547
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | N2 | doub | 1.35Å | 1.36Å | Aromatic |
C1 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
C1 | H1 | sing | 1.09Å | 1.08Å | |
N2 | C3 | sing | 1.35Å | 1.39Å | Aromatic |
C3 | O9 | sing | 1.36Å | 1.36Å | Aromatic |
C3 | C4 | doub | 1.39Å | 1.42Å | Aromatic |
C4 | C11 | sing | 1.42Å | 1.39Å | Aromatic |
C4 | C5 | sing | 1.41Å | 1.47Å | Aromatic |
C5 | C6 | doub | 1.40Å | 1.44Å | Aromatic |
C5 | N34 | sing | 1.39Å | 1.38Å | |
C6 | H6 | sing | 1.09Å | 1.08Å | |
O9 | C10 | sing | 1.36Å | 1.38Å | Aromatic |
C10 | C23 | sing | 1.44Å | 1.50Å | Aromatic |
C10 | C11 | doub | 1.37Å | 1.52Å | Aromatic |
C11 | C12 | sing | 1.43Å | 1.48Å | Aromatic |
C12 | C13 | doub | 1.40Å | 1.44Å | Aromatic |
C12 | C17 | sing | 1.40Å | 1.45Å | Aromatic |
C13 | C14 | sing | 1.39Å | 1.43Å | Aromatic |
C13 | H13 | sing | 1.09Å | 1.08Å | |
C14 | C15 | doub | 1.40Å | 1.44Å | Aromatic |
C14 | H14 | sing | 1.09Å | 1.08Å | |
C15 | C16 | sing | 1.40Å | 1.45Å | Aromatic |
C15 | H15 | sing | 1.09Å | 1.08Å | |
C16 | C17 | doub | 1.39Å | 1.43Å | Aromatic |
C16 | H16 | sing | 1.09Å | 1.08Å | |
C17 | H17 | sing | 1.09Å | 1.08Å | |
C23 | C24 | sing | 1.40Å | 1.44Å | Aromatic |
C23 | C28 | doub | 1.40Å | 1.45Å | Aromatic |
C24 | C25 | doub | 1.39Å | 1.44Å | Aromatic |
C24 | H24 | sing | 1.09Å | 1.08Å | |
C25 | C26 | sing | 1.39Å | 1.45Å | Aromatic |
C25 | H25 | sing | 1.09Å | 1.08Å | |
C26 | C27 | doub | 1.39Å | 1.43Å | Aromatic |
C26 | H26 | sing | 1.09Å | 1.08Å | |
C27 | C28 | sing | 1.40Å | 1.42Å | Aromatic |
C27 | H27 | sing | 1.09Å | 1.08Å | |
C28 | H28 | sing | 1.09Å | 1.08Å | |
N34 | C35 | sing | 1.44Å | 1.46Å | |
N34 | HN34 | sing | 1.02Å | 1.00Å | |
C35 | C36 | sing | 1.52Å | 1.53Å | |
C35 | H351 | sing | 1.09Å | 1.10Å | |
C35 | H352 | sing | 1.10Å | 1.10Å | |
C36 | N39 | sing | 1.46Å | 1.48Å | |
C36 | H361 | sing | 1.09Å | 1.10Å | |
C36 | H362 | sing | 1.09Å | 1.10Å | |
N39 | C46 | sing | 1.47Å | 1.49Å | |
N39 | C42 | sing | 1.47Å | 1.49Å | |
C42 | C43 | sing | 1.53Å | 1.54Å | |
C42 | H421 | sing | 1.10Å | 1.10Å | |
C42 | H422 | sing | 1.10Å | 1.10Å | |
C43 | N44 | sing | 1.46Å | 1.49Å | |
C43 | H431 | sing | 1.10Å | 1.10Å | |
C43 | H432 | sing | 1.10Å | 1.10Å | |
N44 | C45 | sing | 1.46Å | 1.50Å | |
N44 | HN44 | sing | 1.02Å | 1.00Å | |
C45 | C46 | sing | 1.53Å | 1.54Å | |
C45 | H451 | sing | 1.10Å | 1.10Å | |
C45 | H452 | sing | 1.10Å | 1.10Å | |
C46 | H461 | sing | 1.10Å | 1.10Å | |
C46 | H462 | sing | 1.10Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N2 | C1 | C6 | 120.4° | 126.0° |
N2 | C1 | H1 | 119.8° | 114.4° |
C1 | N2 | C3 | 122.5° | 113.0° |
C6 | C1 | H1 | 119.8° | 119.7° |
C1 | C6 | C5 | 119.5° | 119.5° |
C1 | C6 | H6 | 120.2° | 120.1° |
N2 | C3 | O9 | 127.0° | 123.3° |
N2 | C3 | C4 | 121.1° | 126.9° |
O9 | C3 | C4 | 111.9° | 109.8° |
C3 | O9 | C10 | 105.8° | 107.0° |
C3 | C4 | C11 | 109.4° | 106.1° |
C3 | C4 | C5 | 117.8° | 118.3° |
C11 | C4 | C5 | 132.8° | 135.7° |
C4 | C11 | C10 | 102.1° | 106.3° |
C4 | C11 | C12 | 126.5° | 130.3° |
C4 | C5 | C6 | 118.8° | 116.4° |
C4 | C5 | N34 | 119.8° | 123.3° |
C6 | C5 | N34 | 121.4° | 120.3° |
C5 | C6 | H6 | 120.3° | 120.5° |
C5 | N34 | C35 | 123.1° | 123.9° |
C5 | N34 | HN34 | 105.1° | 117.7° |
O9 | C10 | C23 | 121.3° | 114.6° |
O9 | C10 | C11 | 110.8° | 110.8° |
C23 | C10 | C11 | 127.9° | 134.6° |
C10 | C23 | C24 | 118.3° | 120.2° |
C10 | C23 | C28 | 122.5° | 120.2° |
C10 | C11 | C12 | 131.5° | 123.4° |
C11 | C12 | C13 | 120.3° | 120.0° |
C11 | C12 | C17 | 118.8° | 120.1° |
C13 | C12 | C17 | 120.9° | 119.9° |
C12 | C13 | C14 | 119.5° | 120.0° |
C12 | C13 | H13 | 120.3° | 120.8° |
C12 | C17 | C16 | 119.8° | 120.0° |
C12 | C17 | H17 | 120.1° | 120.8° |
C14 | C13 | H13 | 120.2° | 119.1° |
C13 | C14 | C15 | 119.7° | 120.0° |
C13 | C14 | H14 | 120.1° | 120.0° |
C15 | C14 | H14 | 120.1° | 120.0° |
C14 | C15 | C16 | 120.9° | 119.9° |
C14 | C15 | H15 | 119.6° | 120.0° |
C16 | C15 | H15 | 119.5° | 120.1° |
C15 | C16 | C17 | 119.2° | 120.1° |
C15 | C16 | H16 | 120.4° | 119.9° |
C17 | C16 | H16 | 120.4° | 120.0° |
C16 | C17 | H17 | 120.1° | 119.1° |
C24 | C23 | C28 | 119.2° | 119.6° |
C23 | C24 | C25 | 119.7° | 120.2° |
C23 | C24 | H24 | 120.2° | 120.7° |
C23 | C28 | C27 | 121.4° | 120.2° |
C23 | C28 | H28 | 119.3° | 120.8° |
C25 | C24 | H24 | 120.2° | 119.1° |
C24 | C25 | C26 | 120.1° | 120.0° |
C24 | C25 | H25 | 120.0° | 120.0° |
C26 | C25 | H25 | 120.0° | 120.1° |
C25 | C26 | C27 | 120.7° | 120.1° |
C25 | C26 | H26 | 119.6° | 120.0° |
C27 | C26 | H26 | 119.7° | 119.9° |
C26 | C27 | C28 | 118.9° | 120.0° |
C26 | C27 | H27 | 120.5° | 120.0° |
C28 | C27 | H27 | 120.5° | 120.0° |
C27 | C28 | H28 | 119.3° | 119.1° |
C35 | N34 | HN34 | 105.2° | 118.4° |
N34 | C35 | C36 | 112.8° | 112.0° |
N34 | C35 | H351 | 108.4° | 107.1° |
N34 | C35 | H352 | 107.7° | 107.5° |
C36 | C35 | H351 | 108.4° | 110.3° |
C36 | C35 | H352 | 107.6° | 111.4° |
C35 | C36 | N39 | 115.2° | 112.2° |
C35 | C36 | H361 | 107.6° | 111.5° |
C35 | C36 | H362 | 106.3° | 110.1° |
H351 | C35 | H352 | 112.1° | 108.5° |
N39 | C36 | H361 | 107.6° | 107.4° |
N39 | C36 | H362 | 106.3° | 107.0° |
C36 | N39 | C46 | 110.7° | 110.8° |
C36 | N39 | C42 | 105.9° | 110.9° |
H361 | C36 | H362 | 114.1° | 108.6° |
C46 | N39 | C42 | 110.3° | 110.6° |
N39 | C46 | C45 | 109.0° | 110.8° |
N39 | C46 | H461 | 109.7° | 109.6° |
N39 | C46 | H462 | 109.7° | 110.7° |
N39 | C42 | C43 | 110.2° | 110.7° |
N39 | C42 | H421 | 109.2° | 110.6° |
N39 | C42 | H422 | 109.1° | 109.6° |
C43 | C42 | H421 | 109.2° | 109.8° |
C43 | C42 | H422 | 109.1° | 108.6° |
C42 | C43 | N44 | 109.1° | 111.8° |
C42 | C43 | H431 | 109.6° | 110.3° |
C42 | C43 | H432 | 109.7° | 109.2° |
H421 | C42 | H422 | 110.0° | 107.4° |
N44 | C43 | H431 | 109.6° | 109.9° |
N44 | C43 | H432 | 109.7° | 108.7° |
C43 | N44 | C45 | 111.8° | 110.0° |
C43 | N44 | HN44 | 108.7° | 109.6° |
H431 | C43 | H432 | 109.2° | 106.9° |
C45 | N44 | HN44 | 108.7° | 109.5° |
N44 | C45 | C46 | 108.4° | 111.7° |
N44 | C45 | H451 | 109.8° | 108.8° |
N44 | C45 | H452 | 110.0° | 109.9° |
C46 | C45 | H451 | 109.8° | 109.1° |
C46 | C45 | H452 | 110.1° | 110.2° |
C45 | C46 | H461 | 109.6° | 108.6° |
C45 | C46 | H462 | 109.8° | 109.7° |
H451 | C45 | H452 | 108.7° | 106.9° |
H461 | C46 | H462 | 109.0° | 107.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N2 | C1 | C6 | H1 | 180.0° | 180.0° |
C1 | N2 | C3 | O9 | 180.0° | 180.0° |
C1 | N2 | C3 | C4 | 0.8° | 0.0° |
N2 | C1 | C6 | C5 | 1.0° | 0.0° |
N2 | C1 | C6 | H6 | 179.0° | 179.9° |
C6 | C1 | N2 | C3 | 1.2° | 0.0° |
C1 | C6 | C5 | C4 | 0.6° | 0.1° |
C1 | C6 | C5 | H6 | 180.0° | 179.9° |
C1 | C6 | C5 | N34 | 180.0° | 180.0° |
H1 | C1 | N2 | C3 | 178.8° | 180.0° |
H1 | C1 | C6 | C5 | 179.0° | 179.9° |
H1 | C1 | C6 | H6 | 1.0° | 0.0° |
N2 | C3 | O9 | C4 | 179.2° | 180.0° |
N2 | C3 | C4 | C11 | 179.9° | 180.0° |
N2 | C3 | C4 | C5 | 0.3° | 0.0° |
N2 | C3 | O9 | C10 | 179.9° | 180.0° |
O9 | C3 | C4 | C11 | 0.6° | 0.0° |
O9 | C3 | C4 | C5 | 179.6° | 180.0° |
C3 | O9 | C10 | C23 | 179.7° | 179.9° |
C3 | O9 | C10 | C11 | 0.5° | 0.0° |
C3 | C4 | C11 | C5 | 179.7° | 179.9° |
C3 | C4 | C5 | C6 | 0.2° | 0.1° |
C3 | C4 | C5 | N34 | 179.7° | 179.9° |
C4 | C3 | O9 | C10 | 0.7° | 0.0° |
C3 | C4 | C11 | C10 | 0.3° | 0.0° |
C3 | C4 | C11 | C12 | 179.6° | 179.9° |
C11 | C4 | C5 | C6 | 179.9° | 180.0° |
C11 | C4 | C5 | N34 | 0.6° | 0.1° |
C4 | C11 | C10 | O9 | 0.1° | 0.0° |
C4 | C11 | C10 | C23 | 179.9° | 179.9° |
C4 | C11 | C10 | C12 | 179.9° | 179.9° |
C4 | C11 | C12 | C13 | 108.4° | 90.0° |
C4 | C11 | C12 | C17 | 72.4° | 89.9° |
C4 | C5 | C6 | N34 | 179.4° | 179.9° |
C4 | C5 | C6 | H6 | 179.4° | 180.0° |
C5 | C4 | C11 | C10 | 180.0° | 180.0° |
C5 | C4 | C11 | C12 | 0.1° | 0.2° |
C4 | C5 | N34 | C35 | 179.8° | 179.9° |
C4 | C5 | N34 | HN34 | 60.2° | 0.2° |
C6 | C5 | N34 | C35 | 0.8° | 0.1° |
C6 | C5 | N34 | HN34 | 119.2° | 179.9° |
N34 | C5 | C6 | H6 | 0.0° | 0.1° |
C5 | N34 | C35 | HN34 | 120.0° | 179.8° |
C5 | N34 | C35 | C36 | 179.7° | 179.0° |
C5 | N34 | C35 | H351 | 60.3° | 60.0° |
C5 | N34 | C35 | H352 | 61.1° | 56.4° |
O9 | C10 | C23 | C11 | 179.7° | 179.9° |
O9 | C10 | C11 | C12 | 180.0° | 179.9° |
O9 | C10 | C23 | C24 | 13.2° | 89.9° |
O9 | C10 | C23 | C28 | 167.6° | 90.1° |
C23 | C10 | C11 | C12 | 0.3° | 0.0° |
C10 | C23 | C24 | C28 | 179.3° | 180.0° |
C10 | C23 | C24 | C25 | 179.4° | 180.0° |
C10 | C23 | C24 | H24 | 0.6° | 0.1° |
C10 | C23 | C28 | C27 | 179.2° | 180.0° |
C10 | C23 | C28 | H28 | 0.8° | 0.0° |
C10 | C11 | C12 | C13 | 71.4° | 89.9° |
C10 | C11 | C12 | C17 | 107.8° | 90.2° |
C11 | C10 | C23 | C24 | 167.1° | 90.0° |
C11 | C10 | C23 | C28 | 12.2° | 90.0° |
C11 | C12 | C13 | C17 | 179.2° | 179.9° |
C11 | C12 | C13 | C14 | 179.2° | 179.9° |
C11 | C12 | C13 | H13 | 0.8° | 0.1° |
C11 | C12 | C17 | C16 | 179.3° | 179.9° |
C11 | C12 | C17 | H17 | 0.7° | 0.1° |
C12 | C13 | C14 | H13 | 180.0° | 180.0° |
C12 | C13 | C14 | C15 | 0.1° | 0.1° |
C12 | C13 | C14 | H14 | 179.9° | 180.0° |
C13 | C12 | C17 | C16 | 0.1° | 0.0° |
C13 | C12 | C17 | H17 | 179.9° | 180.0° |
C17 | C12 | C13 | C14 | 0.0° | 0.0° |
C17 | C12 | C13 | H13 | 180.0° | 180.0° |
C12 | C17 | C16 | C15 | 0.2° | 0.0° |
C12 | C17 | C16 | H17 | 180.0° | 180.0° |
C12 | C17 | C16 | H16 | 179.8° | 179.9° |
C13 | C14 | C15 | H14 | 180.0° | 180.0° |
C13 | C14 | C15 | C16 | 0.3° | 0.1° |
C13 | C14 | C15 | H15 | 179.7° | 180.0° |
H13 | C13 | C14 | C15 | 179.9° | 180.0° |
H13 | C13 | C14 | H14 | 0.1° | 0.0° |
C14 | C15 | C16 | H15 | 180.0° | 180.0° |
C14 | C15 | C16 | C17 | 0.3° | 0.1° |
C14 | C15 | C16 | H16 | 179.7° | 180.0° |
H14 | C14 | C15 | C16 | 179.7° | 179.9° |
H14 | C14 | C15 | H15 | 0.3° | 0.0° |
C15 | C16 | C17 | H16 | 180.0° | 179.9° |
C15 | C16 | C17 | H17 | 179.8° | 179.9° |
H15 | C15 | C16 | C17 | 179.7° | 180.0° |
H15 | C15 | C16 | H16 | 0.3° | 0.1° |
H16 | C16 | C17 | H17 | 0.2° | 0.0° |
C23 | C24 | C25 | H24 | 180.0° | 179.9° |
C23 | C24 | C25 | C26 | 0.4° | 0.0° |
C23 | C24 | C25 | H25 | 179.6° | 179.9° |
C24 | C23 | C28 | C27 | 0.0° | 0.0° |
C24 | C23 | C28 | H28 | 180.0° | 180.0° |
C28 | C23 | C24 | C25 | 0.1° | 0.0° |
C28 | C23 | C24 | H24 | 179.9° | 180.0° |
C23 | C28 | C27 | C26 | 0.1° | 0.0° |
C23 | C28 | C27 | H28 | 180.0° | 180.0° |
C23 | C28 | C27 | H27 | 179.9° | 180.0° |
C24 | C25 | C26 | H25 | 180.0° | 179.9° |
C24 | C25 | C26 | C27 | 0.5° | 0.0° |
C24 | C25 | C26 | H26 | 179.5° | 180.0° |
H24 | C24 | C25 | C26 | 179.6° | 180.0° |
H24 | C24 | C25 | H25 | 0.4° | 0.0° |
C25 | C26 | C27 | H26 | 180.0° | 180.0° |
C25 | C26 | C27 | C28 | 0.4° | 0.0° |
C25 | C26 | C27 | H27 | 179.7° | 179.9° |
H25 | C25 | C26 | C27 | 179.5° | 179.9° |
H25 | C25 | C26 | H26 | 0.5° | 0.1° |
C26 | C27 | C28 | H27 | 180.0° | 179.9° |
C26 | C27 | C28 | H28 | 179.9° | 180.0° |
H26 | C26 | C27 | C28 | 179.6° | 180.0° |
H26 | C26 | C27 | H27 | 0.3° | 0.0° |
H27 | C27 | C28 | H28 | 0.0° | 0.0° |
N34 | C35 | C36 | H351 | 120.0° | 119.1° |
N34 | C35 | C36 | H352 | 118.6° | 120.4° |
N34 | C35 | H351 | H352 | 118.7° | 115.7° |
N34 | C35 | C36 | N39 | 46.0° | 179.1° |
N34 | C35 | C36 | H361 | 166.0° | 60.5° |
N34 | C35 | C36 | H362 | 71.5° | 60.1° |
HN34 | N34 | C35 | C36 | 59.7° | 0.9° |
HN34 | N34 | C35 | H351 | 179.7° | 120.1° |
HN34 | N34 | C35 | H352 | 58.8° | 123.5° |
C36 | C35 | H351 | H352 | 118.7° | 122.2° |
C35 | C36 | N39 | H361 | 120.0° | 122.8° |
C35 | C36 | N39 | H362 | 117.4° | 120.8° |
C35 | C36 | H361 | H362 | 117.6° | 121.4° |
C35 | C36 | N39 | C46 | 80.4° | 59.6° |
C35 | C36 | N39 | C42 | 160.0° | 177.3° |
H351 | C35 | C36 | N39 | 74.0° | 60.0° |
H351 | C35 | C36 | H361 | 46.0° | 179.6° |
H351 | C35 | C36 | H362 | 168.5° | 59.1° |
H352 | C35 | C36 | N39 | 164.6° | 60.5° |
H352 | C35 | C36 | H361 | 75.4° | 59.9° |
H352 | C35 | C36 | H362 | 47.1° | 179.6° |
N39 | C36 | H361 | H362 | 117.7° | 115.4° |
C36 | N39 | C46 | C42 | 116.9° | 123.3° |
C36 | N39 | C42 | C43 | 179.7° | 179.6° |
C36 | N39 | C42 | H421 | 59.7° | 57.6° |
C36 | N39 | C42 | H422 | 60.6° | 60.6° |
C36 | N39 | C46 | C45 | 178.1° | 179.6° |
C36 | N39 | C46 | H461 | 58.1° | 60.7° |
C36 | N39 | C46 | H462 | 61.7° | 57.6° |
H361 | C36 | N39 | C46 | 39.5° | 63.2° |
H361 | C36 | N39 | C42 | 80.0° | 60.0° |
H362 | C36 | N39 | C46 | 162.1° | 179.6° |
H362 | C36 | N39 | C42 | 42.6° | 56.4° |
C46 | N39 | C42 | C43 | 59.9° | 56.3° |
C46 | N39 | C42 | H421 | 60.1° | 65.7° |
C46 | N39 | C42 | H422 | 179.6° | 176.1° |
N39 | C46 | C45 | N44 | 59.9° | 56.6° |
N39 | C46 | C45 | H461 | 120.0° | 120.4° |
N39 | C46 | C45 | H462 | 120.2° | 122.5° |
N39 | C46 | C45 | H451 | 60.1° | 176.9° |
N39 | C46 | C45 | H452 | 179.7° | 65.9° |
N39 | C46 | H461 | H462 | 120.2° | 120.3° |
N39 | C42 | C43 | H421 | 120.0° | 122.5° |
N39 | C42 | C43 | H422 | 119.7° | 120.4° |
N39 | C42 | H421 | H422 | 119.7° | 119.5° |
N39 | C42 | C43 | N44 | 56.9° | 56.6° |
N39 | C42 | C43 | H431 | 63.1° | 65.9° |
N39 | C42 | C43 | H432 | 177.1° | 176.9° |
C42 | N39 | C46 | C45 | 61.2° | 56.2° |
C42 | N39 | C46 | H461 | 58.8° | 176.0° |
C42 | N39 | C46 | H462 | 178.5° | 65.7° |
C43 | C42 | H421 | H422 | 119.7° | 117.9° |
C42 | C43 | N44 | H431 | 120.0° | 122.8° |
C42 | C43 | N44 | H432 | 120.1° | 120.5° |
C42 | C43 | H431 | H432 | 120.2° | 118.6° |
C42 | C43 | N44 | C45 | 57.7° | 55.9° |
C42 | C43 | N44 | HN44 | 177.8° | 176.4° |
H421 | C42 | C43 | N44 | 63.1° | 65.8° |
H421 | C42 | C43 | H431 | 177.0° | 171.6° |
H421 | C42 | C43 | H432 | 57.1° | 54.4° |
H422 | C42 | C43 | N44 | 176.6° | 177.0° |
H422 | C42 | C43 | H431 | 56.7° | 54.5° |
H422 | C42 | C43 | H432 | 63.2° | 62.7° |
N44 | C43 | H431 | H432 | 120.1° | 117.8° |
C43 | N44 | C45 | HN44 | 120.0° | 120.5° |
C43 | N44 | C45 | C46 | 59.4° | 55.9° |
C43 | N44 | C45 | H451 | 60.6° | 176.4° |
C43 | N44 | C45 | H452 | 179.8° | 66.8° |
H431 | C43 | N44 | C45 | 62.3° | 66.9° |
H431 | C43 | N44 | HN44 | 57.7° | 53.6° |
H432 | C43 | N44 | C45 | 177.9° | 176.5° |
H432 | C43 | N44 | HN44 | 62.1° | 63.0° |
N44 | C45 | C46 | H451 | 120.0° | 120.3° |
N44 | C45 | C46 | H452 | 120.4° | 122.5° |
N44 | C45 | H451 | H452 | 120.4° | 118.6° |
N44 | C45 | C46 | H461 | 60.2° | 177.0° |
N44 | C45 | C46 | H462 | 179.9° | 66.0° |
HN44 | N44 | C45 | C46 | 179.4° | 176.4° |
HN44 | N44 | C45 | H451 | 59.4° | 63.1° |
HN44 | N44 | C45 | H452 | 60.2° | 53.7° |
C46 | C45 | H451 | H452 | 120.4° | 119.2° |
C45 | C46 | H461 | H462 | 120.2° | 118.6° |
H451 | C45 | C46 | H461 | 179.9° | 62.7° |
H451 | C45 | C46 | H462 | 60.1° | 54.4° |
H452 | C45 | C46 | H461 | 60.3° | 54.4° |
H452 | C45 | C46 | H462 | 59.5° | 171.5° |