ECO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.43Å | Aromatic |
| C1 | C10 | sing | 1.40Å | 1.45Å | Aromatic |
| C1 | HC1 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | sing | 1.39Å | 1.44Å | Aromatic |
| C2 | HC2 | sing | 1.08Å | 1.10Å | |
| C3 | O3 | sing | 1.36Å | 1.38Å | |
| C3 | C4 | doub | 1.38Å | 1.43Å | Aromatic |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | C5 | sing | 1.39Å | 1.46Å | Aromatic |
| C4 | HC4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.48Å | 1.55Å | |
| C5 | C10 | doub | 1.38Å | 1.49Å | Aromatic |
| C6 | C7 | sing | 1.52Å | 1.59Å | |
| C6 | N19 | doub | 1.29Å | 1.37Å | |
| C7 | C8 | sing | 1.53Å | 1.56Å | |
| C7 | HC71 | sing | 1.09Å | 1.11Å | |
| C7 | HC72 | sing | 1.09Å | 1.12Å | |
| C8 | C9 | sing | 1.53Å | 1.60Å | |
| C8 | C14 | sing | 1.53Å | 1.59Å | |
| C8 | HC8 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | sing | 1.50Å | 1.55Å | |
| C9 | C11 | sing | 1.52Å | 1.58Å | |
| C9 | HC9 | sing | 1.09Å | 1.11Å | |
| C11 | C12 | sing | 1.54Å | 1.55Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C12 | C13 | sing | 1.51Å | 1.55Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | C14 | sing | 1.55Å | 1.62Å | |
| C13 | C17 | sing | 1.52Å | 1.57Å | |
| C13 | C18 | sing | 1.53Å | 1.60Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | H14 | sing | 1.09Å | 1.12Å | |
| C15 | C16 | sing | 1.55Å | 1.58Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C16 | C17 | sing | 1.56Å | 1.58Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C17 | O17 | sing | 1.43Å | 1.46Å | |
| C17 | H17 | sing | 1.09Å | 1.12Å | |
| O17 | H17O | sing | 0.97Å | 0.95Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C18 | H183 | sing | 1.09Å | 1.12Å | |
| N19 | O19 | sing | 1.42Å | 1.47Å | |
| O19 | C19 | sing | 1.43Å | 1.40Å | |
| C19 | C20 | sing | 1.51Å | 1.54Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C20 | O20 | sing | 1.34Å | 1.26Å | |
| C20 | O21 | doub | 1.21Å | 1.25Å | |
| O20 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C10 | 121.6° | 120.1° |
| C2 | C1 | HC1 | 118.3° | 119.7° |
| C1 | C2 | C3 | 119.9° | 120.3° |
| C1 | C2 | HC2 | 119.8° | 119.8° |
| C10 | C1 | HC1 | 120.1° | 120.1° |
| C1 | C10 | C5 | 118.2° | 119.4° |
| C1 | C10 | C9 | 121.6° | 118.3° |
| C3 | C2 | HC2 | 120.3° | 119.9° |
| C2 | C3 | O3 | 119.1° | 120.1° |
| C2 | C3 | C4 | 120.7° | 119.8° |
| O3 | C3 | C4 | 120.2° | 120.1° |
| C3 | O3 | HO3 | 119.1° | 106.8° |
| C3 | C4 | C5 | 120.7° | 119.8° |
| C3 | C4 | HC4 | 118.8° | 120.1° |
| C5 | C4 | HC4 | 120.5° | 120.1° |
| C4 | C5 | C6 | 118.6° | 119.7° |
| C4 | C5 | C10 | 118.9° | 120.5° |
| C6 | C5 | C10 | 122.5° | 119.8° |
| C5 | C6 | C7 | 114.0° | 117.9° |
| C5 | C6 | N19 | 114.5° | 121.1° |
| C5 | C10 | C9 | 120.2° | 122.3° |
| C7 | C6 | N19 | 125.8° | 121.0° |
| C6 | C7 | C8 | 113.9° | 107.1° |
| C6 | C7 | HC71 | 110.6° | 110.0° |
| C6 | C7 | HC72 | 110.6° | 110.0° |
| C6 | N19 | O19 | 133.4° | 120.0° |
| C8 | C7 | HC71 | 110.6° | 109.9° |
| C8 | C7 | HC72 | 110.6° | 109.9° |
| C7 | C8 | C9 | 109.4° | 109.0° |
| C7 | C8 | C14 | 112.9° | 111.3° |
| C7 | C8 | HC8 | 106.6° | 109.7° |
| HC71 | C7 | HC72 | 99.7° | 110.0° |
| C9 | C8 | C14 | 107.6° | 106.5° |
| C9 | C8 | HC8 | 112.0° | 109.6° |
| C8 | C9 | C10 | 110.6° | 110.2° |
| C8 | C9 | C11 | 108.5° | 111.7° |
| C8 | C9 | HC9 | 110.3° | 107.9° |
| C14 | C8 | HC8 | 108.4° | 110.7° |
| C8 | C14 | C13 | 112.4° | 106.4° |
| C8 | C14 | C15 | 121.6° | 115.9° |
| C8 | C14 | H14 | 96.0° | 110.4° |
| C10 | C9 | C11 | 112.3° | 111.0° |
| C10 | C9 | HC9 | 106.4° | 107.9° |
| C11 | C9 | HC9 | 108.7° | 108.0° |
| C9 | C11 | C12 | 114.7° | 111.1° |
| C9 | C11 | H111 | 110.3° | 109.2° |
| C9 | C11 | H112 | 110.3° | 109.2° |
| C12 | C11 | H111 | 110.3° | 109.2° |
| C12 | C11 | H112 | 110.3° | 109.2° |
| C11 | C12 | C13 | 111.2° | 107.5° |
| C11 | C12 | H121 | 111.6° | 109.8° |
| C11 | C12 | H122 | 111.6° | 109.8° |
| H111 | C11 | H112 | 100.0° | 109.1° |
| C13 | C12 | H121 | 111.6° | 109.9° |
| C13 | C12 | H122 | 111.6° | 109.9° |
| C12 | C13 | C14 | 108.2° | 107.7° |
| C12 | C13 | C17 | 115.9° | 116.8° |
| C12 | C13 | C18 | 108.9° | 109.7° |
| H121 | C12 | H122 | 98.8° | 109.9° |
| C14 | C13 | C17 | 99.5° | 103.0° |
| C14 | C13 | C18 | 115.7° | 109.7° |
| C13 | C14 | C15 | 100.8° | 102.1° |
| C13 | C14 | H14 | 118.6° | 111.2° |
| C17 | C13 | C18 | 108.7° | 109.7° |
| C13 | C17 | C16 | 106.3° | 105.7° |
| C13 | C17 | O17 | 116.6° | 110.4° |
| C13 | C17 | H17 | 106.7° | 109.9° |
| C13 | C18 | H181 | 112.4° | 109.5° |
| C13 | C18 | H182 | 108.9° | 109.5° |
| C13 | C18 | H183 | 112.4° | 109.5° |
| C15 | C14 | H14 | 108.6° | 110.5° |
| C14 | C15 | C16 | 101.6° | 103.0° |
| C14 | C15 | H151 | 115.2° | 110.7° |
| C14 | C15 | H152 | 115.2° | 110.8° |
| C16 | C15 | H151 | 115.2° | 110.7° |
| C16 | C15 | H152 | 115.2° | 110.7° |
| C15 | C16 | C17 | 105.3° | 106.1° |
| C15 | C16 | H161 | 113.8° | 110.1° |
| C15 | C16 | H162 | 113.8° | 110.1° |
| H151 | C15 | H152 | 95.3° | 110.8° |
| C17 | C16 | H161 | 113.8° | 110.2° |
| C17 | C16 | H162 | 113.8° | 110.2° |
| C16 | C17 | O17 | 108.9° | 110.3° |
| C16 | C17 | H17 | 114.7° | 110.3° |
| H161 | C16 | H162 | 96.7° | 110.1° |
| O17 | C17 | H17 | 104.0° | 110.2° |
| C17 | O17 | H17O | 116.6° | 106.8° |
| H181 | C18 | H182 | 112.4° | 109.4° |
| H181 | C18 | H183 | 98.0° | 109.5° |
| H182 | C18 | H183 | 112.4° | 109.4° |
| N19 | O19 | C19 | 123.7° | 106.8° |
| O19 | C19 | C20 | 117.8° | 109.5° |
| O19 | C19 | H191 | 109.2° | 109.5° |
| O19 | C19 | H192 | 109.2° | 109.5° |
| C20 | C19 | H191 | 109.2° | 109.5° |
| C20 | C19 | H192 | 109.2° | 109.5° |
| C19 | C20 | O20 | 112.1° | 120.0° |
| C19 | C20 | O21 | 112.7° | 120.0° |
| H191 | C19 | H192 | 100.9° | 109.5° |
| O20 | C20 | O21 | 117.0° | 120.0° |
| C20 | O20 | H20 | 112.1° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C10 | HC1 | 180.0° | 179.9° |
| C1 | C2 | C3 | HC2 | 180.0° | 180.0° |
| C1 | C2 | C3 | O3 | 179.9° | 179.9° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C2 | C1 | C10 | C5 | 0.0° | 0.3° |
| C2 | C1 | C10 | C9 | 179.9° | 179.6° |
| C10 | C1 | C2 | C3 | 0.1° | 0.2° |
| C10 | C1 | C2 | HC2 | 179.9° | 179.8° |
| C1 | C10 | C5 | C4 | 0.2° | 0.2° |
| C1 | C10 | C5 | C6 | 179.5° | 179.8° |
| C1 | C10 | C5 | C9 | 179.9° | 179.3° |
| C1 | C10 | C9 | C8 | 152.5° | 156.2° |
| C1 | C10 | C9 | C11 | 31.1° | 31.9° |
| C1 | C10 | C9 | HC9 | 87.7° | 86.2° |
| HC1 | C1 | C2 | C3 | 179.9° | 179.9° |
| HC1 | C1 | C2 | HC2 | 0.1° | 0.1° |
| HC1 | C1 | C10 | C5 | 180.0° | 179.9° |
| HC1 | C1 | C10 | C9 | 0.0° | 0.5° |
| C2 | C3 | O3 | C4 | 180.0° | 180.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 90.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | HC4 | 179.9° | 180.0° |
| HC2 | C2 | C3 | O3 | 0.1° | 0.0° |
| HC2 | C2 | C3 | C4 | 179.9° | 180.0° |
| O3 | C3 | C4 | C5 | 179.9° | 180.0° |
| O3 | C3 | C4 | HC4 | 0.1° | 0.0° |
| C4 | C3 | O3 | HO3 | 0.0° | 90.0° |
| C3 | C4 | C5 | HC4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 179.5° | 179.7° |
| C3 | C4 | C5 | C10 | 0.3° | 0.0° |
| C4 | C5 | C6 | C10 | 179.8° | 179.6° |
| C4 | C5 | C6 | C7 | 179.0° | 170.3° |
| C4 | C5 | C6 | N19 | 23.9° | 9.6° |
| C4 | C5 | C10 | C9 | 179.9° | 179.5° |
| HC4 | C4 | C5 | C6 | 0.5° | 0.3° |
| HC4 | C4 | C5 | C10 | 179.7° | 179.9° |
| C5 | C6 | C7 | N19 | 151.7° | 179.9° |
| C5 | C6 | C7 | C8 | 31.5° | 41.3° |
| C5 | C6 | C7 | HC71 | 93.7° | 78.1° |
| C5 | C6 | C7 | HC72 | 156.8° | 160.7° |
| C6 | C5 | C10 | C9 | 0.4° | 0.8° |
| C5 | C6 | N19 | O19 | 149.1° | 8.8° |
| C10 | C5 | C6 | C7 | 0.8° | 10.0° |
| C10 | C5 | C6 | N19 | 155.8° | 170.1° |
| C5 | C10 | C9 | C8 | 27.6° | 24.5° |
| C5 | C10 | C9 | C11 | 149.0° | 148.7° |
| C5 | C10 | C9 | HC9 | 92.2° | 93.2° |
| C6 | C7 | C8 | HC71 | 125.3° | 119.4° |
| C6 | C7 | C8 | HC72 | 125.3° | 119.4° |
| C6 | C7 | HC71 | HC72 | 116.4° | 121.2° |
| C6 | C7 | C8 | C9 | 60.0° | 64.4° |
| C6 | C7 | C8 | C14 | 179.8° | 178.4° |
| C6 | C7 | C8 | HC8 | 61.3° | 55.6° |
| C7 | C6 | N19 | O19 | 2.5° | 171.3° |
| N19 | C6 | C7 | C8 | 176.7° | 138.8° |
| N19 | C6 | C7 | HC71 | 58.0° | 101.8° |
| N19 | C6 | C7 | HC72 | 51.5° | 19.4° |
| C6 | N19 | O19 | C19 | 1.8° | 180.0° |
| C8 | C7 | HC71 | HC72 | 116.4° | 121.1° |
| C7 | C8 | C9 | C14 | 123.0° | 120.2° |
| C7 | C8 | C9 | HC8 | 118.0° | 120.1° |
| C7 | C8 | C14 | HC8 | 117.9° | 122.2° |
| C7 | C8 | C9 | C10 | 56.6° | 56.5° |
| C7 | C8 | C9 | C11 | 179.8° | 179.6° |
| C7 | C8 | C9 | HC9 | 60.8° | 61.1° |
| C7 | C8 | C14 | C13 | 179.1° | 176.0° |
| C7 | C8 | C14 | C15 | 59.6° | 63.4° |
| C7 | C8 | C14 | H14 | 56.6° | 63.2° |
| HC71 | C7 | C8 | C9 | 65.3° | 55.0° |
| HC71 | C7 | C8 | C14 | 54.5° | 62.2° |
| HC71 | C7 | C8 | HC8 | 173.4° | 175.0° |
| HC72 | C7 | C8 | C9 | 174.7° | 176.1° |
| HC72 | C7 | C8 | C14 | 55.0° | 58.9° |
| HC72 | C7 | C8 | HC8 | 64.0° | 63.8° |
| C9 | C8 | C14 | HC8 | 121.4° | 119.1° |
| C8 | C9 | C10 | C11 | 121.4° | 124.3° |
| C8 | C9 | C10 | HC9 | 119.9° | 117.6° |
| C8 | C9 | C11 | HC9 | 120.0° | 118.5° |
| C8 | C9 | C11 | C12 | 57.6° | 55.8° |
| C8 | C9 | C11 | H111 | 67.7° | 64.6° |
| C8 | C9 | C11 | H112 | 177.1° | 176.3° |
| C9 | C8 | C14 | C13 | 60.1° | 65.3° |
| C9 | C8 | C14 | C15 | 179.6° | 177.9° |
| C9 | C8 | C14 | H14 | 64.2° | 55.5° |
| C14 | C8 | C9 | C10 | 179.6° | 176.7° |
| C14 | C8 | C9 | C11 | 56.8° | 59.5° |
| C14 | C8 | C9 | HC9 | 62.1° | 59.0° |
| C8 | C14 | C13 | C12 | 58.7° | 70.0° |
| C8 | C14 | C13 | C15 | 131.0° | 121.9° |
| C8 | C14 | C13 | H14 | 110.7° | 120.2° |
| C8 | C14 | C13 | C17 | 179.8° | 166.0° |
| C8 | C14 | C13 | C18 | 63.7° | 49.3° |
| C8 | C14 | C15 | H14 | 109.7° | 126.5° |
| C8 | C14 | C15 | C16 | 173.8° | 156.7° |
| C8 | C14 | C15 | H151 | 60.9° | 38.4° |
| C8 | C14 | C15 | H152 | 48.6° | 84.9° |
| HC8 | C8 | C9 | C10 | 61.3° | 63.6° |
| HC8 | C8 | C9 | C11 | 62.2° | 60.3° |
| HC8 | C8 | C9 | HC9 | 178.8° | 178.8° |
| HC8 | C8 | C14 | C13 | 61.2° | 53.8° |
| HC8 | C8 | C14 | C15 | 58.2° | 58.8° |
| HC8 | C8 | C14 | H14 | 174.5° | 174.6° |
| C10 | C9 | C11 | HC9 | 117.4° | 118.1° |
| C10 | C9 | C11 | C12 | 179.8° | 179.3° |
| C10 | C9 | C11 | H111 | 54.9° | 58.8° |
| C10 | C9 | C11 | H112 | 54.5° | 60.3° |
| C9 | C11 | C12 | H111 | 125.3° | 120.4° |
| C9 | C11 | C12 | H112 | 125.3° | 120.4° |
| C9 | C11 | H111 | H112 | 116.1° | 119.2° |
| C9 | C11 | C12 | C13 | 57.4° | 57.1° |
| C9 | C11 | C12 | H121 | 177.4° | 176.6° |
| C9 | C11 | C12 | H122 | 67.9° | 62.4° |
| HC9 | C9 | C11 | C12 | 62.4° | 62.6° |
| HC9 | C9 | C11 | H111 | 172.3° | 176.9° |
| HC9 | C9 | C11 | H112 | 62.9° | 57.8° |
| C12 | C11 | H111 | H112 | 116.1° | 119.2° |
| C11 | C12 | C13 | H121 | 125.3° | 119.5° |
| C11 | C12 | C13 | H122 | 125.3° | 119.5° |
| C11 | C12 | H121 | H122 | 117.5° | 121.0° |
| C11 | C12 | C13 | C14 | 54.5° | 64.2° |
| C11 | C12 | C13 | C17 | 165.1° | 179.4° |
| C11 | C12 | C13 | C18 | 72.0° | 55.1° |
| H111 | C11 | C12 | C13 | 67.9° | 63.3° |
| H111 | C11 | C12 | H121 | 57.4° | 56.2° |
| H111 | C11 | C12 | H122 | 166.8° | 177.2° |
| H112 | C11 | C12 | C13 | 177.4° | 177.5° |
| H112 | C11 | C12 | H121 | 52.1° | 62.9° |
| H112 | C11 | C12 | H122 | 57.3° | 58.1° |
| C13 | C12 | H121 | H122 | 117.5° | 121.0° |
| C12 | C13 | C14 | C17 | 121.4° | 124.0° |
| C12 | C13 | C14 | C18 | 122.4° | 119.3° |
| C12 | C13 | C17 | C18 | 123.0° | 125.5° |
| C12 | C13 | C14 | C15 | 170.2° | 168.1° |
| C12 | C13 | C14 | H14 | 51.9° | 50.3° |
| C12 | C13 | C17 | C16 | 145.2° | 146.6° |
| C12 | C13 | C17 | O17 | 93.3° | 94.1° |
| C12 | C13 | C17 | H17 | 22.3° | 27.7° |
| C12 | C13 | C18 | H181 | 54.7° | 54.6° |
| C12 | C13 | C18 | H182 | 180.0° | 174.6° |
| C12 | C13 | C18 | H183 | 54.7° | 65.4° |
| H121 | C12 | C13 | C14 | 179.8° | 176.3° |
| H121 | C12 | C13 | C17 | 69.6° | 61.1° |
| H121 | C12 | C13 | C18 | 53.3° | 64.4° |
| H122 | C12 | C13 | C14 | 70.8° | 55.3° |
| H122 | C12 | C13 | C17 | 39.8° | 59.9° |
| H122 | C12 | C13 | C18 | 162.7° | 174.6° |
| C14 | C13 | C17 | C18 | 121.3° | 116.7° |
| C13 | C14 | C15 | H14 | 125.3° | 118.4° |
| C13 | C14 | C15 | C16 | 48.8° | 41.6° |
| C13 | C14 | C15 | H151 | 174.1° | 76.7° |
| C13 | C14 | C15 | H152 | 76.4° | 160.0° |
| C14 | C13 | C17 | C16 | 29.5° | 28.8° |
| C14 | C13 | C17 | O17 | 151.0° | 148.1° |
| C14 | C13 | C17 | H17 | 93.3° | 90.1° |
| C14 | C13 | C18 | H181 | 67.3° | 63.4° |
| C14 | C13 | C18 | H182 | 58.0° | 56.5° |
| C14 | C13 | C18 | H183 | 176.8° | 176.6° |
| C17 | C13 | C14 | C15 | 48.8° | 44.1° |
| C17 | C13 | C14 | H14 | 69.5° | 73.7° |
| C13 | C17 | C16 | C15 | 0.8° | 3.2° |
| C13 | C17 | C16 | O17 | 126.3° | 119.3° |
| C13 | C17 | C16 | H17 | 117.7° | 118.7° |
| C13 | C17 | C16 | H161 | 126.1° | 115.9° |
| C13 | C17 | C16 | H162 | 124.4° | 122.4° |
| C13 | C17 | O17 | H17 | 117.2° | 121.6° |
| C13 | C17 | O17 | H17O | 180.0° | 177.8° |
| C17 | C13 | C18 | H181 | 178.1° | 175.9° |
| C17 | C13 | C18 | H182 | 52.8° | 55.9° |
| C17 | C13 | C18 | H183 | 72.4° | 64.1° |
| C18 | C13 | C14 | C15 | 67.3° | 72.6° |
| C18 | C13 | C14 | H14 | 174.4° | 169.5° |
| C18 | C13 | C17 | C16 | 91.8° | 87.9° |
| C18 | C13 | C17 | O17 | 29.7° | 31.4° |
| C18 | C13 | C17 | H17 | 145.3° | 153.2° |
| C13 | C18 | H181 | H182 | 123.3° | 120.0° |
| C13 | C18 | H181 | H183 | 118.4° | 120.1° |
| C13 | C18 | H182 | H183 | 125.3° | 120.0° |
| C14 | C15 | C16 | H151 | 125.3° | 118.4° |
| C14 | C15 | C16 | H152 | 125.3° | 118.4° |
| C14 | C15 | H151 | H152 | 121.1° | 123.3° |
| C14 | C15 | C16 | C17 | 30.3° | 24.0° |
| C14 | C15 | C16 | H161 | 95.0° | 143.2° |
| C14 | C15 | C16 | H162 | 155.5° | 95.3° |
| H14 | C14 | C15 | C16 | 76.5° | 76.8° |
| H14 | C14 | C15 | H151 | 48.8° | 164.9° |
| H14 | C14 | C15 | H152 | 158.3° | 41.6° |
| C16 | C15 | H151 | H152 | 121.0° | 123.2° |
| C15 | C16 | C17 | H161 | 125.3° | 119.1° |
| C15 | C16 | C17 | H162 | 125.3° | 119.1° |
| C15 | C16 | H161 | H162 | 119.7° | 121.5° |
| C15 | C16 | C17 | O17 | 127.1° | 122.5° |
| C15 | C16 | C17 | H17 | 116.8° | 115.5° |
| H151 | C15 | C16 | C17 | 155.5° | 94.4° |
| H151 | C15 | C16 | H161 | 30.3° | 24.9° |
| H151 | C15 | C16 | H162 | 79.2° | 146.4° |
| H152 | C15 | C16 | C17 | 95.0° | 142.4° |
| H152 | C15 | C16 | H161 | 139.7° | 98.3° |
| H152 | C15 | C16 | H162 | 30.3° | 23.2° |
| C17 | C16 | H161 | H162 | 119.7° | 121.8° |
| C16 | C17 | O17 | H17 | 122.7° | 122.0° |
| C16 | C17 | O17 | H17O | 59.9° | 61.4° |
| H161 | C16 | C17 | O17 | 107.6° | 3.4° |
| H161 | C16 | C17 | H17 | 8.5° | 125.4° |
| H162 | C16 | C17 | O17 | 1.9° | 118.3° |
| H162 | C16 | C17 | H17 | 117.9° | 3.7° |
| H17 | C17 | O17 | H17O | 62.8° | 60.6° |
| H181 | C18 | H182 | H183 | 109.4° | 119.9° |
| N19 | O19 | C19 | C20 | 130.2° | 180.0° |
| N19 | O19 | C19 | H191 | 104.5° | 60.0° |
| N19 | O19 | C19 | H192 | 4.9° | 60.0° |
| O19 | C19 | C20 | H191 | 125.3° | 120.0° |
| O19 | C19 | C20 | H192 | 125.2° | 120.0° |
| O19 | C19 | H191 | H192 | 114.9° | 120.0° |
| O19 | C19 | C20 | O20 | 34.9° | 180.0° |
| O19 | C19 | C20 | O21 | 169.4° | 0.0° |
| C20 | C19 | H191 | H192 | 114.9° | 120.0° |
| C19 | C20 | O20 | O21 | 132.4° | 180.0° |
| C19 | C20 | O20 | H20 | 180.0° | 180.0° |
| H191 | C19 | C20 | O20 | 90.4° | 60.0° |
| H191 | C19 | C20 | O21 | 44.1° | 120.0° |
| H192 | C19 | C20 | O20 | 160.1° | 60.0° |
| H192 | C19 | C20 | O21 | 65.3° | 120.0° |
| O21 | C20 | O20 | H20 | 47.6° | 0.0° |
