A1JPK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.53Å | 1.60Å | |
| O03 | C02 | sing | 1.45Å | 1.50Å | |
| C04 | O03 | sing | 1.35Å | 1.37Å | |
| O05 | C04 | doub | 1.22Å | 1.30Å | |
| C06 | C04 | sing | 1.48Å | 1.59Å | |
| C07 | C06 | doub | 1.40Å | 1.46Å | Aromatic |
| C08 | C07 | sing | 1.37Å | 1.44Å | Aromatic |
| C09 | C08 | doub | 1.39Å | 1.46Å | Aromatic |
| N10 | C09 | sing | 1.38Å | 1.45Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.56Å | |
| C13 | C12 | sing | 1.53Å | 1.57Å | |
| N14 | C13 | sing | 1.46Å | 1.51Å | |
| C15 | N14 | sing | 1.47Å | 1.54Å | |
| C16 | C15 | sing | 1.54Å | 1.56Å | |
| C17 | C16 | sing | 1.55Å | 1.47Å | |
| C18 | C17 | sing | 1.51Å | 1.53Å | |
| O19 | C18 | doub | 1.21Å | 1.23Å | |
| C11 | N10 | sing | 1.47Å | 1.51Å | |
| C20 | N10 | sing | 1.37Å | 1.45Å | Aromatic |
| C22 | N21 | sing | 1.36Å | 1.47Å | Aromatic |
| C23 | C22 | doub | 1.40Å | 1.48Å | Aromatic |
| N21 | C20 | doub | 1.31Å | 1.40Å | Aromatic |
| C24 | C20 | sing | 1.48Å | 1.63Å | |
| C25 | C24 | doub | 1.39Å | 1.44Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.45Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.44Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.42Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.45Å | Aromatic |
| C06 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C09 | C22 | sing | 1.41Å | 1.40Å | Aromatic |
| N14 | C18 | sing | 1.34Å | 1.47Å | |
| C24 | C29 | sing | 1.40Å | 1.46Å | Aromatic |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | O03 | 114.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C01 | C02 | H021 | 108.2° | 109.5° |
| C01 | C02 | H022 | 108.2° | 109.4° |
| C02 | O03 | C04 | 125.8° | 117.0° |
| O03 | C02 | H021 | 108.2° | 109.5° |
| O03 | C02 | H022 | 108.2° | 109.4° |
| O03 | C04 | O05 | 112.9° | 120.0° |
| O03 | C04 | C06 | 130.9° | 120.0° |
| O05 | C04 | C06 | 116.2° | 120.0° |
| C04 | C06 | C07 | 120.7° | 119.9° |
| C04 | C06 | C23 | 121.0° | 119.9° |
| C06 | C07 | C08 | 121.8° | 120.5° |
| C07 | C06 | C23 | 118.3° | 120.2° |
| C06 | C07 | H071 | 119.1° | 119.8° |
| C07 | C08 | C09 | 119.0° | 120.2° |
| C08 | C07 | H071 | 119.1° | 119.7° |
| C07 | C08 | H081 | 120.5° | 119.8° |
| C08 | C09 | N10 | 132.8° | 133.7° |
| C08 | C09 | C22 | 119.2° | 120.2° |
| C09 | C08 | H081 | 120.5° | 120.0° |
| C09 | N10 | C11 | 127.8° | 126.4° |
| C09 | N10 | C20 | 108.2° | 107.3° |
| N10 | C09 | C22 | 108.0° | 106.2° |
| C11 | C12 | C13 | 116.6° | 109.4° |
| C12 | C11 | N10 | 112.0° | 109.4° |
| C12 | C11 | H111 | 108.8° | 109.5° |
| C12 | C11 | H112 | 108.8° | 109.5° |
| C11 | C12 | H121 | 107.7° | 109.5° |
| C11 | C12 | H122 | 107.7° | 109.5° |
| C12 | C13 | N14 | 111.6° | 109.5° |
| C13 | C12 | H121 | 107.6° | 109.5° |
| C13 | C12 | H122 | 107.7° | 109.5° |
| C12 | C13 | H131 | 109.0° | 109.5° |
| C12 | C13 | H132 | 108.9° | 109.4° |
| C13 | N14 | C15 | 126.6° | 124.4° |
| C13 | N14 | C18 | 125.2° | 124.3° |
| N14 | C13 | H131 | 108.9° | 109.4° |
| N14 | C13 | H132 | 108.9° | 109.5° |
| N14 | C15 | C16 | 105.8° | 105.5° |
| C15 | N14 | C18 | 108.1° | 111.3° |
| N14 | C15 | H151 | 110.4° | 110.3° |
| N14 | C15 | H152 | 110.4° | 110.2° |
| C15 | C16 | C17 | 107.0° | 101.8° |
| C16 | C15 | H151 | 110.4° | 110.3° |
| C16 | C15 | H152 | 110.4° | 110.3° |
| C15 | C16 | H161 | 110.1° | 111.0° |
| C15 | C16 | H162 | 110.1° | 111.0° |
| C16 | C17 | C18 | 108.5° | 104.2° |
| C17 | C16 | H161 | 110.1° | 111.0° |
| C17 | C16 | H162 | 110.1° | 111.0° |
| C16 | C17 | H171 | 109.7° | 110.5° |
| C16 | C17 | H172 | 109.7° | 110.5° |
| C17 | C18 | O19 | 127.4° | 124.9° |
| C17 | C18 | N14 | 108.5° | 110.1° |
| C18 | C17 | H171 | 109.7° | 110.5° |
| C18 | C17 | H172 | 109.7° | 110.6° |
| O19 | C18 | N14 | 124.1° | 124.9° |
| C11 | N10 | C20 | 124.0° | 126.3° |
| N10 | C11 | H111 | 108.8° | 109.5° |
| N10 | C11 | H112 | 108.8° | 109.4° |
| N10 | C20 | N21 | 107.0° | 109.8° |
| N10 | C20 | C24 | 128.3° | 125.1° |
| N21 | C22 | C23 | 130.9° | 133.3° |
| C22 | N21 | C20 | 109.3° | 109.5° |
| N21 | C22 | C09 | 107.5° | 107.2° |
| C22 | C23 | C06 | 120.0° | 119.5° |
| C23 | C22 | C09 | 121.6° | 119.5° |
| C22 | C23 | H231 | 120.0° | 120.2° |
| N21 | C20 | C24 | 124.7° | 125.1° |
| C20 | C24 | C25 | 123.3° | 120.2° |
| C20 | C24 | C29 | 120.6° | 120.1° |
| C24 | C25 | C26 | 121.9° | 119.9° |
| C25 | C24 | C29 | 116.1° | 119.7° |
| C24 | C25 | H251 | 119.1° | 120.1° |
| C25 | C26 | C27 | 120.9° | 120.1° |
| C26 | C25 | H251 | 119.0° | 120.1° |
| C25 | C26 | H261 | 119.5° | 119.9° |
| C26 | C27 | C28 | 118.5° | 120.3° |
| C27 | C26 | H261 | 119.6° | 119.9° |
| C26 | C27 | H271 | 120.7° | 119.9° |
| C27 | C28 | C29 | 120.6° | 120.2° |
| C28 | C27 | H271 | 120.7° | 119.9° |
| C27 | C28 | H281 | 119.7° | 119.9° |
| C28 | C29 | C24 | 122.0° | 119.8° |
| C29 | C28 | H281 | 119.7° | 119.9° |
| C28 | C29 | H291 | 119.0° | 120.1° |
| C06 | C23 | H231 | 120.0° | 120.3° |
| C24 | C29 | H291 | 119.0° | 120.0° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.4° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H021 | C02 | H022 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.4° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 110.2° |
| H161 | C16 | H162 | 109.4° | 110.8° |
| H171 | C17 | H172 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | O03 | H021 | 120.7° | 120.0° |
| C01 | C02 | O03 | H022 | 120.7° | 119.9° |
| C01 | C02 | O03 | C04 | 119.6° | 180.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 119.9° |
| C01 | C02 | H021 | H022 | 117.7° | 120.0° |
| C02 | O03 | C04 | O05 | 13.8° | 0.0° |
| C02 | O03 | C04 | C06 | 163.6° | 179.9° |
| O03 | C02 | C01 | H011 | 180.0° | 179.9° |
| O03 | C02 | C01 | H012 | 60.0° | 60.0° |
| O03 | C02 | C01 | H013 | 60.0° | 60.0° |
| O03 | C02 | H021 | H022 | 117.7° | 120.0° |
| O03 | C04 | O05 | C06 | 177.7° | 179.9° |
| O03 | C04 | C06 | C07 | 36.0° | 0.3° |
| O03 | C04 | C06 | C23 | 143.4° | 180.0° |
| C04 | O03 | C02 | H021 | 119.7° | 60.0° |
| C04 | O03 | C02 | H022 | 1.2° | 60.0° |
| O05 | C04 | C06 | C07 | 146.8° | 179.6° |
| O05 | C04 | C06 | C23 | 33.8° | 0.1° |
| C04 | C06 | C07 | C23 | 179.4° | 179.7° |
| C04 | C06 | C07 | C08 | 179.4° | 179.9° |
| C04 | C06 | C23 | C22 | 179.2° | 179.7° |
| C04 | C06 | C07 | H071 | 0.6° | 0.1° |
| C04 | C06 | C23 | H231 | 0.8° | 0.0° |
| C06 | C07 | C08 | H071 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 0.1° | 0.1° |
| C07 | C06 | C23 | C22 | 0.2° | 0.6° |
| C06 | C07 | C08 | H081 | 179.9° | 180.0° |
| C07 | C06 | C23 | H231 | 179.8° | 179.7° |
| C07 | C08 | C09 | H081 | 180.0° | 179.9° |
| C07 | C08 | C09 | N10 | 179.3° | 180.0° |
| C08 | C07 | C06 | C23 | 0.1° | 0.4° |
| C07 | C08 | C09 | C22 | 0.1° | 0.1° |
| C08 | C09 | N10 | C22 | 179.4° | 179.9° |
| C08 | C09 | N10 | C11 | 1.1° | 0.1° |
| C08 | C09 | N10 | C20 | 179.6° | 179.9° |
| C08 | C09 | C22 | N21 | 180.0° | 179.9° |
| C08 | C09 | C22 | C23 | 0.3° | 0.3° |
| C09 | C08 | C07 | H071 | 179.9° | 180.0° |
| C09 | N10 | C11 | C12 | 92.2° | 84.8° |
| C09 | N10 | C11 | C20 | 178.4° | 179.9° |
| N10 | C09 | C22 | N21 | 0.5° | 0.0° |
| N10 | C09 | C22 | C23 | 179.7° | 179.8° |
| C09 | N10 | C20 | N21 | 1.1° | 0.0° |
| C09 | N10 | C20 | C24 | 178.6° | 180.0° |
| N10 | C09 | C08 | H081 | 0.6° | 0.1° |
| C09 | N10 | C11 | H111 | 28.3° | 155.2° |
| C09 | N10 | C11 | H112 | 147.5° | 35.2° |
| C11 | C12 | C13 | H121 | 121.0° | 120.0° |
| C11 | C12 | C13 | H122 | 121.0° | 120.0° |
| C11 | C12 | C13 | N14 | 135.6° | 180.0° |
| C12 | C11 | N10 | H111 | 120.4° | 120.0° |
| C12 | C11 | N10 | H112 | 120.4° | 120.0° |
| C12 | C11 | N10 | C20 | 86.2° | 95.3° |
| C12 | C11 | H111 | H112 | 118.8° | 120.1° |
| C11 | C12 | H121 | H122 | 116.8° | 120.0° |
| C11 | C12 | C13 | H131 | 104.2° | 60.0° |
| C11 | C12 | C13 | H132 | 15.3° | 60.0° |
| C12 | C13 | N14 | H131 | 120.3° | 120.0° |
| C12 | C13 | N14 | H132 | 120.3° | 120.0° |
| C12 | C13 | N14 | C15 | 67.9° | 90.1° |
| C13 | C12 | C11 | N10 | 48.3° | 180.0° |
| C12 | C13 | N14 | C18 | 110.6° | 90.0° |
| C13 | C12 | C11 | H111 | 168.7° | 60.0° |
| C13 | C12 | C11 | H112 | 72.1° | 60.0° |
| C13 | C12 | H121 | H122 | 116.8° | 120.0° |
| C12 | C13 | H131 | H132 | 119.1° | 120.0° |
| C13 | N14 | C15 | C18 | 178.8° | 180.0° |
| C13 | N14 | C15 | C16 | 171.0° | 163.0° |
| C13 | N14 | C18 | C17 | 179.5° | 179.6° |
| C13 | N14 | C18 | O19 | 0.7° | 0.4° |
| N14 | C13 | C12 | H121 | 14.5° | 60.0° |
| N14 | C13 | C12 | H122 | 103.4° | 60.0° |
| N14 | C13 | H131 | H132 | 119.0° | 120.1° |
| C13 | N14 | C15 | H151 | 51.6° | 43.9° |
| C13 | N14 | C15 | H152 | 69.6° | 78.0° |
| N14 | C15 | C16 | H151 | 119.4° | 119.1° |
| N14 | C15 | C16 | H152 | 119.4° | 119.0° |
| N14 | C15 | C16 | C17 | 13.5° | 25.4° |
| C15 | N14 | C18 | C17 | 0.7° | 0.4° |
| C15 | N14 | C18 | O19 | 179.5° | 179.6° |
| C15 | N14 | C13 | H131 | 52.4° | 29.9° |
| C15 | N14 | C13 | H132 | 171.8° | 150.0° |
| N14 | C15 | H151 | H152 | 121.8° | 121.9° |
| N14 | C15 | C16 | H161 | 106.1° | 143.5° |
| N14 | C15 | C16 | H162 | 133.1° | 92.8° |
| C15 | C16 | C17 | H161 | 119.7° | 118.2° |
| C15 | C16 | C17 | H162 | 119.6° | 118.1° |
| C15 | C16 | C17 | C18 | 14.2° | 24.8° |
| C16 | C15 | N14 | C18 | 7.7° | 17.0° |
| C16 | C15 | H151 | H152 | 121.7° | 122.1° |
| C15 | C16 | H161 | H162 | 121.1° | 123.8° |
| C15 | C16 | C17 | H171 | 134.0° | 93.9° |
| C15 | C16 | C17 | H172 | 105.7° | 143.6° |
| C16 | C17 | C18 | H171 | 119.8° | 118.7° |
| C16 | C17 | C18 | H172 | 119.8° | 118.7° |
| C16 | C17 | C18 | O19 | 170.7° | 163.8° |
| C16 | C17 | C18 | N14 | 9.5° | 16.2° |
| C17 | C16 | C15 | H151 | 133.0° | 144.4° |
| C17 | C16 | C15 | H152 | 105.9° | 93.6° |
| C17 | C16 | H161 | H162 | 121.1° | 123.8° |
| C16 | C17 | H171 | H172 | 120.5° | 122.5° |
| C17 | C18 | O19 | N14 | 179.8° | 180.0° |
| C18 | C17 | C16 | H161 | 105.5° | 142.9° |
| C18 | C17 | C16 | H162 | 133.8° | 93.4° |
| C18 | C17 | H171 | H172 | 120.5° | 122.7° |
| O19 | C18 | C17 | H171 | 50.8° | 77.6° |
| O19 | C18 | C17 | H172 | 69.5° | 45.0° |
| C11 | N10 | C20 | N21 | 179.7° | 180.0° |
| C11 | N10 | C20 | C24 | 2.8° | 0.1° |
| C11 | N10 | C09 | C22 | 179.6° | 180.0° |
| N10 | C11 | H111 | H112 | 118.8° | 119.9° |
| N10 | C11 | C12 | H121 | 169.3° | 60.0° |
| N10 | C11 | C12 | H122 | 72.8° | 60.0° |
| N10 | C20 | N21 | C22 | 0.7° | 0.0° |
| N10 | C20 | N21 | C24 | 177.6° | 180.0° |
| N10 | C20 | C24 | C25 | 141.9° | 158.4° |
| C20 | N10 | C09 | C22 | 1.0° | 0.0° |
| N10 | C20 | C24 | C29 | 41.3° | 21.9° |
| C20 | N10 | C11 | H111 | 153.4° | 24.7° |
| C20 | N10 | C11 | H112 | 34.2° | 144.7° |
| N21 | C22 | C23 | C09 | 179.7° | 179.7° |
| C22 | N21 | C20 | C24 | 178.4° | 180.0° |
| N21 | C22 | C23 | C06 | 180.0° | 179.8° |
| N21 | C22 | C23 | H231 | 0.0° | 0.1° |
| C23 | C22 | N21 | C20 | 179.6° | 179.7° |
| C22 | C23 | C06 | H231 | 180.0° | 179.7° |
| N21 | C20 | C24 | C25 | 40.9° | 21.7° |
| C20 | N21 | C22 | C09 | 0.1° | 0.0° |
| N21 | C20 | C24 | C29 | 135.8° | 158.1° |
| C20 | C24 | C25 | C29 | 176.9° | 179.7° |
| C20 | C24 | C25 | C26 | 178.1° | 180.0° |
| C20 | C24 | C29 | C28 | 178.3° | 179.8° |
| C20 | C24 | C25 | H251 | 1.9° | 0.1° |
| C20 | C24 | C29 | H291 | 1.7° | 0.1° |
| C24 | C25 | C26 | H251 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.4° | 0.1° |
| C25 | C24 | C29 | C28 | 1.3° | 0.5° |
| C24 | C25 | C26 | H261 | 179.6° | 180.0° |
| C25 | C24 | C29 | H291 | 178.7° | 179.7° |
| C25 | C26 | C27 | H261 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.5° | 0.0° |
| C26 | C25 | C24 | C29 | 1.2° | 0.3° |
| C25 | C26 | C27 | H271 | 179.5° | 179.9° |
| C26 | C27 | C28 | H271 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.4° | 0.3° |
| C27 | C26 | C25 | H251 | 179.6° | 180.0° |
| C26 | C27 | C28 | H281 | 179.6° | 180.0° |
| C27 | C28 | C29 | H281 | 180.0° | 179.8° |
| C27 | C28 | C29 | C24 | 0.5° | 0.5° |
| C28 | C27 | C26 | H261 | 179.5° | 180.0° |
| C27 | C28 | C29 | H291 | 179.5° | 179.7° |
| C28 | C29 | C24 | H291 | 180.0° | 179.8° |
| C29 | C28 | C27 | H271 | 179.6° | 179.7° |
| C06 | C23 | C22 | C09 | 0.3° | 0.5° |
| C23 | C06 | C07 | H071 | 179.9° | 179.8° |
| C22 | C09 | C08 | H081 | 179.9° | 180.0° |
| C09 | C22 | C23 | H231 | 179.7° | 179.8° |
| C18 | N14 | C13 | H131 | 129.0° | 150.0° |
| C18 | N14 | C13 | H132 | 9.7° | 30.0° |
| C18 | N14 | C15 | H151 | 127.1° | 136.0° |
| C18 | N14 | C15 | H152 | 111.7° | 102.1° |
| N14 | C18 | C17 | H171 | 129.4° | 102.4° |
| N14 | C18 | C17 | H172 | 110.3° | 135.0° |
| C29 | C24 | C25 | H251 | 178.8° | 179.8° |
| C24 | C29 | C28 | H281 | 179.5° | 179.8° |
| H011 | C01 | H012 | H013 | 119.9° | 120.0° |
| H011 | C01 | C02 | H021 | 59.3° | 60.0° |
| H011 | C01 | C02 | H022 | 59.3° | 60.0° |
| H012 | C01 | C02 | H021 | 60.8° | 60.1° |
| H012 | C01 | C02 | H022 | 179.3° | 179.9° |
| H013 | C01 | C02 | H021 | 179.2° | 180.0° |
| H013 | C01 | C02 | H022 | 60.7° | 60.0° |
| H071 | C07 | C08 | H081 | 0.1° | 0.1° |
| H111 | C11 | C12 | H121 | 70.3° | 60.0° |
| H111 | C11 | C12 | H122 | 47.6° | 180.0° |
| H112 | C11 | C12 | H121 | 48.9° | 180.0° |
| H112 | C11 | C12 | H122 | 166.8° | 60.0° |
| H121 | C12 | C13 | H131 | 134.8° | 180.0° |
| H121 | C12 | C13 | H132 | 105.8° | 60.0° |
| H122 | C12 | C13 | H131 | 16.9° | 60.0° |
| H122 | C12 | C13 | H132 | 136.3° | 180.0° |
| H151 | C15 | C16 | H161 | 13.3° | 97.4° |
| H151 | C15 | C16 | H162 | 107.4° | 26.3° |
| H152 | C15 | C16 | H161 | 134.5° | 24.6° |
| H152 | C15 | C16 | H162 | 13.7° | 148.3° |
| H161 | C16 | C17 | H171 | 14.4° | 24.3° |
| H161 | C16 | C17 | H172 | 134.7° | 98.2° |
| H162 | C16 | C17 | H171 | 106.4° | 147.9° |
| H162 | C16 | C17 | H172 | 13.9° | 25.5° |
| H251 | C25 | C26 | H261 | 0.3° | 0.1° |
| H261 | C26 | C27 | H271 | 0.5° | 0.0° |
| H271 | C27 | C28 | H281 | 0.4° | 0.0° |
| H281 | C28 | C29 | H291 | 0.5° | 0.1° |
