J80
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C1 | H13 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.39Å | 1.36Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | N4 | doub | 1.32Å | 1.34Å | Aromatic |
| C5 | N6 | sing | 1.39Å | 1.35Å | |
| N4 | N3 | sing | 1.28Å | 1.34Å | Aromatic |
| N6 | C7 | sing | 1.47Å | 1.47Å | |
| N6 | C11 | sing | 1.47Å | 1.48Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C8 | C9 | sing | 1.53Å | 1.50Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C9 | C12 | sing | 1.53Å | 1.51Å | |
| C9 | H9 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | C13 | sing | 1.53Å | 1.50Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C13 | C14 | sing | 1.53Å | 1.50Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C15 | O16 | sing | 1.43Å | 1.42Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| O16 | C17 | sing | 1.36Å | 1.34Å | |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| C20 | C23 | sing | 1.47Å | 1.38Å | |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | O24 | doub | 1.22Å | 1.24Å | |
| C23 | O25 | sing | 1.35Å | 1.46Å | |
| O25 | C26 | sing | 1.45Å | 1.40Å | |
| C26 | C27 | sing | 1.53Å | 1.55Å | |
| C26 | H261 | sing | 1.09Å | 1.12Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C27 | H271 | sing | 1.09Å | 1.11Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å | |
| C27 | H273 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H11 | 119.3° | 109.5° |
| C2 | C1 | H12 | 108.6° | 109.5° |
| C2 | C1 | H13 | 108.6° | 109.5° |
| C1 | C2 | C3 | 119.3° | 120.0° |
| C1 | C2 | N3 | 119.2° | 120.0° |
| H11 | C1 | H12 | 108.7° | 109.4° |
| H11 | C1 | H13 | 108.7° | 109.4° |
| H12 | C1 | H13 | 101.3° | 109.5° |
| C3 | C2 | N3 | 121.4° | 120.0° |
| C2 | C3 | C4 | 118.1° | 118.0° |
| C2 | C3 | H3 | 120.2° | 121.0° |
| C2 | N3 | N4 | 119.7° | 122.3° |
| C4 | C3 | H3 | 121.6° | 120.9° |
| C3 | C4 | C5 | 120.8° | 117.9° |
| C3 | C4 | H4 | 119.4° | 121.0° |
| C5 | C4 | H4 | 119.9° | 121.1° |
| C4 | C5 | N4 | 116.6° | 119.7° |
| C4 | C5 | N6 | 121.4° | 120.2° |
| N4 | C5 | N6 | 121.7° | 120.2° |
| C5 | N4 | N3 | 123.5° | 122.1° |
| C5 | N6 | C7 | 120.2° | 106.7° |
| C5 | N6 | C11 | 117.7° | 106.7° |
| C7 | N6 | C11 | 122.1° | 107.3° |
| N6 | C7 | C8 | 116.6° | 109.8° |
| N6 | C7 | H71 | 109.6° | 109.4° |
| N6 | C7 | H72 | 109.6° | 109.4° |
| N6 | C11 | C10 | 113.4° | 109.8° |
| N6 | C11 | H111 | 110.8° | 109.4° |
| N6 | C11 | H112 | 110.7° | 109.4° |
| C8 | C7 | H71 | 109.6° | 109.4° |
| C8 | C7 | H72 | 109.6° | 109.5° |
| C7 | C8 | C9 | 119.4° | 109.2° |
| C7 | C8 | H81 | 108.6° | 109.5° |
| C7 | C8 | H82 | 108.7° | 109.5° |
| H71 | C7 | H72 | 100.5° | 109.3° |
| C9 | C8 | H81 | 108.7° | 109.5° |
| C9 | C8 | H82 | 108.7° | 109.5° |
| C8 | C9 | C10 | 112.0° | 108.9° |
| C8 | C9 | C12 | 109.3° | 109.6° |
| C8 | C9 | H9 | 108.8° | 109.5° |
| H81 | C8 | H82 | 101.4° | 109.5° |
| C10 | C9 | C12 | 112.2° | 109.6° |
| C10 | C9 | H9 | 105.7° | 109.6° |
| C9 | C10 | C11 | 113.7° | 109.2° |
| C9 | C10 | H101 | 110.6° | 109.5° |
| C9 | C10 | H102 | 110.7° | 109.4° |
| C12 | C9 | H9 | 108.7° | 109.6° |
| C9 | C12 | C13 | 112.5° | 109.5° |
| C9 | C12 | H121 | 111.1° | 109.5° |
| C9 | C12 | H122 | 111.1° | 109.5° |
| C11 | C10 | H101 | 110.7° | 109.6° |
| C11 | C10 | H102 | 110.7° | 109.6° |
| C10 | C11 | H111 | 110.7° | 109.5° |
| C10 | C11 | H112 | 110.8° | 109.4° |
| H101 | C10 | H102 | 99.6° | 109.6° |
| H111 | C11 | H112 | 99.6° | 109.4° |
| C13 | C12 | H121 | 111.1° | 109.5° |
| C13 | C12 | H122 | 111.1° | 109.4° |
| C12 | C13 | C14 | 111.8° | 109.5° |
| C12 | C13 | H131 | 111.3° | 109.5° |
| C12 | C13 | H132 | 111.3° | 109.4° |
| H121 | C12 | H122 | 99.2° | 109.4° |
| C14 | C13 | H131 | 111.3° | 109.5° |
| C14 | C13 | H132 | 111.3° | 109.5° |
| C13 | C14 | C15 | 102.4° | 109.5° |
| C13 | C14 | H141 | 114.9° | 109.5° |
| C13 | C14 | H142 | 114.9° | 109.5° |
| H131 | C13 | H132 | 99.1° | 109.4° |
| C15 | C14 | H141 | 114.9° | 109.4° |
| C15 | C14 | H142 | 114.9° | 109.5° |
| C14 | C15 | O16 | 109.3° | 109.5° |
| C14 | C15 | H151 | 112.3° | 109.4° |
| C14 | C15 | H152 | 112.2° | 109.5° |
| H141 | C14 | H142 | 95.6° | 109.4° |
| O16 | C15 | H151 | 112.2° | 109.5° |
| O16 | C15 | H152 | 112.2° | 109.5° |
| C15 | O16 | C17 | 115.1° | 106.8° |
| H151 | C15 | H152 | 98.2° | 109.4° |
| O16 | C17 | C18 | 114.6° | 119.9° |
| O16 | C17 | C22 | 120.6° | 119.9° |
| C18 | C17 | C22 | 119.8° | 120.2° |
| C17 | C18 | C19 | 120.3° | 120.1° |
| C17 | C18 | H18 | 119.4° | 119.9° |
| C17 | C22 | C21 | 120.0° | 120.1° |
| C17 | C22 | H22 | 119.8° | 119.9° |
| C19 | C18 | H18 | 120.3° | 120.0° |
| C18 | C19 | C20 | 120.4° | 119.9° |
| C18 | C19 | H19 | 120.2° | 120.1° |
| C20 | C19 | H19 | 119.4° | 120.1° |
| C19 | C20 | C21 | 119.5° | 119.8° |
| C19 | C20 | C23 | 121.4° | 120.1° |
| C21 | C20 | C23 | 119.0° | 120.2° |
| C20 | C21 | C22 | 120.0° | 120.0° |
| C20 | C21 | H21 | 120.1° | 120.0° |
| C20 | C23 | O24 | 120.1° | 120.0° |
| C20 | C23 | O25 | 117.2° | 120.0° |
| C22 | C21 | H21 | 120.0° | 120.0° |
| C21 | C22 | H22 | 120.2° | 120.1° |
| O24 | C23 | O25 | 122.5° | 120.0° |
| C23 | O25 | C26 | 119.6° | 120.0° |
| O25 | C26 | C27 | 125.8° | 109.5° |
| O25 | C26 | H261 | 106.4° | 109.5° |
| O25 | C26 | H262 | 106.4° | 109.4° |
| C27 | C26 | H261 | 106.5° | 109.5° |
| C27 | C26 | H262 | 106.5° | 109.5° |
| C26 | C27 | H271 | 125.8° | 109.4° |
| C26 | C27 | H272 | 106.4° | 109.5° |
| C26 | C27 | H273 | 106.4° | 109.5° |
| H261 | C26 | H262 | 103.1° | 109.4° |
| H271 | C27 | H272 | 106.5° | 109.5° |
| H271 | C27 | H273 | 106.5° | 109.5° |
| H272 | C27 | H273 | 103.1° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H11 | H12 | 125.3° | 120.0° |
| C2 | C1 | H11 | H13 | 125.2° | 120.0° |
| C2 | C1 | H12 | H13 | 114.3° | 120.0° |
| C1 | C2 | C3 | N3 | 176.0° | 180.0° |
| C1 | C2 | C3 | C4 | 175.9° | 180.0° |
| C1 | C2 | C3 | H3 | 4.2° | 0.1° |
| C1 | C2 | N3 | N4 | 175.8° | 179.7° |
| H11 | C1 | H12 | H13 | 114.4° | 120.0° |
| H11 | C1 | C2 | C3 | 180.0° | 30.0° |
| H11 | C1 | C2 | N3 | 3.9° | 150.0° |
| H12 | C1 | C2 | C3 | 54.7° | 90.0° |
| H12 | C1 | C2 | N3 | 121.4° | 90.0° |
| H13 | C1 | C2 | C3 | 54.8° | 150.0° |
| H13 | C1 | C2 | N3 | 129.1° | 30.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C3 | C2 | N3 | N4 | 0.2° | 0.3° |
| N3 | C2 | C3 | C4 | 0.2° | 0.0° |
| N3 | C2 | C3 | H3 | 179.8° | 180.0° |
| C2 | N3 | N4 | C5 | 0.2° | 0.6° |
| C3 | C4 | C5 | H4 | 179.9° | 180.0° |
| C3 | C4 | C5 | N4 | 0.1° | 0.3° |
| C3 | C4 | C5 | N6 | 174.7° | 180.0° |
| H3 | C3 | C4 | C5 | 179.9° | 179.9° |
| H3 | C3 | C4 | H4 | 0.1° | 0.1° |
| C4 | C5 | N4 | N6 | 174.6° | 179.7° |
| C4 | C5 | N4 | N3 | 0.1° | 0.6° |
| C4 | C5 | N6 | C7 | 5.9° | 180.0° |
| C4 | C5 | N6 | C11 | 174.8° | 65.6° |
| H4 | C4 | C5 | N4 | 180.0° | 179.7° |
| H4 | C4 | C5 | N6 | 5.3° | 0.0° |
| N4 | C5 | N6 | C7 | 168.5° | 0.3° |
| N4 | C5 | N6 | C11 | 10.8° | 114.2° |
| N6 | C5 | N4 | N3 | 174.7° | 179.7° |
| C5 | N6 | C7 | C11 | 179.2° | 114.1° |
| C5 | N6 | C7 | C8 | 165.5° | 179.7° |
| C5 | N6 | C7 | H71 | 69.2° | 59.6° |
| C5 | N6 | C7 | H72 | 40.2° | 60.2° |
| C5 | N6 | C11 | C10 | 166.9° | 179.7° |
| C5 | N6 | C11 | H111 | 67.8° | 59.6° |
| C5 | N6 | C11 | H112 | 41.7° | 60.2° |
| N6 | C7 | C8 | H71 | 125.2° | 120.1° |
| N6 | C7 | C8 | H72 | 125.3° | 120.1° |
| N6 | C7 | H71 | H72 | 115.4° | 119.8° |
| N6 | C7 | C8 | C9 | 7.6° | 61.4° |
| N6 | C7 | C8 | H81 | 132.9° | 178.7° |
| N6 | C7 | C8 | H82 | 117.7° | 58.6° |
| C7 | N6 | C11 | C10 | 13.8° | 65.7° |
| C7 | N6 | C11 | H111 | 111.4° | 54.5° |
| C7 | N6 | C11 | H112 | 139.0° | 174.3° |
| C11 | N6 | C7 | C8 | 13.7° | 65.6° |
| C11 | N6 | C7 | H71 | 111.5° | 54.5° |
| C11 | N6 | C7 | H72 | 139.0° | 174.2° |
| N6 | C11 | C10 | C9 | 48.3° | 61.4° |
| N6 | C11 | C10 | H111 | 125.3° | 120.1° |
| N6 | C11 | C10 | H112 | 125.2° | 120.0° |
| N6 | C11 | C10 | H101 | 77.0° | 58.5° |
| N6 | C11 | C10 | H102 | 173.6° | 178.7° |
| N6 | C11 | H111 | H112 | 116.6° | 119.8° |
| C8 | C7 | H71 | H72 | 115.4° | 119.9° |
| C7 | C8 | C9 | H81 | 125.2° | 119.9° |
| C7 | C8 | C9 | H82 | 125.3° | 119.9° |
| C7 | C8 | H81 | H82 | 114.3° | 120.1° |
| C7 | C8 | C9 | C10 | 25.1° | 55.5° |
| C7 | C8 | C9 | C12 | 150.0° | 175.4° |
| C7 | C8 | C9 | H9 | 91.5° | 64.3° |
| H71 | C7 | C8 | C9 | 117.6° | 58.7° |
| H71 | C7 | C8 | H81 | 7.7° | 61.2° |
| H71 | C7 | C8 | H82 | 117.1° | 178.7° |
| H72 | C7 | C8 | C9 | 132.9° | 178.5° |
| H72 | C7 | C8 | H81 | 101.8° | 58.6° |
| H72 | C7 | C8 | H82 | 7.7° | 61.5° |
| C9 | C8 | H81 | H82 | 114.4° | 120.1° |
| C8 | C9 | C10 | C12 | 123.3° | 119.9° |
| C8 | C9 | C10 | H9 | 118.4° | 119.8° |
| C8 | C9 | C12 | H9 | 118.6° | 120.2° |
| C8 | C9 | C10 | C11 | 53.5° | 55.6° |
| C8 | C9 | C10 | H101 | 71.8° | 64.4° |
| C8 | C9 | C10 | H102 | 178.8° | 175.5° |
| C8 | C9 | C12 | C13 | 175.4° | 180.0° |
| C8 | C9 | C12 | H121 | 59.4° | 59.9° |
| C8 | C9 | C12 | H122 | 50.1° | 60.0° |
| H81 | C8 | C9 | C10 | 100.2° | 175.5° |
| H81 | C8 | C9 | C12 | 24.7° | 64.6° |
| H81 | C8 | C9 | H9 | 143.3° | 55.6° |
| H82 | C8 | C9 | C10 | 150.3° | 64.4° |
| H82 | C8 | C9 | C12 | 84.8° | 55.5° |
| H82 | C8 | C9 | H9 | 33.8° | 175.7° |
| C10 | C9 | C12 | H9 | 116.6° | 120.3° |
| C9 | C10 | C11 | H101 | 125.3° | 119.9° |
| C9 | C10 | C11 | H102 | 125.3° | 119.9° |
| C9 | C10 | H101 | H102 | 116.5° | 120.0° |
| C9 | C10 | C11 | H111 | 77.0° | 58.7° |
| C9 | C10 | C11 | H112 | 173.5° | 178.6° |
| C10 | C9 | C12 | C13 | 59.8° | 60.5° |
| C10 | C9 | C12 | H121 | 65.4° | 179.4° |
| C10 | C9 | C12 | H122 | 174.9° | 59.5° |
| C12 | C9 | C10 | C11 | 176.8° | 175.5° |
| C12 | C9 | C10 | H101 | 51.5° | 55.5° |
| C12 | C9 | C10 | H102 | 57.9° | 64.6° |
| C9 | C12 | C13 | H121 | 125.3° | 120.0° |
| C9 | C12 | C13 | H122 | 125.3° | 120.0° |
| C9 | C12 | H121 | H122 | 117.0° | 120.0° |
| C9 | C12 | C13 | C14 | 156.9° | 180.0° |
| C9 | C12 | C13 | H131 | 77.9° | 59.9° |
| C9 | C12 | C13 | H132 | 31.7° | 60.0° |
| H9 | C9 | C10 | C11 | 64.9° | 64.2° |
| H9 | C9 | C10 | H101 | 169.8° | 175.8° |
| H9 | C9 | C10 | H102 | 60.4° | 55.7° |
| H9 | C9 | C12 | C13 | 56.7° | 59.8° |
| H9 | C9 | C12 | H121 | 178.0° | 60.2° |
| H9 | C9 | C12 | H122 | 68.6° | 179.8° |
| C11 | C10 | H101 | H102 | 116.5° | 120.2° |
| C10 | C11 | H111 | H112 | 116.6° | 119.9° |
| H101 | C10 | C11 | H111 | 157.7° | 178.6° |
| H101 | C10 | C11 | H112 | 48.2° | 61.5° |
| H102 | C10 | C11 | H111 | 48.3° | 61.2° |
| H102 | C10 | C11 | H112 | 61.2° | 58.7° |
| C13 | C12 | H121 | H122 | 117.0° | 120.0° |
| C12 | C13 | C14 | H131 | 125.2° | 120.1° |
| C12 | C13 | C14 | H132 | 125.2° | 120.0° |
| C12 | C13 | H131 | H132 | 117.3° | 119.9° |
| C12 | C13 | C14 | C15 | 159.2° | 180.0° |
| C12 | C13 | C14 | H141 | 33.9° | 60.0° |
| C12 | C13 | C14 | H142 | 75.6° | 60.0° |
| H121 | C12 | C13 | C14 | 31.6° | 60.0° |
| H121 | C12 | C13 | H131 | 156.9° | 180.0° |
| H121 | C12 | C13 | H132 | 93.6° | 60.0° |
| H122 | C12 | C13 | C14 | 77.8° | 60.0° |
| H122 | C12 | C13 | H131 | 47.5° | 60.1° |
| H122 | C12 | C13 | H132 | 157.0° | 180.0° |
| C14 | C13 | H131 | H132 | 117.3° | 120.0° |
| C13 | C14 | C15 | H141 | 125.2° | 120.0° |
| C13 | C14 | C15 | H142 | 125.3° | 120.0° |
| C13 | C14 | H141 | H142 | 120.8° | 120.0° |
| C13 | C14 | C15 | O16 | 156.9° | 180.0° |
| C13 | C14 | C15 | H151 | 77.9° | 60.0° |
| C13 | C14 | C15 | H152 | 31.7° | 60.0° |
| H131 | C13 | C14 | C15 | 75.6° | 59.9° |
| H131 | C13 | C14 | H141 | 159.2° | 179.9° |
| H131 | C13 | C14 | H142 | 49.7° | 60.1° |
| H132 | C13 | C14 | C15 | 33.9° | 60.0° |
| H132 | C13 | C14 | H141 | 91.3° | 60.0° |
| H132 | C13 | C14 | H142 | 159.2° | 180.0° |
| C15 | C14 | H141 | H142 | 120.8° | 119.9° |
| C14 | C15 | O16 | H151 | 125.3° | 120.0° |
| C14 | C15 | O16 | H152 | 125.2° | 120.0° |
| C14 | C15 | H151 | H152 | 118.2° | 119.9° |
| C14 | C15 | O16 | C17 | 140.1° | 180.0° |
| H141 | C14 | C15 | O16 | 31.6° | 60.0° |
| H141 | C14 | C15 | H151 | 156.9° | NaN° |
| H141 | C14 | C15 | H152 | 93.6° | 60.1° |
| H142 | C14 | C15 | O16 | 77.8° | 60.0° |
| H142 | C14 | C15 | H151 | 47.4° | 60.1° |
| H142 | C14 | C15 | H152 | 157.0° | 180.0° |
| O16 | C15 | H151 | H152 | 118.2° | 120.0° |
| C15 | O16 | C17 | C18 | 111.7° | 180.0° |
| C15 | O16 | C17 | C22 | 43.2° | 0.1° |
| H151 | C15 | O16 | C17 | 14.8° | 60.0° |
| H152 | C15 | O16 | C17 | 94.7° | 60.0° |
| O16 | C17 | C18 | C22 | 155.1° | 179.9° |
| O16 | C17 | C18 | C19 | 154.9° | 180.0° |
| O16 | C17 | C18 | H18 | 25.2° | 0.0° |
| O16 | C17 | C22 | C21 | 153.3° | 179.8° |
| O16 | C17 | C22 | H22 | 26.7° | 0.1° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.3° | 0.0° |
| C17 | C18 | C19 | H19 | 179.7° | 180.0° |
| C18 | C17 | C22 | C21 | 0.3° | 0.1° |
| C18 | C17 | C22 | H22 | 179.6° | 180.0° |
| C22 | C17 | C18 | C19 | 0.3° | 0.1° |
| C22 | C17 | C18 | H18 | 179.7° | 179.9° |
| C17 | C22 | C21 | C20 | 0.2° | 0.4° |
| C17 | C22 | C21 | H22 | 180.0° | 179.9° |
| C17 | C22 | C21 | H21 | 179.8° | 180.0° |
| C18 | C19 | C20 | H19 | 179.9° | 180.0° |
| C18 | C19 | C20 | C21 | 0.8° | 0.3° |
| C18 | C19 | C20 | C23 | 176.2° | 180.0° |
| H18 | C18 | C19 | C20 | 179.7° | 180.0° |
| H18 | C18 | C19 | H19 | 0.3° | 0.0° |
| C19 | C20 | C21 | C23 | 177.1° | 179.7° |
| C19 | C20 | C21 | C22 | 0.8° | 0.5° |
| C19 | C20 | C21 | H21 | 179.2° | 179.9° |
| C19 | C20 | C23 | O24 | 1.2° | 0.0° |
| C19 | C20 | C23 | O25 | 172.9° | 179.9° |
| H19 | C19 | C20 | C21 | 179.1° | 179.7° |
| H19 | C19 | C20 | C23 | 3.8° | 0.0° |
| C20 | C21 | C22 | H21 | 180.0° | 179.5° |
| C20 | C21 | C22 | H22 | 179.8° | 179.7° |
| C21 | C20 | C23 | O24 | 175.9° | 179.7° |
| C21 | C20 | C23 | O25 | 10.1° | 0.2° |
| C23 | C20 | C21 | C22 | 176.3° | 179.8° |
| C23 | C20 | C21 | H21 | 3.7° | 0.2° |
| C20 | C23 | O24 | O25 | 173.8° | 179.9° |
| C20 | C23 | O25 | C26 | 160.0° | 180.0° |
| H21 | C21 | C22 | H22 | 0.2° | 0.1° |
| O24 | C23 | O25 | C26 | 26.0° | 0.1° |
| C23 | O25 | C26 | C27 | 82.3° | 179.9° |
| C23 | O25 | C26 | H261 | 152.4° | 59.9° |
| C23 | O25 | C26 | H262 | 42.9° | 60.0° |
| O25 | C26 | C27 | H261 | 125.3° | 120.0° |
| O25 | C26 | C27 | H262 | 125.2° | 120.0° |
| O25 | C26 | H261 | H262 | 111.8° | 119.9° |
| O25 | C26 | C27 | H271 | 180.0° | 180.0° |
| O25 | C26 | C27 | H272 | 54.7° | 60.0° |
| O25 | C26 | C27 | H273 | 54.7° | 60.0° |
| C27 | C26 | H261 | H262 | 111.8° | 120.0° |
| C26 | C27 | H271 | H272 | 125.3° | 120.0° |
| C26 | C27 | H271 | H273 | 125.2° | 120.0° |
| C26 | C27 | H272 | H273 | 111.8° | 120.0° |
| H261 | C26 | C27 | H271 | 54.7° | 60.0° |
| H261 | C26 | C27 | H272 | 180.0° | 60.0° |
| H261 | C26 | C27 | H273 | 70.5° | 180.0° |
| H262 | C26 | C27 | H271 | 54.8° | 60.0° |
| H262 | C26 | C27 | H272 | 70.5° | 180.0° |
| H262 | C26 | C27 | H273 | 180.0° | 60.0° |
| H271 | C27 | H272 | H273 | 111.9° | 120.0° |
