5QC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C10 | sing | 1.40Å | 1.32Å | |
| F1 | C10 | sing | 1.40Å | 1.34Å | |
| F2 | C10 | sing | 1.40Å | 1.36Å | |
| O3 | N | sing | 1.41Å | 1.33Å | Aromatic |
| O3 | C | sing | 1.35Å | 1.33Å | Aromatic |
| O1 | C13 | doub | 1.22Å | 1.23Å | |
| N | C2 | doub | 1.30Å | 1.36Å | Aromatic |
| N1 | C2 | sing | 1.39Å | 1.33Å | |
| N1 | HN11 | sing | 0.97Å | 1.00Å | |
| N1 | HN12 | sing | 0.97Å | 1.00Å | |
| N2 | N3 | sing | 1.29Å | 1.37Å | Aromatic |
| N2 | C5 | sing | 1.40Å | 1.37Å | Aromatic |
| N2 | C9 | sing | 1.35Å | 1.37Å | Aromatic |
| N3 | C7 | doub | 1.32Å | 1.35Å | Aromatic |
| N4 | C13 | sing | 1.35Å | 1.38Å | |
| N4 | C14 | sing | 1.40Å | 1.37Å | |
| N4 | C29 | sing | 1.46Å | 1.49Å | |
| C | C1 | doub | 1.40Å | 1.45Å | Aromatic |
| C | C3 | sing | 1.39Å | 1.48Å | Aromatic |
| C1 | C2 | sing | 1.47Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.46Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.48Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.39Å | 1.48Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.47Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C10 | sing | 1.51Å | 1.52Å | |
| C8 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | C31 | sing | 1.50Å | 1.51Å | |
| C9 | C13 | sing | 1.47Å | 1.40Å | |
| C14 | C15 | sing | 1.39Å | 1.45Å | Aromatic |
| C14 | C19 | doub | 1.39Å | 1.47Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.45Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | sing | 1.39Å | 1.48Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | doub | 1.39Å | 1.47Å | Aromatic |
| C17 | C24 | sing | 1.48Å | 1.53Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.46Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | doub | 1.39Å | 1.46Å | Aromatic |
| C24 | C12 | sing | 1.39Å | 1.48Å | Aromatic |
| C25 | C11 | sing | 1.51Å | 1.54Å | |
| C25 | C22 | sing | 1.38Å | 1.48Å | Aromatic |
| C11 | N7 | sing | 1.47Å | 1.48Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| N7 | C20 | sing | 1.47Å | 1.49Å | |
| N7 | C23 | sing | 1.48Å | 1.48Å | |
| C20 | C28 | sing | 1.54Å | 1.54Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C23 | C27 | sing | 1.55Å | 1.52Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C12 | C21 | doub | 1.38Å | 1.46Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C21 | C26 | sing | 1.38Å | 1.45Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C26 | doub | 1.38Å | 1.45Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | C28 | sing | 1.55Å | 1.53Å | |
| C27 | O2 | sing | 1.43Å | 1.32Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C29 | C31 | sing | 1.53Å | 1.54Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C10 | F1 | 112.6° | 109.5° |
| F | C10 | F2 | 110.9° | 109.5° |
| F | C10 | C7 | 105.6° | 109.5° |
| F1 | C10 | F2 | 110.4° | 109.4° |
| F1 | C10 | C7 | 106.7° | 109.5° |
| F2 | C10 | C7 | 110.5° | 109.5° |
| N | O3 | C | 112.2° | 109.5° |
| O3 | N | C2 | 106.4° | 109.6° |
| O3 | C | C1 | 108.3° | 107.2° |
| O3 | C | C3 | 133.2° | 133.1° |
| O1 | C13 | N4 | 122.8° | 121.6° |
| O1 | C13 | C9 | 120.7° | 121.7° |
| N | C2 | N1 | 127.1° | 126.4° |
| N | C2 | C1 | 111.4° | 107.2° |
| C2 | N1 | HN11 | 107.8° | 120.0° |
| C2 | N1 | HN12 | 126.1° | 119.9° |
| N1 | C2 | C1 | 121.5° | 126.4° |
| HN11 | N1 | HN12 | 126.1° | 120.1° |
| N3 | N2 | C5 | 121.9° | 125.3° |
| N3 | N2 | C9 | 109.1° | 109.3° |
| N2 | N3 | C7 | 109.1° | 111.0° |
| C5 | N2 | C9 | 128.5° | 125.4° |
| N2 | C5 | C4 | 121.8° | 119.9° |
| N2 | C5 | C6 | 118.0° | 119.9° |
| N2 | C9 | C8 | 106.6° | 106.4° |
| N2 | C9 | C13 | 129.7° | 133.1° |
| N3 | C7 | C8 | 107.4° | 107.6° |
| N3 | C7 | C10 | 128.1° | 126.2° |
| C13 | N4 | C14 | 120.5° | 118.7° |
| C13 | N4 | C29 | 119.6° | 122.7° |
| N4 | C13 | C9 | 116.4° | 116.7° |
| C14 | N4 | C29 | 119.8° | 118.7° |
| N4 | C14 | C15 | 116.5° | 119.9° |
| N4 | C14 | C19 | 121.4° | 119.9° |
| N4 | C29 | C31 | 113.6° | 112.7° |
| N4 | C29 | H291 | 108.1° | 108.8° |
| N4 | C29 | H292 | 107.1° | 108.8° |
| C1 | C | C3 | 118.5° | 119.6° |
| C | C1 | C2 | 101.6° | 106.4° |
| C | C1 | C6 | 122.4° | 120.0° |
| C | C3 | C4 | 120.7° | 120.0° |
| C | C3 | H3 | 119.6° | 120.0° |
| C2 | C1 | C6 | 135.9° | 133.6° |
| C1 | C6 | C5 | 119.0° | 119.6° |
| C1 | C6 | H6 | 120.5° | 120.2° |
| C4 | C3 | H3 | 119.7° | 120.0° |
| C3 | C4 | C5 | 119.1° | 120.5° |
| C3 | C4 | H4 | 120.4° | 119.8° |
| C5 | C4 | H4 | 120.5° | 119.7° |
| C4 | C5 | C6 | 120.2° | 120.2° |
| C5 | C6 | H6 | 120.5° | 120.2° |
| C8 | C7 | C10 | 124.5° | 126.2° |
| C7 | C8 | C9 | 107.8° | 105.7° |
| C7 | C8 | C31 | 131.7° | 132.5° |
| C9 | C8 | C31 | 120.5° | 121.8° |
| C8 | C9 | C13 | 123.6° | 120.4° |
| C8 | C31 | C29 | 104.3° | 108.7° |
| C8 | C31 | H311 | 111.2° | 109.6° |
| C8 | C31 | H312 | 112.4° | 109.6° |
| C15 | C14 | C19 | 122.1° | 120.1° |
| C14 | C15 | C16 | 119.3° | 120.0° |
| C14 | C15 | H15 | 120.4° | 120.0° |
| C14 | C19 | C18 | 118.5° | 120.0° |
| C14 | C19 | H19 | 120.8° | 120.0° |
| C16 | C15 | H15 | 120.4° | 120.0° |
| C15 | C16 | C17 | 120.1° | 120.0° |
| C15 | C16 | H16 | 119.9° | 120.0° |
| C17 | C16 | H16 | 119.9° | 120.0° |
| C16 | C17 | C18 | 119.9° | 119.9° |
| C16 | C17 | C24 | 119.8° | 120.0° |
| C18 | C17 | C24 | 120.3° | 120.0° |
| C17 | C18 | C19 | 120.1° | 119.9° |
| C17 | C18 | H18 | 119.9° | 120.1° |
| C17 | C24 | C25 | 124.1° | 120.1° |
| C17 | C24 | C12 | 119.6° | 120.1° |
| C19 | C18 | H18 | 119.9° | 120.0° |
| C18 | C19 | H19 | 120.7° | 120.0° |
| C25 | C24 | C12 | 116.2° | 119.8° |
| C24 | C25 | C11 | 122.2° | 120.1° |
| C24 | C25 | C22 | 122.6° | 119.9° |
| C24 | C12 | C21 | 120.4° | 119.9° |
| C24 | C12 | H12 | 119.8° | 120.1° |
| C11 | C25 | C22 | 115.3° | 120.1° |
| C25 | C11 | N7 | 112.3° | 109.5° |
| C25 | C11 | H111 | 108.5° | 109.5° |
| C25 | C11 | H112 | 107.9° | 109.5° |
| C25 | C22 | C26 | 120.3° | 120.1° |
| C25 | C22 | H22 | 119.9° | 119.9° |
| N7 | C11 | H111 | 108.6° | 109.5° |
| N7 | C11 | H112 | 107.9° | 109.5° |
| C11 | N7 | C20 | 120.4° | 106.7° |
| C11 | N7 | C23 | 111.9° | 106.7° |
| H111 | C11 | H112 | 111.7° | 109.4° |
| C20 | N7 | C23 | 107.6° | 108.6° |
| N7 | C20 | C28 | 103.4° | 107.2° |
| N7 | C20 | H201 | 111.6° | 109.9° |
| N7 | C20 | H202 | 112.8° | 109.9° |
| N7 | C23 | C27 | 101.7° | 104.8° |
| N7 | C23 | H231 | 112.2° | 110.4° |
| N7 | C23 | H232 | 113.8° | 110.4° |
| C28 | C20 | H201 | 111.6° | 109.9° |
| C28 | C20 | H202 | 112.8° | 109.9° |
| C20 | C28 | C27 | 96.1° | 103.0° |
| C20 | C28 | H281 | 114.2° | 110.7° |
| C20 | C28 | H282 | 116.9° | 110.7° |
| H201 | C20 | H202 | 104.9° | 110.0° |
| C27 | C23 | H231 | 112.1° | 110.4° |
| C27 | C23 | H232 | 113.8° | 110.4° |
| C23 | C27 | C28 | 99.9° | 101.7° |
| C23 | C27 | O2 | 107.3° | 111.0° |
| C23 | C27 | H27 | 117.3° | 110.9° |
| H231 | C23 | H232 | 103.6° | 110.4° |
| C21 | C12 | H12 | 119.8° | 120.1° |
| C12 | C21 | C26 | 123.2° | 120.1° |
| C12 | C21 | H21 | 118.4° | 119.9° |
| C26 | C21 | H21 | 118.4° | 119.9° |
| C21 | C26 | C22 | 117.3° | 120.3° |
| C21 | C26 | H26 | 121.3° | 119.9° |
| C26 | C22 | H22 | 119.9° | 120.0° |
| C22 | C26 | H26 | 121.4° | 119.9° |
| C28 | C27 | O2 | 111.1° | 111.0° |
| C28 | C27 | H27 | 113.9° | 111.0° |
| C27 | C28 | H281 | 114.2° | 110.7° |
| C27 | C28 | H282 | 116.9° | 110.7° |
| O2 | C27 | H27 | 107.2° | 110.9° |
| C27 | O2 | HO2 | 109.5° | 106.8° |
| H281 | C28 | H282 | 99.6° | 110.7° |
| C31 | C29 | H291 | 108.1° | 108.8° |
| C31 | C29 | H292 | 107.2° | 108.8° |
| C29 | C31 | H311 | 111.3° | 109.6° |
| C29 | C31 | H312 | 112.4° | 109.6° |
| H291 | C29 | H292 | 112.8° | 108.7° |
| H311 | C31 | H312 | 105.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C10 | F1 | F2 | 124.5° | 120.0° |
| F | C10 | F1 | C7 | 115.4° | 120.0° |
| F | C10 | F2 | C7 | 116.7° | 120.0° |
| F | C10 | C7 | N3 | 136.6° | 114.9° |
| F | C10 | C7 | C8 | 45.7° | 65.1° |
| F1 | C10 | F2 | C7 | 117.8° | 120.0° |
| F1 | C10 | C7 | N3 | 103.3° | 5.0° |
| F1 | C10 | C7 | C8 | 74.3° | 174.9° |
| F2 | C10 | C7 | N3 | 16.7° | 125.0° |
| F2 | C10 | C7 | C8 | 165.6° | 55.0° |
| O3 | N | C2 | N1 | 179.7° | 180.0° |
| N | O3 | C | C1 | 0.4° | 0.2° |
| N | O3 | C | C3 | 179.1° | 180.0° |
| O3 | N | C2 | C1 | 0.0° | 0.2° |
| C | O3 | N | C2 | 0.3° | 0.0° |
| O3 | C | C1 | C3 | 179.5° | 179.9° |
| O3 | C | C1 | C2 | 0.3° | 0.3° |
| O3 | C | C1 | C6 | 179.6° | 179.6° |
| O3 | C | C3 | C4 | 180.0° | 180.0° |
| O3 | C | C3 | H3 | 0.0° | 0.0° |
| O1 | C13 | C9 | N2 | 19.6° | 8.5° |
| O1 | C13 | N4 | C9 | 179.9° | 179.7° |
| O1 | C13 | N4 | C14 | 2.2° | 11.3° |
| O1 | C13 | N4 | C29 | 175.3° | 168.7° |
| O1 | C13 | C9 | C8 | 164.4° | 169.5° |
| N | C2 | N1 | C1 | 179.7° | 179.8° |
| N | C2 | N1 | HN11 | 179.8° | 0.1° |
| N | C2 | N1 | HN12 | 0.2° | 179.7° |
| N | C2 | C1 | C | 0.2° | 0.3° |
| N | C2 | C1 | C6 | 179.7° | 179.5° |
| C2 | N1 | HN11 | HN12 | 180.0° | 179.8° |
| N1 | C2 | C1 | C | 179.9° | 179.8° |
| N1 | C2 | C1 | C6 | 0.1° | 0.7° |
| HN11 | N1 | C2 | C1 | 0.1° | 179.7° |
| HN12 | N1 | C2 | C1 | 179.9° | 0.5° |
| N3 | N2 | C5 | C9 | 170.9° | 179.8° |
| N3 | N2 | C5 | C4 | 106.9° | 140.3° |
| N3 | N2 | C5 | C6 | 73.1° | 39.8° |
| N2 | N3 | C7 | C8 | 0.2° | 0.1° |
| N2 | N3 | C7 | C10 | 177.8° | 179.9° |
| N3 | N2 | C9 | C8 | 0.2° | 1.4° |
| N3 | N2 | C9 | C13 | 176.3° | 179.6° |
| C5 | N2 | N3 | C7 | 172.5° | 179.3° |
| N2 | C5 | C6 | C1 | 179.4° | 179.8° |
| N2 | C5 | C4 | C3 | 179.1° | 180.0° |
| N2 | C5 | C4 | C6 | 180.0° | 180.0° |
| N2 | C5 | C4 | H4 | 0.9° | 0.0° |
| N2 | C5 | C6 | H6 | 0.6° | 0.0° |
| C5 | N2 | C9 | C8 | 172.0° | 178.8° |
| C5 | N2 | C9 | C13 | 4.5° | 0.6° |
| C9 | N2 | N3 | C7 | 0.0° | 0.9° |
| N2 | C9 | C13 | N4 | 160.4° | 171.2° |
| C9 | N2 | C5 | C4 | 82.2° | 40.0° |
| C9 | N2 | C5 | C6 | 97.8° | 140.0° |
| N2 | C9 | C8 | C7 | 0.3° | 1.3° |
| N2 | C9 | C8 | C13 | 176.8° | 178.5° |
| N2 | C9 | C8 | C31 | 179.2° | 178.8° |
| N3 | C7 | C8 | C10 | 178.1° | 180.0° |
| N3 | C7 | C8 | C9 | 0.3° | 0.8° |
| N3 | C7 | C8 | C31 | 179.0° | 179.4° |
| C13 | N4 | C14 | C29 | 177.5° | 179.9° |
| N4 | C13 | C9 | C8 | 15.6° | 10.8° |
| C13 | N4 | C14 | C15 | 120.3° | 67.4° |
| C13 | N4 | C14 | C19 | 56.2° | 112.9° |
| C13 | N4 | C29 | C31 | 40.8° | 40.8° |
| C13 | N4 | C29 | H291 | 160.8° | 161.7° |
| C13 | N4 | C29 | H292 | 77.3° | 80.0° |
| C14 | N4 | C13 | C9 | 177.7° | 169.0° |
| N4 | C14 | C15 | C19 | 176.5° | 179.7° |
| N4 | C14 | C15 | C16 | 174.0° | 179.9° |
| N4 | C14 | C15 | H15 | 6.0° | 0.0° |
| N4 | C14 | C19 | C18 | 173.8° | 179.7° |
| N4 | C14 | C19 | H19 | 6.2° | 0.2° |
| C14 | N4 | C29 | C31 | 141.6° | 139.1° |
| C14 | N4 | C29 | H291 | 21.6° | 18.2° |
| C14 | N4 | C29 | H292 | 100.2° | 100.0° |
| N4 | C29 | C31 | C8 | 52.1° | 45.8° |
| C29 | N4 | C13 | C9 | 4.7° | 11.0° |
| C29 | N4 | C14 | C15 | 57.3° | 112.6° |
| C29 | N4 | C14 | C19 | 126.3° | 67.2° |
| N4 | C29 | C31 | H291 | 120.0° | 120.9° |
| N4 | C29 | C31 | H292 | 118.2° | 120.8° |
| N4 | C29 | H291 | H292 | 118.3° | 118.4° |
| N4 | C29 | C31 | H311 | 68.0° | 74.0° |
| N4 | C29 | C31 | H312 | 174.0° | 165.6° |
| C | C1 | C2 | C6 | 179.8° | 179.2° |
| C1 | C | C3 | C4 | 0.6° | 0.2° |
| C1 | C | C3 | H3 | 179.4° | 179.8° |
| C | C1 | C6 | C5 | 0.4° | 0.6° |
| C | C1 | C6 | H6 | 179.6° | 179.7° |
| C3 | C | C1 | C2 | 179.2° | 179.8° |
| C3 | C | C1 | C6 | 0.9° | 0.5° |
| C | C3 | C4 | H3 | 180.0° | 180.0° |
| C | C3 | C4 | C5 | 0.3° | 0.0° |
| C | C3 | C4 | H4 | 179.7° | 180.0° |
| C2 | C1 | C6 | C5 | 179.8° | 179.7° |
| C2 | C1 | C6 | H6 | 0.2° | 0.6° |
| C1 | C6 | C5 | C4 | 0.5° | 0.3° |
| C1 | C6 | C5 | H6 | 180.0° | 179.8° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.8° | 0.0° |
| H3 | C3 | C4 | C5 | 179.8° | 180.0° |
| H3 | C3 | C4 | H4 | 0.2° | 0.0° |
| C4 | C5 | C6 | H6 | 179.5° | 180.0° |
| H4 | C4 | C5 | C6 | 179.2° | 180.0° |
| C7 | C8 | C9 | C31 | 178.8° | 179.9° |
| C7 | C8 | C9 | C13 | 176.5° | 179.8° |
| C7 | C8 | C31 | C29 | 143.6° | 152.1° |
| C7 | C8 | C31 | H311 | 96.4° | 88.2° |
| C7 | C8 | C31 | H312 | 21.6° | 32.3° |
| C10 | C7 | C8 | C9 | 177.7° | 179.2° |
| C10 | C7 | C8 | C31 | 0.9° | 0.6° |
| C9 | C8 | C31 | C29 | 35.0° | 27.8° |
| C9 | C8 | C31 | H311 | 85.1° | 92.0° |
| C9 | C8 | C31 | H312 | 156.9° | 147.6° |
| C31 | C8 | C9 | C13 | 2.4° | 0.3° |
| C8 | C31 | C29 | H311 | 120.0° | 119.8° |
| C8 | C31 | C29 | H312 | 122.0° | 119.8° |
| C8 | C31 | C29 | H291 | 172.1° | 166.6° |
| C8 | C31 | C29 | H292 | 66.1° | 75.1° |
| C8 | C31 | H311 | H312 | 122.1° | 120.4° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.1° | 0.1° |
| C14 | C15 | C16 | H16 | 179.9° | 180.0° |
| C15 | C14 | C19 | C18 | 2.5° | 0.6° |
| C15 | C14 | C19 | H19 | 177.5° | 179.9° |
| C19 | C14 | C15 | C16 | 2.4° | 0.3° |
| C19 | C14 | C15 | H15 | 177.6° | 179.7° |
| C14 | C19 | C18 | C17 | 0.3° | 0.6° |
| C14 | C19 | C18 | H19 | 180.0° | 179.5° |
| C14 | C19 | C18 | H18 | 179.7° | 179.7° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 2.0° | 0.1° |
| C15 | C16 | C17 | C24 | 177.1° | 180.0° |
| H15 | C15 | C16 | C17 | 179.9° | 180.0° |
| H15 | C15 | C16 | H16 | 0.1° | 0.1° |
| C16 | C17 | C18 | C24 | 179.1° | 179.9° |
| C16 | C17 | C18 | C19 | 1.9° | 0.3° |
| C16 | C17 | C18 | H18 | 178.1° | 180.0° |
| C16 | C17 | C24 | C25 | 124.4° | 123.7° |
| C16 | C17 | C24 | C12 | 58.3° | 56.6° |
| H16 | C16 | C17 | C18 | 178.0° | 180.0° |
| H16 | C16 | C17 | C24 | 2.9° | 0.1° |
| C17 | C18 | C19 | H18 | 180.0° | 179.7° |
| C17 | C18 | C19 | H19 | 179.7° | 179.9° |
| C18 | C17 | C24 | C25 | 56.5° | 56.2° |
| C18 | C17 | C24 | C12 | 120.8° | 123.5° |
| C24 | C17 | C18 | C19 | 177.2° | 179.8° |
| C24 | C17 | C18 | H18 | 2.8° | 0.0° |
| C17 | C24 | C25 | C12 | 177.4° | 179.7° |
| C17 | C24 | C25 | C11 | 2.0° | 0.3° |
| C17 | C24 | C25 | C22 | 177.9° | 179.7° |
| C17 | C24 | C12 | C21 | 177.9° | 180.0° |
| C17 | C24 | C12 | H12 | 2.1° | 0.0° |
| H18 | C18 | C19 | H19 | 0.3° | 0.2° |
| C24 | C25 | C11 | C22 | 179.9° | 179.5° |
| C24 | C25 | C11 | N7 | 112.4° | 73.1° |
| C24 | C25 | C11 | H111 | 127.6° | 166.9° |
| C24 | C25 | C11 | H112 | 6.4° | 46.9° |
| C25 | C24 | C12 | C21 | 0.4° | 0.3° |
| C25 | C24 | C12 | H12 | 179.6° | 179.8° |
| C24 | C25 | C22 | C26 | 0.4° | 0.5° |
| C24 | C25 | C22 | H22 | 179.6° | 179.7° |
| C12 | C24 | C25 | C11 | 179.4° | 180.0° |
| C12 | C24 | C25 | C22 | 0.5° | 0.5° |
| C24 | C12 | C21 | H12 | 180.0° | 180.0° |
| C24 | C12 | C21 | C26 | 0.7° | 0.0° |
| C24 | C12 | C21 | H21 | 179.3° | 180.0° |
| C25 | C11 | N7 | H111 | 120.0° | 120.0° |
| C25 | C11 | N7 | H112 | 118.8° | 120.0° |
| C25 | C11 | H111 | H112 | 118.8° | 120.0° |
| C25 | C11 | N7 | C20 | 177.4° | 74.7° |
| C25 | C11 | N7 | C23 | 54.8° | 169.3° |
| C11 | C25 | C22 | C26 | 179.6° | 180.0° |
| C11 | C25 | C22 | H22 | 0.4° | 0.2° |
| C22 | C25 | C11 | N7 | 67.6° | 106.4° |
| C22 | C25 | C11 | H111 | 52.4° | 13.6° |
| C22 | C25 | C11 | H112 | 173.5° | 133.6° |
| C25 | C22 | C26 | C21 | 1.5° | 0.3° |
| C25 | C22 | C26 | H22 | 180.0° | 179.8° |
| C25 | C22 | C26 | H26 | 178.5° | 179.8° |
| N7 | C11 | H111 | H112 | 118.9° | 120.0° |
| C11 | N7 | C20 | C23 | 129.7° | 114.7° |
| C11 | N7 | C20 | C28 | 147.2° | 115.7° |
| C11 | N7 | C20 | H201 | 92.8° | 124.9° |
| C11 | N7 | C20 | H202 | 24.9° | 3.8° |
| C11 | N7 | C23 | C27 | 117.3° | 138.7° |
| C11 | N7 | C23 | H231 | 122.7° | 19.9° |
| C11 | N7 | C23 | H232 | 5.5° | 102.4° |
| H111 | C11 | N7 | C20 | 57.4° | 45.3° |
| H111 | C11 | N7 | C23 | 174.8° | 70.7° |
| H112 | C11 | N7 | C20 | 63.8° | 165.2° |
| H112 | C11 | N7 | C23 | 64.0° | 49.3° |
| N7 | C20 | C28 | H201 | 120.0° | 119.4° |
| N7 | C20 | C28 | H202 | 122.2° | 119.4° |
| N7 | C20 | H201 | H202 | 122.4° | 121.1° |
| C20 | N7 | C23 | C27 | 17.0° | 24.1° |
| C20 | N7 | C23 | H231 | 102.9° | 94.8° |
| C20 | N7 | C23 | H232 | 139.8° | 142.9° |
| N7 | C20 | C28 | C27 | 44.0° | 22.3° |
| N7 | C20 | C28 | H281 | 164.0° | 140.7° |
| N7 | C20 | C28 | H282 | 80.3° | 96.1° |
| C23 | N7 | C20 | C28 | 17.4° | 1.0° |
| C23 | N7 | C20 | H201 | 137.5° | 120.4° |
| C23 | N7 | C20 | H202 | 104.8° | 118.5° |
| N7 | C23 | C27 | H231 | 120.0° | 118.8° |
| N7 | C23 | C27 | H232 | 122.8° | 118.9° |
| N7 | C23 | H231 | H232 | 123.2° | 122.3° |
| N7 | C23 | C27 | C28 | 45.2° | 37.0° |
| N7 | C23 | C27 | O2 | 161.1° | 155.2° |
| N7 | C23 | C27 | H27 | 78.3° | 81.1° |
| C28 | C20 | H201 | H202 | 122.5° | 121.2° |
| C20 | C28 | C27 | C23 | 54.5° | 35.6° |
| C20 | C28 | C27 | H281 | 120.0° | 118.4° |
| C20 | C28 | C27 | H282 | 124.3° | 118.3° |
| C20 | C28 | C27 | O2 | 167.5° | 153.8° |
| C20 | C28 | C27 | H27 | 71.3° | 82.4° |
| C20 | C28 | H281 | H282 | 125.4° | 123.1° |
| H201 | C20 | C28 | C27 | 164.0° | 97.1° |
| H201 | C20 | C28 | H281 | 75.9° | 21.3° |
| H201 | C20 | C28 | H282 | 39.8° | 144.5° |
| H202 | C20 | C28 | C27 | 78.2° | 141.7° |
| H202 | C20 | C28 | H281 | 41.8° | 99.9° |
| H202 | C20 | C28 | H282 | 157.5° | 23.3° |
| C27 | C23 | H231 | H232 | 123.1° | 122.3° |
| C23 | C27 | C28 | O2 | 113.0° | 118.2° |
| C23 | C27 | C28 | H27 | 125.8° | 118.0° |
| C23 | C27 | O2 | H27 | 126.8° | 123.8° |
| C23 | C27 | C28 | H281 | 174.5° | 154.0° |
| C23 | C27 | C28 | H282 | 69.8° | 82.7° |
| C23 | C27 | O2 | HO2 | 105.8° | 173.8° |
| H231 | C23 | C27 | C28 | 74.8° | 81.8° |
| H231 | C23 | C27 | O2 | 41.1° | 36.4° |
| H231 | C23 | C27 | H27 | 161.7° | 160.1° |
| H232 | C23 | C27 | C28 | 168.0° | 155.9° |
| H232 | C23 | C27 | O2 | 76.1° | 86.0° |
| H232 | C23 | C27 | H27 | 44.5° | 37.8° |
| C12 | C21 | C26 | H21 | 180.0° | 180.0° |
| C12 | C21 | C26 | C22 | 1.6° | 0.0° |
| C12 | C21 | C26 | H26 | 178.4° | 180.0° |
| H12 | C12 | C21 | C26 | 179.3° | 180.0° |
| H12 | C12 | C21 | H21 | 0.7° | 0.0° |
| C21 | C26 | C22 | H26 | 180.0° | 180.0° |
| C21 | C26 | C22 | H22 | 178.5° | 180.0° |
| H21 | C21 | C26 | C22 | 178.4° | 180.0° |
| H21 | C21 | C26 | H26 | 1.6° | 0.0° |
| H22 | C22 | C26 | H26 | 1.5° | 0.0° |
| C28 | C27 | O2 | H27 | 125.0° | 123.9° |
| C27 | C28 | H281 | H282 | 125.4° | 123.2° |
| C28 | C27 | O2 | HO2 | 146.0° | 61.4° |
| O2 | C27 | C28 | H281 | 72.5° | 87.8° |
| O2 | C27 | C28 | H282 | 43.2° | 35.4° |
| H27 | C27 | C28 | H281 | 48.7° | 36.0° |
| H27 | C27 | C28 | H282 | 164.4° | 159.2° |
| H27 | C27 | O2 | HO2 | 21.0° | 62.4° |
| C31 | C29 | H291 | H292 | 118.3° | 118.4° |
| C29 | C31 | H311 | H312 | 122.1° | 120.4° |
| H291 | C29 | C31 | H311 | 52.0° | 46.9° |
| H291 | C29 | C31 | H312 | 66.0° | 73.6° |
| H292 | C29 | C31 | H311 | 173.9° | 165.2° |
| H292 | C29 | C31 | H312 | 55.8° | 44.7° |
