OYA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C14 | C5 | sing | 1.53Å | 1.53Å | |
C14 | H141 | sing | 1.09Å | 1.10Å | |
C14 | H142 | sing | 1.09Å | 1.10Å | |
C14 | H143 | sing | 1.09Å | 1.10Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C5 | H51 | sing | 1.09Å | 1.10Å | |
C5 | H52 | sing | 1.09Å | 1.10Å | |
C6 | C11 | sing | 1.53Å | 1.53Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
C11 | C7 | sing | 1.53Å | 1.53Å | |
C11 | H111 | sing | 1.09Å | 1.10Å | |
C11 | H112 | sing | 1.09Å | 1.10Å | |
C7 | C8 | sing | 1.53Å | 1.53Å | |
C7 | H71 | sing | 1.09Å | 1.10Å | |
C7 | H72 | sing | 1.09Å | 1.10Å | |
C8 | C9 | sing | 1.53Å | 1.53Å | |
C8 | H81 | sing | 1.09Å | 1.10Å | |
C8 | H82 | sing | 1.09Å | 1.10Å | |
C9 | C10 | sing | 1.51Å | 1.53Å | |
C9 | H91 | sing | 1.09Å | 1.10Å | |
C9 | H92 | sing | 1.09Å | 1.10Å | |
C10 | OAB | doub | 1.21Å | 1.23Å | |
C10 | H10 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C5 | C14 | H141 | 109.5° | 109.5° |
C5 | C14 | H142 | 109.5° | 109.5° |
C5 | C14 | H143 | 109.4° | 109.5° |
C14 | C5 | C6 | 110.9° | 109.5° |
C14 | C5 | H51 | 109.0° | 109.5° |
C14 | C5 | H52 | 108.7° | 109.5° |
H141 | C14 | H142 | 109.5° | 109.5° |
H141 | C14 | H143 | 109.5° | 109.5° |
H142 | C14 | H143 | 109.5° | 109.4° |
C6 | C5 | H51 | 109.0° | 109.4° |
C6 | C5 | H52 | 108.7° | 109.5° |
C5 | C6 | C11 | 111.2° | 109.5° |
C5 | C6 | H61 | 108.9° | 109.5° |
C5 | C6 | H62 | 108.5° | 109.5° |
H51 | C5 | H52 | 110.6° | 109.5° |
C11 | C6 | H61 | 108.9° | 109.5° |
C11 | C6 | H62 | 108.5° | 109.4° |
C6 | C11 | C7 | 111.0° | 109.5° |
C6 | C11 | H111 | 109.0° | 109.4° |
C6 | C11 | H112 | 108.6° | 109.4° |
H61 | C6 | H62 | 110.8° | 109.4° |
C7 | C11 | H111 | 109.0° | 109.5° |
C7 | C11 | H112 | 108.6° | 109.5° |
C11 | C7 | C8 | 111.2° | 109.5° |
C11 | C7 | H71 | 108.9° | 109.5° |
C11 | C7 | H72 | 108.5° | 109.5° |
H111 | C11 | H112 | 110.7° | 109.5° |
C8 | C7 | H71 | 108.9° | 109.5° |
C8 | C7 | H72 | 108.5° | 109.5° |
C7 | C8 | C9 | 111.0° | 109.5° |
C7 | C8 | H81 | 109.0° | 109.5° |
C7 | C8 | H82 | 108.7° | 109.5° |
H71 | C7 | H72 | 110.8° | 109.4° |
C9 | C8 | H81 | 109.0° | 109.5° |
C9 | C8 | H82 | 108.6° | 109.4° |
C8 | C9 | C10 | 111.2° | 109.5° |
C8 | C9 | H91 | 108.9° | 109.5° |
C8 | C9 | H92 | 108.5° | 109.4° |
H81 | C8 | H82 | 110.6° | 109.4° |
C10 | C9 | H91 | 108.9° | 109.5° |
C10 | C9 | H92 | 108.5° | 109.5° |
C9 | C10 | OAB | 121.3° | 120.0° |
C9 | C10 | H10 | 119.3° | 120.0° |
H91 | C9 | H92 | 110.9° | 109.5° |
OAB | C10 | H10 | 119.4° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C5 | C14 | H141 | H142 | 120.0° | 120.1° |
C5 | C14 | H141 | H143 | 120.0° | 120.0° |
C5 | C14 | H142 | H143 | 120.0° | 120.0° |
C14 | C5 | C6 | H51 | 120.0° | 120.0° |
C14 | C5 | C6 | H52 | 119.4° | 120.0° |
C14 | C5 | H51 | H52 | 119.4° | 120.0° |
C14 | C5 | C6 | C11 | 151.0° | 180.0° |
C14 | C5 | C6 | H61 | 31.0° | 60.0° |
C14 | C5 | C6 | H62 | 89.7° | 60.0° |
H141 | C14 | H142 | H143 | 120.0° | 120.0° |
H141 | C14 | C5 | C6 | 146.7° | 180.0° |
H141 | C14 | C5 | H51 | 26.7° | 60.1° |
H141 | C14 | C5 | H52 | 93.9° | 60.0° |
H142 | C14 | C5 | C6 | 26.7° | 60.0° |
H142 | C14 | C5 | H51 | 93.3° | 60.0° |
H142 | C14 | C5 | H52 | 146.1° | 180.0° |
H143 | C14 | C5 | C6 | 93.3° | 60.0° |
H143 | C14 | C5 | H51 | 146.7° | 180.0° |
H143 | C14 | C5 | H52 | 26.1° | 60.0° |
C6 | C5 | H51 | H52 | 119.4° | 120.0° |
C5 | C6 | C11 | H61 | 120.0° | 120.0° |
C5 | C6 | C11 | H62 | 119.3° | 120.0° |
C5 | C6 | H61 | H62 | 119.3° | 120.0° |
C5 | C6 | C11 | C7 | 157.8° | 180.0° |
C5 | C6 | C11 | H111 | 82.2° | 60.0° |
C5 | C6 | C11 | H112 | 38.5° | 60.0° |
H51 | C5 | C6 | C11 | 89.0° | 60.0° |
H51 | C5 | C6 | H61 | 150.9° | 180.0° |
H51 | C5 | C6 | H62 | 30.2° | 60.0° |
H52 | C5 | C6 | C11 | 31.6° | 60.0° |
H52 | C5 | C6 | H61 | 88.4° | 60.0° |
H52 | C5 | C6 | H62 | 150.9° | 180.0° |
C11 | C6 | H61 | H62 | 119.3° | 120.0° |
C6 | C11 | C7 | H111 | 120.0° | 120.0° |
C6 | C11 | C7 | H112 | 119.3° | 120.0° |
C6 | C11 | H111 | H112 | 119.3° | 119.9° |
C6 | C11 | C7 | C8 | 105.6° | 180.0° |
C6 | C11 | C7 | H71 | 134.4° | 60.0° |
C6 | C11 | C7 | H72 | 13.7° | 60.0° |
H61 | C6 | C11 | C7 | 37.8° | 60.0° |
H61 | C6 | C11 | H111 | 157.8° | 180.0° |
H61 | C6 | C11 | H112 | 81.5° | 60.0° |
H62 | C6 | C11 | C7 | 82.9° | 60.0° |
H62 | C6 | C11 | H111 | 37.1° | 60.1° |
H62 | C6 | C11 | H112 | 157.8° | 180.0° |
C7 | C11 | H111 | H112 | 119.4° | 120.0° |
C11 | C7 | C8 | H71 | 120.0° | 120.0° |
C11 | C7 | C8 | H72 | 119.3° | 120.0° |
C11 | C7 | H71 | H72 | 119.3° | 120.0° |
C11 | C7 | C8 | C9 | 139.8° | 180.0° |
C11 | C7 | C8 | H81 | 100.2° | 60.0° |
C11 | C7 | C8 | H82 | 20.4° | 60.0° |
H111 | C11 | C7 | C8 | 14.4° | 60.0° |
H111 | C11 | C7 | H71 | 105.6° | 180.0° |
H111 | C11 | C7 | H72 | 133.7° | 60.0° |
H112 | C11 | C7 | C8 | 135.1° | 60.0° |
H112 | C11 | C7 | H71 | 15.1° | 60.0° |
H112 | C11 | C7 | H72 | 105.6° | 180.0° |
C8 | C7 | H71 | H72 | 119.3° | 120.0° |
C7 | C8 | C9 | H81 | 120.0° | 120.0° |
C7 | C8 | C9 | H82 | 119.4° | 120.0° |
C7 | C8 | H81 | H82 | 119.4° | 120.0° |
C7 | C8 | C9 | C10 | 101.4° | 180.0° |
C7 | C8 | C9 | H91 | 18.6° | 60.0° |
C7 | C8 | C9 | H92 | 139.3° | 60.0° |
H71 | C7 | C8 | C9 | 19.8° | 60.0° |
H71 | C7 | C8 | H81 | 139.8° | 180.0° |
H71 | C7 | C8 | H82 | 99.6° | 60.0° |
H72 | C7 | C8 | C9 | 100.9° | 60.0° |
H72 | C7 | C8 | H81 | 19.1° | 60.0° |
H72 | C7 | C8 | H82 | 139.7° | 180.0° |
C9 | C8 | H81 | H82 | 119.4° | 119.9° |
C8 | C9 | C10 | H91 | 120.0° | 120.0° |
C8 | C9 | C10 | H92 | 119.3° | 119.9° |
C8 | C9 | H91 | H92 | 119.3° | 119.9° |
C8 | C9 | C10 | OAB | 75.7° | 125.0° |
C8 | C9 | C10 | H10 | 104.3° | 55.0° |
H81 | C8 | C9 | C10 | 138.6° | 60.0° |
H81 | C8 | C9 | H91 | 101.4° | NaN° |
H81 | C8 | C9 | H92 | 19.3° | 60.0° |
H82 | C8 | C9 | C10 | 18.0° | 60.0° |
H82 | C8 | C9 | H91 | 138.0° | 60.1° |
H82 | C8 | C9 | H92 | 101.3° | 180.0° |
C10 | C9 | H91 | H92 | 119.3° | 120.0° |
C9 | C10 | OAB | H10 | 180.0° | 180.0° |
H91 | C9 | C10 | OAB | 44.3° | 5.0° |
H91 | C9 | C10 | H10 | 135.7° | 175.0° |
H92 | C9 | C10 | OAB | 165.1° | 115.1° |
H92 | C9 | C10 | H10 | 15.0° | 65.0° |