KEU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C21 | sing | 1.34Å | 1.32Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C21 | O5 | doub | 1.21Å | 1.23Å | |
| C21 | C20 | sing | 1.51Å | 1.48Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C19 | C17 | sing | 1.53Å | 1.49Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C17 | N | sing | 1.47Å | 1.51Å | |
| C17 | C18 | sing | 1.51Å | 1.59Å | |
| C17 | H17 | sing | 1.09Å | 1.11Å | |
| N | C | sing | 1.35Å | 1.39Å | |
| N | HN | sing | 0.97Å | 1.02Å | |
| C | O | doub | 1.22Å | 1.21Å | |
| C | C14 | sing | 1.48Å | 1.44Å | |
| C14 | C13 | doub | 1.39Å | 1.49Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.49Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.44Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C12 | C11 | doub | 1.38Å | 1.54Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C11 | C16 | sing | 1.38Å | 1.47Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.63Å | |
| C16 | C15 | doub | 1.38Å | 1.42Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C10 | C1 | sing | 1.53Å | 1.54Å | |
| C10 | C5 | sing | 1.53Å | 1.58Å | |
| C10 | H10 | sing | 1.09Å | 1.12Å | |
| C1 | C2 | sing | 1.53Å | 1.70Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12A | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.57Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.50Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | C9 | sing | 1.51Å | 1.34Å | |
| C4 | C7 | sing | 1.53Å | 1.47Å | |
| C4 | H4 | sing | 1.09Å | 1.11Å | |
| C9 | O1 | doub | 1.21Å | 1.40Å | |
| C9 | N3 | sing | 1.34Å | 1.61Å | |
| N3 | C8 | sing | 1.46Å | 1.35Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C8 | N2 | sing | 1.47Å | 1.34Å | |
| C8 | N1 | sing | 1.46Å | 1.26Å | |
| C8 | H8 | sing | 1.09Å | 1.11Å | |
| N2 | HN21 | sing | 1.01Å | 1.02Å | |
| N2 | HN22 | sing | 1.01Å | 1.02Å | |
| N1 | C7 | sing | 1.47Å | 1.48Å | |
| N1 | HN1 | sing | 1.01Å | 1.02Å | |
| C7 | N8 | sing | 1.47Å | 1.38Å | |
| C7 | H7 | sing | 1.09Å | 1.12Å | |
| N8 | HN61 | sing | 1.01Å | 1.02Å | |
| N8 | HN62 | sing | 1.01Å | 1.02Å | |
| C5 | OA2 | sing | 1.43Å | 1.16Å | |
| C5 | OA1 | sing | 1.43Å | 1.60Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| OA2 | HA2 | sing | 0.97Å | 0.95Å | |
| OA1 | HA1 | sing | 0.97Å | 0.95Å | |
| C6 | F2 | sing | 1.40Å | 1.39Å | |
| C6 | F1 | sing | 1.40Å | 1.33Å | |
| C6 | F | sing | 1.40Å | 1.34Å | |
| C18 | O3 | doub | 1.21Å | 1.22Å | |
| C18 | O2 | sing | 1.34Å | 1.38Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | O4 | HO4 | 126.5° | 120.0° |
| O4 | C21 | O5 | 126.5° | 120.0° |
| O4 | C21 | C20 | 110.1° | 120.0° |
| O5 | C21 | C20 | 123.4° | 120.0° |
| C21 | C20 | C19 | 113.5° | 109.5° |
| C21 | C20 | H201 | 110.7° | 109.5° |
| C21 | C20 | H202 | 110.7° | 109.5° |
| C19 | C20 | H201 | 110.8° | 109.5° |
| C19 | C20 | H202 | 110.8° | 109.5° |
| C20 | C19 | C17 | 113.5° | 109.5° |
| C20 | C19 | H191 | 110.7° | 109.5° |
| C20 | C19 | H192 | 110.7° | 109.5° |
| H201 | C20 | H202 | 99.5° | 109.4° |
| C17 | C19 | H191 | 110.7° | 109.5° |
| C17 | C19 | H192 | 110.7° | 109.5° |
| C19 | C17 | N | 103.2° | 109.5° |
| C19 | C17 | C18 | 116.5° | 109.5° |
| C19 | C17 | H17 | 109.7° | 109.5° |
| H191 | C19 | H192 | 99.6° | 109.4° |
| N | C17 | C18 | 110.9° | 109.5° |
| N | C17 | H17 | 115.3° | 109.5° |
| C17 | N | C | 121.5° | 120.0° |
| C17 | N | HN | 123.7° | 120.0° |
| C18 | C17 | H17 | 101.7° | 109.5° |
| C17 | C18 | O3 | 118.4° | 120.0° |
| C17 | C18 | O2 | 121.1° | 120.0° |
| C | N | HN | 114.8° | 120.0° |
| N | C | O | 121.8° | 120.0° |
| N | C | C14 | 117.9° | 120.0° |
| O | C | C14 | 120.2° | 120.0° |
| C | C14 | C13 | 115.8° | 120.1° |
| C | C14 | C15 | 122.4° | 120.1° |
| C13 | C14 | C15 | 121.8° | 119.7° |
| C14 | C13 | C12 | 119.9° | 119.8° |
| C14 | C13 | H13 | 121.9° | 120.1° |
| C14 | C15 | C16 | 118.7° | 119.8° |
| C14 | C15 | H15 | 123.2° | 120.0° |
| C12 | C13 | H13 | 118.2° | 120.1° |
| C13 | C12 | C11 | 117.6° | 120.1° |
| C13 | C12 | H12 | 118.0° | 119.9° |
| C11 | C12 | H12 | 124.4° | 120.0° |
| C12 | C11 | C16 | 120.6° | 120.3° |
| C12 | C11 | C10 | 124.9° | 119.8° |
| C16 | C11 | C10 | 114.5° | 119.8° |
| C11 | C16 | C15 | 121.4° | 120.2° |
| C11 | C16 | H16 | 121.3° | 119.9° |
| C11 | C10 | C1 | 110.1° | 109.5° |
| C11 | C10 | C5 | 123.2° | 109.5° |
| C11 | C10 | H10 | 98.0° | 109.4° |
| C15 | C16 | H16 | 117.3° | 119.9° |
| C16 | C15 | H15 | 118.1° | 120.1° |
| C1 | C10 | C5 | 107.6° | 109.5° |
| C1 | C10 | H10 | 116.8° | 109.5° |
| C10 | C1 | C2 | 100.6° | 109.5° |
| C10 | C1 | H11 | 115.6° | 109.5° |
| C10 | C1 | H12A | 115.6° | 109.5° |
| C5 | C10 | H10 | 101.0° | 109.5° |
| C10 | C5 | OA2 | 117.6° | 109.5° |
| C10 | C5 | OA1 | 97.6° | 109.4° |
| C10 | C5 | C6 | 118.2° | 109.5° |
| C2 | C1 | H11 | 115.6° | 109.4° |
| C2 | C1 | H12A | 115.6° | 109.4° |
| C1 | C2 | C3 | 116.4° | 109.5° |
| C1 | C2 | H21 | 109.7° | 109.5° |
| C1 | C2 | H22 | 109.7° | 109.4° |
| H11 | C1 | H12A | 94.8° | 109.4° |
| C3 | C2 | H21 | 109.7° | 109.5° |
| C3 | C2 | H22 | 109.7° | 109.5° |
| C2 | C3 | C4 | 98.9° | 109.5° |
| C2 | C3 | H31 | 116.3° | 109.5° |
| C2 | C3 | H32 | 116.3° | 109.5° |
| H21 | C2 | H22 | 100.6° | 109.5° |
| C4 | C3 | H31 | 116.3° | 109.4° |
| C4 | C3 | H32 | 116.3° | 109.4° |
| C3 | C4 | C9 | 107.8° | 109.6° |
| C3 | C4 | C7 | 140.9° | 109.6° |
| C3 | C4 | H4 | 75.8° | 109.6° |
| H31 | C3 | H32 | 94.0° | 109.5° |
| C9 | C4 | C7 | 111.4° | 109.0° |
| C9 | C4 | H4 | 176.2° | 109.5° |
| C4 | C9 | O1 | 133.6° | 119.2° |
| C4 | C9 | N3 | 125.8° | 121.4° |
| C7 | C4 | H4 | 65.0° | 109.5° |
| C4 | C7 | N1 | 120.3° | 108.6° |
| C4 | C7 | N8 | 121.0° | 109.7° |
| C4 | C7 | H7 | 42.3° | 109.6° |
| O1 | C9 | N3 | 100.6° | 119.3° |
| C9 | N3 | C8 | 115.8° | 123.0° |
| C9 | N3 | HN3 | 130.0° | 118.5° |
| C8 | N3 | HN3 | 114.3° | 118.5° |
| N3 | C8 | N2 | 121.0° | 109.2° |
| N3 | C8 | N1 | 119.9° | 110.9° |
| N3 | C8 | H8 | 60.6° | 109.1° |
| N2 | C8 | N1 | 119.1° | 109.2° |
| N2 | C8 | H8 | 86.8° | 109.2° |
| C8 | N2 | HN21 | 121.0° | 106.7° |
| C8 | N2 | HN22 | 108.0° | 106.7° |
| N1 | C8 | H8 | 125.0° | 109.2° |
| C8 | N1 | C7 | 126.9° | 106.8° |
| C8 | N1 | HN1 | 106.1° | 106.7° |
| HN21 | N2 | HN22 | 108.2° | 106.7° |
| C7 | N1 | HN1 | 106.1° | 106.7° |
| N1 | C7 | N8 | 118.7° | 109.6° |
| N1 | C7 | H7 | 125.6° | 109.7° |
| N8 | C7 | H7 | 100.6° | 109.6° |
| C7 | N8 | HN61 | 121.0° | 106.7° |
| C7 | N8 | HN62 | 108.1° | 106.7° |
| HN61 | N8 | HN62 | 108.1° | 106.7° |
| OA2 | C5 | OA1 | 100.2° | 109.5° |
| OA2 | C5 | C6 | 118.7° | 109.5° |
| C5 | OA2 | HA2 | 117.6° | 106.9° |
| OA1 | C5 | C6 | 95.8° | 109.4° |
| C5 | OA1 | HA1 | 97.6° | 106.8° |
| C5 | C6 | F2 | 120.1° | 109.5° |
| C5 | C6 | F1 | 100.0° | 109.4° |
| C5 | C6 | F | 109.4° | 109.4° |
| F2 | C6 | F1 | 104.3° | 109.5° |
| F2 | C6 | F | 109.7° | 109.5° |
| F1 | C6 | F | 112.9° | 109.5° |
| O3 | C18 | O2 | 120.5° | 120.0° |
| C18 | O2 | HO2 | 121.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C21 | O5 | C20 | 179.5° | 180.0° |
| O4 | C21 | C20 | C19 | 179.2° | 180.0° |
| O4 | C21 | C20 | H201 | 55.6° | 60.0° |
| O4 | C21 | C20 | H202 | 53.8° | 60.0° |
| HO4 | O4 | C21 | O5 | 180.0° | 0.0° |
| HO4 | O4 | C21 | C20 | 0.4° | 180.0° |
| O5 | C21 | C20 | C19 | 0.4° | 0.0° |
| O5 | C21 | C20 | H201 | 124.8° | 120.0° |
| O5 | C21 | C20 | H202 | 125.8° | 120.1° |
| C21 | C20 | C19 | H201 | 125.2° | 120.0° |
| C21 | C20 | C19 | H202 | 125.3° | 120.0° |
| C21 | C20 | H201 | H202 | 116.6° | 120.0° |
| C21 | C20 | C19 | C17 | 180.0° | 180.0° |
| C21 | C20 | C19 | H191 | 54.7° | 60.0° |
| C21 | C20 | C19 | H192 | 54.8° | 60.0° |
| C19 | C20 | H201 | H202 | 116.6° | 120.0° |
| C20 | C19 | C17 | H191 | 125.2° | 120.0° |
| C20 | C19 | C17 | H192 | 125.2° | 120.0° |
| C20 | C19 | H191 | H192 | 116.5° | 120.0° |
| C20 | C19 | C17 | N | 60.7° | 60.0° |
| C20 | C19 | C17 | C18 | 177.5° | 180.0° |
| C20 | C19 | C17 | H17 | 62.7° | 60.0° |
| H201 | C20 | C19 | C17 | 54.8° | 60.0° |
| H201 | C20 | C19 | H191 | 180.0° | 180.0° |
| H201 | C20 | C19 | H192 | 70.5° | 60.1° |
| H202 | C20 | C19 | C17 | 54.7° | 60.0° |
| H202 | C20 | C19 | H191 | 70.6° | 60.0° |
| H202 | C20 | C19 | H192 | 179.9° | 180.0° |
| C17 | C19 | H191 | H192 | 116.6° | 120.0° |
| C19 | C17 | N | C18 | 125.5° | 120.0° |
| C19 | C17 | N | H17 | 119.6° | 120.0° |
| C19 | C17 | C18 | H17 | 119.2° | 120.0° |
| C19 | C17 | N | C | 122.5° | 149.9° |
| C19 | C17 | N | HN | 57.5° | 30.0° |
| C19 | C17 | C18 | O3 | 82.7° | 90.0° |
| C19 | C17 | C18 | O2 | 97.2° | 90.0° |
| H191 | C19 | C17 | N | 174.1° | 60.0° |
| H191 | C19 | C17 | C18 | 52.3° | 60.0° |
| H191 | C19 | C17 | H17 | 62.5° | NaN° |
| H192 | C19 | C17 | N | 64.5° | 180.0° |
| H192 | C19 | C17 | C18 | 57.3° | 60.0° |
| H192 | C19 | C17 | H17 | 172.1° | 60.1° |
| N | C17 | C18 | H17 | 123.2° | 120.0° |
| C17 | N | C | HN | 180.0° | 179.9° |
| C17 | N | C | O | 1.3° | 0.1° |
| C17 | N | C | C14 | 176.8° | 180.0° |
| N | C17 | C18 | O3 | 159.7° | 150.0° |
| N | C17 | C18 | O2 | 20.4° | 30.0° |
| C18 | C17 | N | C | 112.0° | 90.1° |
| C18 | C17 | N | HN | 68.0° | 90.1° |
| C17 | C18 | O3 | O2 | 179.9° | 180.0° |
| C17 | C18 | O2 | HO2 | 180.0° | 179.9° |
| H17 | C17 | N | C | 2.9° | 30.0° |
| H17 | C17 | N | HN | 177.0° | 149.9° |
| H17 | C17 | C18 | O3 | 36.5° | 30.0° |
| H17 | C17 | C18 | O2 | 143.6° | 150.0° |
| N | C | O | C14 | 178.0° | 179.9° |
| N | C | C14 | C13 | 175.4° | 179.9° |
| N | C | C14 | C15 | 3.0° | 0.0° |
| HN | N | C | O | 178.7° | 180.0° |
| HN | N | C | C14 | 3.2° | 0.1° |
| O | C | C14 | C13 | 2.7° | 0.0° |
| O | C | C14 | C15 | 178.9° | 179.9° |
| C | C14 | C13 | C15 | 178.5° | 179.9° |
| C | C14 | C13 | C12 | 177.0° | 180.0° |
| C | C14 | C13 | H13 | 3.1° | 0.0° |
| C | C14 | C15 | C16 | 177.5° | 179.8° |
| C | C14 | C15 | H15 | 2.5° | 0.0° |
| C14 | C13 | C12 | H13 | 179.9° | 180.0° |
| C14 | C13 | C12 | C11 | 0.6° | 0.0° |
| C14 | C13 | C12 | H12 | 179.4° | 179.9° |
| C13 | C14 | C15 | C16 | 0.9° | 0.3° |
| C13 | C14 | C15 | H15 | 179.1° | 179.9° |
| C15 | C14 | C13 | C12 | 1.5° | 0.1° |
| C15 | C14 | C13 | H13 | 178.5° | 179.9° |
| C14 | C15 | C16 | C11 | 0.6° | 0.5° |
| C14 | C15 | C16 | H15 | 180.0° | 179.8° |
| C14 | C15 | C16 | H16 | 179.3° | 180.0° |
| C13 | C12 | C11 | H12 | 179.9° | 180.0° |
| C13 | C12 | C11 | C16 | 0.8° | 0.2° |
| C13 | C12 | C11 | C10 | 176.7° | 179.9° |
| H13 | C13 | C12 | C11 | 179.3° | 180.0° |
| H13 | C13 | C12 | H12 | 0.6° | 0.1° |
| C12 | C11 | C16 | C10 | 177.8° | 179.7° |
| C12 | C11 | C16 | C15 | 1.4° | 0.4° |
| C12 | C11 | C16 | H16 | 178.5° | 180.0° |
| C12 | C11 | C10 | C1 | 148.0° | 129.3° |
| C12 | C11 | C10 | C5 | 83.3° | 110.6° |
| C12 | C11 | C10 | H10 | 25.5° | 9.4° |
| H12 | C12 | C11 | C16 | 179.1° | 179.8° |
| H12 | C12 | C11 | C10 | 3.3° | 0.0° |
| C11 | C16 | C15 | H16 | 179.9° | 179.6° |
| C11 | C16 | C15 | H15 | 179.4° | 179.8° |
| C16 | C11 | C10 | C1 | 29.6° | 50.9° |
| C16 | C11 | C10 | C5 | 99.1° | 69.1° |
| C16 | C11 | C10 | H10 | 152.1° | 170.9° |
| C10 | C11 | C16 | C15 | 176.3° | 179.8° |
| C10 | C11 | C16 | H16 | 3.7° | 0.2° |
| C11 | C10 | C1 | C5 | 136.7° | 120.1° |
| C11 | C10 | C1 | H10 | 110.6° | 119.9° |
| C11 | C10 | C5 | H10 | 107.3° | 119.9° |
| C11 | C10 | C1 | C2 | 82.6° | 173.6° |
| C11 | C10 | C1 | H11 | 42.7° | 66.4° |
| C11 | C10 | C1 | H12A | 152.2° | 53.6° |
| C11 | C10 | C5 | OA2 | 153.6° | 177.5° |
| C11 | C10 | C5 | OA1 | 48.0° | 62.5° |
| C11 | C10 | C5 | C6 | 52.9° | 57.5° |
| H16 | C16 | C15 | H15 | 0.6° | 0.2° |
| C1 | C10 | C5 | H10 | 123.0° | 120.0° |
| C10 | C1 | C2 | H11 | 125.3° | 120.0° |
| C10 | C1 | C2 | H12A | 125.3° | 120.1° |
| C10 | C1 | H11 | H12A | 121.4° | 120.1° |
| C10 | C1 | C2 | C3 | 149.6° | 174.6° |
| C10 | C1 | C2 | H21 | 24.4° | 54.6° |
| C10 | C1 | C2 | H22 | 85.1° | 65.4° |
| C1 | C10 | C5 | OA2 | 76.6° | 62.4° |
| C1 | C10 | C5 | OA1 | 177.7° | 57.6° |
| C1 | C10 | C5 | C6 | 76.9° | 177.5° |
| C5 | C10 | C1 | C2 | 140.7° | 66.3° |
| C5 | C10 | C1 | H11 | 94.0° | 53.7° |
| C5 | C10 | C1 | H12A | 15.4° | 173.7° |
| C10 | C5 | OA2 | OA1 | 104.2° | 120.0° |
| C10 | C5 | OA2 | C6 | 153.3° | 120.1° |
| C10 | C5 | OA1 | C6 | 119.5° | 120.0° |
| C10 | C5 | OA2 | HA2 | 180.0° | 60.0° |
| C10 | C5 | OA1 | HA1 | 180.0° | 68.1° |
| C10 | C5 | C6 | F2 | 50.8° | 174.2° |
| C10 | C5 | C6 | F1 | 62.3° | 65.7° |
| C10 | C5 | C6 | F | 179.0° | 54.2° |
| H10 | C10 | C1 | C2 | 28.1° | 53.7° |
| H10 | C10 | C1 | H11 | 153.4° | 173.7° |
| H10 | C10 | C1 | H12A | 97.2° | 66.3° |
| H10 | C10 | C5 | OA2 | 46.4° | 57.6° |
| H10 | C10 | C5 | OA1 | 59.3° | 177.6° |
| H10 | C10 | C5 | C6 | 160.1° | 62.5° |
| C2 | C1 | H11 | H12A | 121.4° | 119.9° |
| C1 | C2 | C3 | H21 | 125.2° | 120.0° |
| C1 | C2 | C3 | H22 | 125.2° | 119.9° |
| C1 | C2 | H21 | H22 | 115.5° | 120.0° |
| C1 | C2 | C3 | C4 | 147.7° | 176.0° |
| C1 | C2 | C3 | H31 | 22.4° | 64.0° |
| C1 | C2 | C3 | H32 | 87.0° | 56.0° |
| H11 | C1 | C2 | C3 | 85.1° | 65.3° |
| H11 | C1 | C2 | H21 | 149.7° | 174.7° |
| H11 | C1 | C2 | H22 | 40.2° | 54.6° |
| H12A | C1 | C2 | C3 | 24.4° | 54.6° |
| H12A | C1 | C2 | H21 | 100.8° | 65.4° |
| H12A | C1 | C2 | H22 | 149.6° | 174.5° |
| C3 | C2 | H21 | H22 | 115.5° | 120.0° |
| C2 | C3 | C4 | H31 | 125.3° | 120.0° |
| C2 | C3 | C4 | H32 | 125.3° | 120.0° |
| C2 | C3 | H31 | H32 | 122.0° | 120.0° |
| C2 | C3 | C4 | C9 | 96.2° | 174.8° |
| C2 | C3 | C4 | C7 | 84.4° | 65.6° |
| C2 | C3 | C4 | H4 | 82.6° | 54.6° |
| H21 | C2 | C3 | C4 | 87.1° | 56.0° |
| H21 | C2 | C3 | H31 | 147.6° | 175.9° |
| H21 | C2 | C3 | H32 | 38.2° | 64.0° |
| H22 | C2 | C3 | C4 | 22.5° | 64.0° |
| H22 | C2 | C3 | H31 | 102.9° | 55.9° |
| H22 | C2 | C3 | H32 | 147.8° | 176.0° |
| C4 | C3 | H31 | H32 | 122.1° | 120.0° |
| C3 | C4 | C9 | C7 | 179.6° | 119.9° |
| C3 | C4 | C9 | H4 | 162.1° | 120.2° |
| C3 | C4 | C7 | H4 | 2.0° | 120.2° |
| C3 | C4 | C9 | O1 | 0.0° | 45.2° |
| C3 | C4 | C9 | N3 | 179.9° | 134.8° |
| C3 | C4 | C7 | N1 | 178.8° | 169.9° |
| C3 | C4 | C7 | N8 | 0.0° | 50.0° |
| C3 | C4 | C7 | H7 | 70.1° | 70.4° |
| H31 | C3 | C4 | C9 | 138.5° | 54.8° |
| H31 | C3 | C4 | C7 | 40.9° | 174.4° |
| H31 | C3 | C4 | H4 | 42.7° | 65.4° |
| H32 | C3 | C4 | C9 | 29.0° | 65.2° |
| H32 | C3 | C4 | C7 | 150.3° | 54.4° |
| H32 | C3 | C4 | H4 | 152.2° | 174.6° |
| C9 | C4 | C7 | H4 | 178.7° | 119.8° |
| C4 | C9 | O1 | N3 | 179.9° | 180.0° |
| C4 | C9 | N3 | C8 | 0.1° | 0.8° |
| C4 | C9 | N3 | HN3 | 179.9° | 179.2° |
| C9 | C4 | C7 | N1 | 0.5° | 49.9° |
| C9 | C4 | C7 | N8 | 179.4° | 69.9° |
| C9 | C4 | C7 | H7 | 110.6° | 169.7° |
| C7 | C4 | C9 | O1 | 179.6° | 165.1° |
| C7 | C4 | C9 | N3 | 0.5° | 14.9° |
| C4 | C7 | N1 | C8 | 2.5° | 72.5° |
| C4 | C7 | N1 | N8 | 178.9° | 119.9° |
| C4 | C7 | N1 | H7 | 50.6° | 119.7° |
| C4 | C7 | N1 | HN1 | 127.7° | 173.7° |
| C4 | C7 | N8 | H7 | 40.1° | 120.4° |
| C4 | C7 | N8 | HN61 | 180.0° | 179.2° |
| C4 | C7 | N8 | HN62 | 54.7° | 67.0° |
| H4 | C4 | C9 | O1 | 162.1° | 75.1° |
| H4 | C4 | C9 | N3 | 17.8° | 105.0° |
| H4 | C4 | C7 | N1 | 179.2° | 69.9° |
| H4 | C4 | C7 | N8 | 1.9° | 170.2° |
| H4 | C4 | C7 | H7 | 68.1° | 49.8° |
| O1 | C9 | N3 | C8 | 180.0° | 179.1° |
| O1 | C9 | N3 | HN3 | 0.0° | 0.8° |
| C9 | N3 | C8 | HN3 | 180.0° | 180.0° |
| C9 | N3 | C8 | N2 | 179.9° | 98.8° |
| C9 | N3 | C8 | N1 | 1.6° | 21.6° |
| C9 | N3 | C8 | H8 | 114.3° | 142.0° |
| N3 | C8 | N2 | N1 | 178.6° | 121.4° |
| N3 | C8 | N2 | H8 | 52.6° | 119.2° |
| N3 | C8 | N1 | H8 | 73.2° | 120.3° |
| N3 | C8 | N2 | HN21 | 180.0° | 59.3° |
| N3 | C8 | N2 | HN22 | 54.7° | 173.0° |
| N3 | C8 | N1 | C7 | 2.9° | 56.3° |
| N3 | C8 | N1 | HN1 | 128.2° | 170.1° |
| HN3 | N3 | C8 | N2 | 0.2° | 81.2° |
| HN3 | N3 | C8 | N1 | 178.4° | 158.4° |
| HN3 | N3 | C8 | H8 | 65.7° | 38.0° |
| N2 | C8 | N1 | H8 | 108.2° | 119.3° |
| C8 | N2 | HN21 | HN22 | 125.3° | 113.7° |
| N2 | C8 | N1 | C7 | 178.5° | 64.1° |
| N2 | C8 | N1 | HN1 | 53.3° | 49.7° |
| N1 | C8 | N2 | HN21 | 1.4° | 179.3° |
| N1 | C8 | N2 | HN22 | 126.7° | 65.5° |
| C8 | N1 | C7 | HN1 | 125.2° | 113.8° |
| C8 | N1 | C7 | N8 | 178.7° | 47.4° |
| C8 | N1 | C7 | H7 | 48.2° | 167.8° |
| H8 | C8 | N2 | HN21 | 127.4° | 59.9° |
| H8 | C8 | N2 | HN22 | 2.1° | 53.8° |
| H8 | C8 | N1 | C7 | 70.3° | 176.6° |
| H8 | C8 | N1 | HN1 | 55.0° | 69.6° |
| N1 | C7 | N8 | H7 | 141.0° | 120.4° |
| N1 | C7 | N8 | HN61 | 1.1° | 60.0° |
| N1 | C7 | N8 | HN62 | 124.1° | 173.8° |
| HN1 | N1 | C7 | N8 | 53.4° | 66.4° |
| HN1 | N1 | C7 | H7 | 77.1° | 54.0° |
| C7 | N8 | HN61 | HN62 | 125.2° | 113.8° |
| H7 | C7 | N8 | HN61 | 140.0° | 60.4° |
| H7 | C7 | N8 | HN62 | 94.8° | 53.4° |
| OA2 | C5 | OA1 | C6 | 120.6° | 120.0° |
| OA2 | C5 | OA1 | HA1 | 60.1° | 171.9° |
| OA2 | C5 | C6 | F2 | 156.0° | 54.2° |
| OA2 | C5 | C6 | F1 | 90.9° | 174.2° |
| OA2 | C5 | C6 | F | 27.8° | 65.8° |
| OA1 | C5 | OA2 | HA2 | 75.8° | 180.0° |
| OA1 | C5 | C6 | F2 | 51.0° | 65.8° |
| OA1 | C5 | C6 | F1 | 164.1° | 54.2° |
| OA1 | C5 | C6 | F | 77.2° | 174.2° |
| C6 | C5 | OA2 | HA2 | 26.6° | 60.1° |
| C6 | C5 | OA1 | HA1 | 60.5° | 51.8° |
| C5 | C6 | F2 | F1 | 110.8° | 120.0° |
| C5 | C6 | F2 | F | 128.1° | 120.0° |
| C5 | C6 | F1 | F | 116.1° | 119.9° |
| F2 | C6 | F1 | F | 119.0° | 120.1° |
| O3 | C18 | O2 | HO2 | 0.1° | 0.1° |
