 117.7° | 120.0° |
| C12 | C17 | C18 | H17 | 121.7° | 120.0° |
| C12 | C17 | O21 | H17 | 122.5° | 120.0° |
| C12 | C17 | C18 | O19 | 39.5° | 60.0° |
| C12 | C17 | C18 | O20 | 137.4° | 120.0° |
| C12 | C17 | O21 | H21 | 180.0° | 60.0° |
| H12 | C12 | C13 | C14 | 15.1° | 60.0° |
| H12 | C12 | C13 | H13 | 140.4° | 60.0° |
| H12 | C12 | C13 | H13D | 110.1° | 180.0° |
| H12 | C12 | C17 | C18 | 101.8° | 60.0° |
| H12 | C12 | C17 | O21 | 142.5° | 180.0° |
| H12 | C12 | C17 | H17 | 20.0° | 59.9° |
| C14 | C13 | H13 | H13D | 113.4° | 120.0° |
| C13 | C14 | F15 | F16 | 125.0° | 120.0° |
| C13 | C14 | F15 | H14 | 122.2° | 120.0° |
| C13 | C14 | F16 | H14 | 116.5° | 120.0° |
| H13 | C13 | C14 | F15 | 115.5° | 60.0° |
| H13 | C13 | C14 | F16 | 5.9° | 180.0° |
| H13 | C13 | C14 | H14 | 122.3° | 60.0° |
| H13D | C13 | C14 | F15 | 135.0° | 60.0° |
| H13D | C13 | C14 | F16 | 103.6° | 60.0° |
| H13D | C13 | C14 | H14 | 12.9° | 180.0° |
| F15 | C14 | F16 | H14 | 112.8° | 120.0° |
| C18 | C17 | O21 | H17 | 120.6° | 120.0° |
| C17 | C18 | O19 | O20 | 176.8° | 179.9° |
| C17 | C18 | O19 | H19 | 180.0° | 180.0° |
| C18 | C17 | O21 | H21 | 63.0° | 60.0° |
| O21 | C17 | C18 | O19 | 78.2° | 180.0° |
| O21 | C17 | C18 | O20 | 104.9° | 0.0° |
| H17 | C17 | C18 | O19 | 161.2° | 60.0° |
| H17 | C17 | C18 | O20 | 15.7° | 120.1° |
| H17 | C17 | O21 | H21 | 57.5° | 180.0° |
| O20 | C18 | O19 | H19 | 3.2° | 0.0° |
| C30 | C22 | H221 | H222 | 118.0° | 120.1° |
| C22 | C30 | C31 | C34 | 159.2° | 179.6° |
| C22 | C30 | C31 | C32 | 160.5° | 179.9° |
| C22 | C30 | C31 | H31 | 19.5° | 0.0° |
| C22 | C30 | C34 | S33 | 161.3° | 180.0° |
| C22 | C30 | C34 | C35 | 13.5° | 0.3° |
| H221 | C22 | C30 | C31 | 67.8° | 30.0° |
| H221 | C22 | C30 | C34 | 135.6° | 149.7° |
| H222 | C22 | C30 | C31 | 177.3° | 150.0° |
| H222 | C22 | C30 | C34 | 26.1° | 29.6° |
| C25 | C23 | H231 | H232 | 120.4° | 122.4° |
| C23 | C25 | C24 | C27 | 179.3° | 179.9° |
| C23 | C25 | C24 | C26 | 179.7° | 180.0° |
| C23 | C25 | C27 | C28 | 179.8° | 179.9° |
| C23 | C25 | C27 | H27 | 0.2° | 0.0° |
| H231 | C23 | C25 | C24 | 124.5° | 118.7° |
| H231 | C23 | C25 | C27 | 54.7° | 61.2° |
| H232 | C23 | C25 | C24 | 126.0° | 118.8° |
| H232 | C23 | C25 | C27 | 54.7° | 61.3° |
| C25 | C24 | C26 | C29 | 0.9° | 0.1° |
| C25 | C24 | C26 | H26 | 179.1° | 180.0° |
| C24 | C25 | C27 | C28 | 0.6° | 0.0° |
| C24 | C25 | C27 | H27 | 179.4° | 179.9° |
| C26 | C24 | C25 | C27 | 1.0° | 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 | 0.2° | 0.0° |
| C25 | C27 | C28 | H28 | 179.8° | 180.0° |
| C26 | C29 | C28 | C27 | 0.1° | 0.0° |
| C26 | C29 | C28 | H29 | 180.0° | 180.0° |
| C26 | C29 | C28 | H28 | 179.9° | 180.0° |
| H26 | C26 | C29 | C28 | 179.6° | 180.0° |
| H26 | C26 | C29 | H29 | 0.4° | 0.1° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | H29 | 179.9° | 180.0° |
| H27 | C27 | C28 | C29 | 179.8° | 180.0° |
| H27 | C27 | C28 | H28 | 0.2° | 0.0° |
| H28 | C28 | C29 | H29 | 0.1° | 0.0° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | S33 | 0.7° | 0.0° |
| C30 | C31 | C32 | H32 | 179.3° | 180.0° |
| C31 | C30 | C34 | S33 | 1.5° | 0.4° |
| C31 | C30 | C34 | C35 | 173.2° | 180.0° |
| C34 | C30 | C31 | C32 | 1.4° | 0.3° |
| C34 | C30 | C31 | H31 | 178.6° | 179.7° |
| C30 | C34 | S33 | C32 | 1.0° | 0.3° |
| C30 | C34 | S33 | C35 | 174.4° | 179.6° |
| C30 | C34 | C35 | O36 | 176.6° | 0.5° |
| C30 | C34 | C35 | O37 | 3.1° | 179.5° |
| C31 | C32 | S33 | H32 | 180.0° | 180.0° |
| C31 | C32 | S33 | C34 | 0.2° | 0.2° |
| H31 | C31 | C32 | S33 | 179.4° | 180.0° |
| H31 | C31 | C32 | H32 | 0.6° | 0.0° |
| C32 | S33 | C34 | C35 | 173.3° | 180.0° |
| H32 | C32 | S33 | C34 | 179.8° | 179.8° |
| S33 | C34 | C35 | O36 | 9.3° | 180.0° |
| S33 | C34 | C35 | O37 | 171.0° | 0.0° |
| C34 | C35 | O36 | O37 | 179.6° | 180.0° |
| C34 | C35 | O37 | H37 | 180.0° | 180.0° |
| O36 | C35 | O37 | H37 | 0.3° | 0.0° |
