A1H4B
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3' | C3' | sing | 1.43Å | 1.42Å | |
C3' | C2' | sing | 1.54Å | 1.54Å | |
C3' | C4' | sing | 1.54Å | 1.55Å | |
C4' | C5' | sing | 1.53Å | 1.53Å | |
O4' | C4' | sing | 1.44Å | 1.43Å | |
C5' | S1 | sing | 1.81Å | 1.81Å | |
S1 | C12 | sing | 1.81Å | 1.83Å | |
C12 | C7 | sing | 1.51Å | 1.52Å | |
C7 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
C7 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
C19 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
C9 | C10 | sing | 1.48Å | 1.51Å | |
C13 | C9 | sing | 1.39Å | 1.41Å | Aromatic |
O11 | C10 | sing | 1.35Å | 1.26Å | |
C10 | O12 | doub | 1.21Å | 1.26Å | |
C14 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
C15 | C14 | sing | 1.48Å | 1.49Å | |
C21 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
C20 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
C15 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
C18 | N19 | doub | 1.32Å | 1.36Å | Aromatic |
N19 | C20 | sing | 1.32Å | 1.36Å | Aromatic |
C1' | O4' | sing | 1.44Å | 1.39Å | |
N9 | C1' | sing | 1.46Å | 1.51Å | |
C2' | C1' | sing | 1.55Å | 1.53Å | |
C8 | N9 | sing | 1.36Å | 1.35Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
C4 | N3 | sing | 1.33Å | 1.36Å | Aromatic |
C4 | C5 | doub | 1.41Å | 1.39Å | Aromatic |
N3 | C2 | doub | 1.32Å | 1.35Å | Aromatic |
C2 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
N1 | C6 | doub | 1.33Å | 1.37Å | Aromatic |
C6 | C5 | sing | 1.41Å | 1.42Å | Aromatic |
N6 | C6 | sing | 1.38Å | 1.40Å | |
C5 | N7 | sing | 1.35Å | 1.35Å | Aromatic |
N7 | C8 | doub | 1.30Å | 1.32Å | Aromatic |
O2' | C2' | sing | 1.43Å | 1.42Å | |
C13 | H46 | sing | 1.08Å | 1.08Å | |
C16 | H47 | sing | 1.08Å | 1.08Å | |
C17 | H48 | sing | 1.08Å | 1.08Å | |
C18 | H49 | sing | 1.08Å | 1.08Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
C20 | H50 | sing | 1.08Å | 1.08Å | |
C21 | H51 | sing | 1.08Å | 1.08Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
C5' | H5'2 | sing | 1.09Å | 1.10Å | |
C5' | H5'1 | sing | 1.09Å | 1.10Å | |
C12 | H44 | sing | 1.09Å | 1.10Å | |
C12 | H43 | sing | 1.09Å | 1.10Å | |
C19 | H45 | sing | 1.08Å | 1.08Å | |
N6 | HN61 | sing | 0.97Å | 1.00Å | |
N6 | HN62 | sing | 0.97Å | 1.00Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
O11 | H1 | sing | 0.97Å | 0.95Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3' | C3' | C2' | 114.1° | 110.5° |
O3' | C3' | C4' | 110.9° | 110.5° |
O3' | C3' | H3' | 109.8° | 110.5° |
C3' | O3' | HO3' | 109.5° | 114.0° |
C2' | C3' | C4' | 105.5° | 104.1° |
C3' | C2' | C1' | 101.2° | 104.0° |
C3' | C2' | O2' | 117.2° | 110.5° |
C2' | C3' | H3' | 108.2° | 110.5° |
C3' | C2' | H2' | 108.8° | 110.5° |
C3' | C4' | C5' | 116.0° | 110.4° |
C3' | C4' | O4' | 104.8° | 104.7° |
C4' | C3' | H3' | 108.1° | 110.5° |
C3' | C4' | H4' | 110.0° | 110.4° |
C5' | C4' | O4' | 103.9° | 110.4° |
C4' | C5' | S1 | 114.9° | 109.5° |
C5' | C4' | H4' | 110.2° | 110.3° |
C4' | C5' | H5'2 | 108.1° | 109.4° |
C4' | C5' | H5'1 | 108.1° | 109.5° |
C4' | O4' | C1' | 109.7° | 105.3° |
O4' | C4' | H4' | 111.7° | 110.5° |
C5' | S1 | C12 | 98.2° | 103.0° |
S1 | C5' | H5'2 | 108.1° | 109.5° |
S1 | C5' | H5'1 | 108.1° | 109.5° |
S1 | C12 | C7 | 111.7° | 109.5° |
S1 | C12 | H44 | 108.9° | 109.5° |
S1 | C12 | H43 | 108.9° | 109.5° |
C12 | C7 | C21 | 120.3° | 119.9° |
C12 | C7 | C19 | 119.7° | 119.9° |
C7 | C12 | H44 | 108.9° | 109.4° |
C7 | C12 | H43 | 108.9° | 109.4° |
C21 | C7 | C19 | 120.0° | 120.3° |
C7 | C21 | C14 | 120.9° | 120.2° |
C7 | C21 | H51 | 119.5° | 119.9° |
C7 | C19 | C9 | 120.9° | 120.1° |
C7 | C19 | H45 | 119.5° | 120.0° |
C19 | C9 | C10 | 120.5° | 120.0° |
C19 | C9 | C13 | 118.0° | 119.8° |
C9 | C19 | H45 | 119.6° | 119.9° |
C10 | C9 | C13 | 121.5° | 120.2° |
C9 | C10 | O11 | 117.9° | 120.0° |
C9 | C10 | O12 | 118.5° | 120.0° |
C9 | C13 | C14 | 122.0° | 119.8° |
C9 | C13 | H46 | 119.0° | 120.1° |
O11 | C10 | O12 | 123.6° | 120.0° |
C10 | O11 | H1 | 109.5° | 117.0° |
C13 | C14 | C15 | 120.9° | 120.1° |
C13 | C14 | C21 | 118.2° | 119.9° |
C14 | C13 | H46 | 119.0° | 120.1° |
C15 | C14 | C21 | 120.8° | 120.0° |
C14 | C15 | C20 | 121.9° | 120.5° |
C14 | C15 | C16 | 121.0° | 120.5° |
C14 | C21 | H51 | 119.5° | 119.9° |
C20 | C15 | C16 | 117.1° | 119.0° |
C15 | C20 | N19 | 123.2° | 120.6° |
C15 | C20 | H50 | 118.4° | 119.8° |
C15 | C16 | C17 | 120.7° | 118.3° |
C15 | C16 | H47 | 119.7° | 120.9° |
C16 | C17 | C18 | 117.9° | 119.3° |
C17 | C16 | H47 | 119.7° | 120.8° |
C16 | C17 | H48 | 121.1° | 120.4° |
C17 | C18 | N19 | 123.1° | 121.0° |
C18 | C17 | H48 | 121.1° | 120.3° |
C17 | C18 | H49 | 118.4° | 119.5° |
C18 | N19 | C20 | 118.0° | 121.9° |
N19 | C18 | H49 | 118.5° | 119.5° |
N19 | C20 | H50 | 118.4° | 119.7° |
O4' | C1' | N9 | 111.7° | 110.4° |
O4' | C1' | C2' | 105.3° | 104.8° |
O4' | C1' | H1' | 109.1° | 110.4° |
N9 | C1' | C2' | 115.9° | 110.5° |
C1' | N9 | C8 | 128.7° | 126.3° |
C1' | N9 | C4 | 125.1° | 126.3° |
N9 | C1' | H1' | 107.4° | 110.3° |
C1' | C2' | O2' | 109.8° | 110.5° |
C2' | C1' | H1' | 107.2° | 110.3° |
C1' | C2' | H2' | 108.9° | 110.5° |
C8 | N9 | C4 | 106.2° | 107.4° |
N9 | C8 | N7 | 112.8° | 110.0° |
N9 | C8 | H8 | 123.6° | 125.0° |
N9 | C4 | N3 | 128.7° | 134.9° |
N9 | C4 | C5 | 105.5° | 106.0° |
N3 | C4 | C5 | 125.8° | 119.1° |
C4 | N3 | C2 | 111.2° | 120.6° |
C4 | C5 | C6 | 117.6° | 118.1° |
C4 | C5 | N7 | 110.1° | 107.1° |
N3 | C2 | N1 | 129.5° | 122.5° |
N3 | C2 | H2 | 115.3° | 118.8° |
C2 | N1 | C6 | 117.7° | 121.2° |
N1 | C2 | H2 | 115.2° | 118.7° |
N1 | C6 | C5 | 118.2° | 118.5° |
N1 | C6 | N6 | 117.7° | 120.8° |
C5 | C6 | N6 | 124.1° | 120.7° |
C6 | C5 | N7 | 132.3° | 134.7° |
C6 | N6 | HN61 | 109.5° | 120.0° |
C6 | N6 | HN62 | 109.5° | 120.0° |
C5 | N7 | C8 | 105.4° | 109.4° |
N7 | C8 | H8 | 123.6° | 125.0° |
O2' | C2' | H2' | 110.4° | 110.6° |
C2' | O2' | HO2' | 109.5° | 114.0° |
H5'2 | C5' | H5'1 | 109.5° | 109.5° |
H44 | C12 | H43 | 109.4° | 109.5° |
HN61 | N6 | HN62 | 109.4° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3' | C3' | C2' | C4' | 122.0° | 118.6° |
O3' | C3' | C2' | H3' | 122.5° | 122.7° |
O3' | C3' | C4' | H3' | 120.4° | 122.7° |
O3' | C3' | C4' | C5' | 120.6° | 98.5° |
O3' | C3' | C4' | O4' | 125.5° | 142.7° |
O3' | C3' | C2' | C1' | 103.2° | 118.7° |
O3' | C3' | C2' | O2' | 16.2° | 0.0° |
O3' | C3' | C4' | H4' | 5.2° | 23.7° |
O3' | C3' | C2' | H2' | 142.2° | 122.8° |
C2' | C3' | C4' | H3' | 115.6° | 118.7° |
C2' | C3' | C4' | C5' | 115.4° | 142.8° |
C2' | C3' | C4' | O4' | 1.5° | 24.0° |
C3' | C2' | C1' | O4' | 33.9° | 24.0° |
C3' | C2' | C1' | N9 | 157.8° | 142.9° |
C3' | C2' | C1' | O2' | 124.5° | 118.6° |
C3' | C2' | C1' | H2' | 114.6° | 118.6° |
C3' | C2' | O2' | H2' | 125.3° | 122.7° |
C3' | C2' | C1' | H1' | 82.2° | 94.9° |
C2' | C3' | C4' | H4' | 118.8° | 94.9° |
C2' | C3' | O3' | HO3' | 180.0° | 61.4° |
C3' | C2' | O2' | HO2' | 180.0° | 61.5° |
C3' | C4' | C5' | O4' | 114.4° | 115.3° |
C3' | C4' | C5' | H4' | 125.8° | 122.3° |
C3' | C4' | O4' | H4' | 119.1° | 118.9° |
C3' | C4' | C5' | S1 | 38.7° | 175.0° |
C3' | C4' | O4' | C1' | 24.4° | 40.5° |
C4' | C3' | C2' | C1' | 18.8° | 0.1° |
C4' | C3' | C2' | O2' | 138.1° | 118.6° |
C4' | C3' | C2' | H2' | 95.8° | 118.6° |
C3' | C4' | C5' | H5'2 | 159.5° | 55.0° |
C3' | C4' | C5' | H5'1 | 82.0° | 64.9° |
C4' | C3' | O3' | HO3' | 61.0° | 176.1° |
C5' | C4' | O4' | H4' | 118.7° | 122.3° |
C4' | C5' | S1 | H5'2 | 120.8° | 120.0° |
C4' | C5' | S1 | H5'1 | 120.8° | 120.0° |
C4' | C5' | S1 | C12 | 102.4° | 180.0° |
C5' | C4' | O4' | C1' | 146.6° | 159.3° |
C5' | C4' | C3' | H3' | 0.2° | 24.1° |
C4' | C5' | H5'2 | H5'1 | 117.5° | 120.0° |
O4' | C4' | C5' | S1 | 75.7° | 69.6° |
C4' | O4' | C1' | N9 | 164.3° | 159.5° |
C4' | O4' | C1' | C2' | 37.7° | 40.5° |
O4' | C4' | C3' | H3' | 114.1° | 94.7° |
C4' | O4' | C1' | H1' | 77.1° | 78.3° |
O4' | C4' | C5' | H5'2 | 45.1° | 170.3° |
O4' | C4' | C5' | H5'1 | 163.5° | 50.4° |
C5' | S1 | C12 | C7 | 176.2° | 180.0° |
S1 | C5' | C4' | H4' | 164.5° | 52.7° |
S1 | C5' | H5'2 | H5'1 | 117.5° | 120.1° |
C5' | S1 | C12 | H44 | 55.9° | 60.0° |
C5' | S1 | C12 | H43 | 63.4° | 60.0° |
S1 | C12 | C7 | H44 | 120.4° | 120.0° |
S1 | C12 | C7 | H43 | 120.3° | 120.0° |
S1 | C12 | C7 | C21 | 84.5° | 90.0° |
S1 | C12 | C7 | C19 | 95.5° | 90.0° |
C12 | S1 | C5' | H5'2 | 136.8° | 60.0° |
C12 | S1 | C5' | H5'1 | 18.3° | 60.0° |
S1 | C12 | H44 | H43 | 119.0° | 120.1° |
C12 | C7 | C21 | C19 | 180.0° | 180.0° |
C12 | C7 | C19 | C9 | 179.7° | 180.0° |
C12 | C7 | C21 | C14 | 179.9° | 180.0° |
C12 | C7 | C21 | H51 | 0.1° | 0.1° |
C7 | C12 | H44 | H43 | 119.0° | 119.9° |
C12 | C7 | C19 | H45 | 0.3° | 0.0° |
C21 | C7 | C19 | C9 | 0.3° | 0.0° |
C7 | C21 | C14 | C13 | 0.1° | 0.0° |
C7 | C21 | C14 | C15 | 179.5° | 180.0° |
C7 | C21 | C14 | H51 | 180.0° | 179.9° |
C21 | C7 | C12 | H44 | 155.1° | 150.0° |
C21 | C7 | C12 | H43 | 35.8° | 30.0° |
C21 | C7 | C19 | H45 | 179.7° | 180.0° |
C7 | C19 | C9 | H45 | 180.0° | 180.0° |
C7 | C19 | C9 | C10 | 179.9° | 179.7° |
C7 | C19 | C9 | C13 | 0.3° | 0.0° |
C19 | C7 | C21 | C14 | 0.1° | 0.0° |
C19 | C7 | C21 | H51 | 179.9° | 180.0° |
C19 | C7 | C12 | H44 | 24.9° | 30.0° |
C19 | C7 | C12 | H43 | 144.2° | 150.0° |
C19 | C9 | C10 | C13 | 179.8° | 179.7° |
C19 | C9 | C10 | O11 | 1.1° | 180.0° |
C19 | C9 | C10 | O12 | 179.5° | 0.3° |
C19 | C9 | C13 | C14 | 0.1° | 0.0° |
C19 | C9 | C13 | H46 | 179.9° | 179.8° |
C9 | C10 | O11 | O12 | 179.4° | 179.7° |
C10 | C9 | C13 | C14 | 179.9° | 179.7° |
C10 | C9 | C13 | H46 | 0.1° | 0.0° |
C10 | C9 | C19 | H45 | 0.1° | 0.3° |
C9 | C10 | O11 | H1 | 179.4° | 179.7° |
C13 | C9 | C10 | O11 | 179.2° | 0.3° |
C13 | C9 | C10 | O12 | 0.3° | 180.0° |
C9 | C13 | C14 | H46 | 180.0° | 179.7° |
C9 | C13 | C14 | C15 | 179.5° | 180.0° |
C9 | C13 | C14 | C21 | 0.1° | 0.0° |
C13 | C9 | C19 | H45 | 179.7° | 180.0° |
O12 | C10 | O11 | H1 | 0.0° | 0.0° |
C13 | C14 | C15 | C21 | 179.4° | 180.0° |
C13 | C14 | C15 | C20 | 27.3° | 179.8° |
C13 | C14 | C15 | C16 | 151.5° | 0.0° |
C13 | C14 | C21 | H51 | 179.9° | 179.9° |
C14 | C15 | C20 | C16 | 178.8° | 179.7° |
C14 | C15 | C16 | C17 | 179.6° | 180.0° |
C14 | C15 | C20 | N19 | 179.5° | 179.8° |
C15 | C14 | C13 | H46 | 0.5° | 0.3° |
C14 | C15 | C16 | H47 | 0.5° | 0.0° |
C14 | C15 | C20 | H50 | 0.5° | 0.0° |
C15 | C14 | C21 | H51 | 0.5° | 0.1° |
C21 | C14 | C15 | C20 | 153.3° | 0.2° |
C21 | C14 | C15 | C16 | 27.9° | 180.0° |
C21 | C14 | C13 | H46 | 179.9° | 179.7° |
C20 | C15 | C16 | C17 | 0.7° | 0.2° |
C15 | C20 | N19 | C18 | 0.3° | 0.5° |
C15 | C20 | N19 | H50 | 180.0° | 179.8° |
C20 | C15 | C16 | H47 | 179.3° | 179.8° |
C15 | C16 | C17 | H47 | 180.0° | 180.0° |
C15 | C16 | C17 | C18 | 0.4° | 0.0° |
C16 | C15 | C20 | N19 | 0.7° | 0.5° |
C15 | C16 | C17 | H48 | 179.6° | 180.0° |
C16 | C15 | C20 | H50 | 179.3° | 179.7° |
C16 | C17 | C18 | H48 | 180.0° | 180.0° |
C16 | C17 | C18 | N19 | 0.0° | 0.0° |
C16 | C17 | C18 | H49 | 180.0° | 180.0° |
C17 | C18 | N19 | H49 | 180.0° | 180.0° |
C17 | C18 | N19 | C20 | 0.1° | 0.3° |
C18 | C17 | C16 | H47 | 179.6° | 180.0° |
N19 | C18 | C17 | H48 | 180.0° | 180.0° |
C18 | N19 | C20 | H50 | 179.7° | 179.7° |
C20 | N19 | C18 | H49 | 180.0° | 179.7° |
O4' | C1' | N9 | C2' | 120.6° | 115.5° |
O4' | C1' | N9 | H1' | 119.6° | 122.3° |
O4' | C1' | C2' | H1' | 116.1° | 118.8° |
O4' | C1' | N9 | C8 | 61.5° | 23.5° |
O4' | C1' | N9 | C4 | 119.7° | 156.7° |
O4' | C1' | C2' | O2' | 158.4° | 142.6° |
C1' | O4' | C4' | H4' | 94.7° | 78.4° |
O4' | C1' | C2' | H2' | 80.7° | 94.6° |
N9 | C1' | C2' | H1' | 119.9° | 122.3° |
C1' | N9 | C8 | C4 | 179.0° | 179.8° |
C1' | N9 | C4 | N3 | 1.4° | 0.2° |
C1' | N9 | C4 | C5 | 179.0° | 179.9° |
C1' | N9 | C8 | N7 | 179.0° | 180.0° |
N9 | C1' | C2' | O2' | 77.6° | 98.5° |
C1' | N9 | C8 | H8 | 1.0° | 0.1° |
N9 | C1' | C2' | H2' | 43.3° | 24.3° |
C2' | C1' | N9 | C8 | 59.2° | 92.0° |
C2' | C1' | N9 | C4 | 119.6° | 87.8° |
C1' | C2' | O2' | H2' | 120.0° | 122.7° |
C1' | C2' | C3' | H3' | 134.3° | 118.6° |
C1' | C2' | O2' | HO2' | 65.3° | 176.1° |
C8 | N9 | C4 | N3 | 179.6° | 179.9° |
C8 | N9 | C4 | C5 | 0.0° | 0.3° |
N9 | C8 | N7 | C5 | 0.1° | 0.1° |
N9 | C8 | N7 | H8 | 180.0° | 179.9° |
C8 | N9 | C1' | H1' | 179.0° | 145.8° |
N9 | C4 | N3 | C5 | 179.6° | 179.7° |
N9 | C4 | N3 | C2 | 179.9° | 179.6° |
N9 | C4 | C5 | C6 | 180.0° | 179.8° |
N9 | C4 | C5 | N7 | 0.1° | 0.2° |
C4 | N9 | C8 | N7 | 0.1° | 0.2° |
C4 | N9 | C1' | H1' | 0.2° | 34.5° |
C4 | N9 | C8 | H8 | 180.0° | 179.7° |
C4 | N3 | C2 | N1 | 0.3° | 0.0° |
N3 | C4 | C5 | C6 | 0.3° | 0.0° |
N3 | C4 | C5 | N7 | 179.6° | 180.0° |
C4 | N3 | C2 | H2 | 179.7° | 179.9° |
C5 | C4 | N3 | C2 | 0.4° | 0.0° |
C4 | C5 | C6 | N1 | 0.1° | 0.1° |
C4 | C5 | C6 | N7 | 179.8° | 180.0° |
C4 | C5 | C6 | N6 | 179.9° | 180.0° |
C4 | C5 | N7 | C8 | 0.1° | 0.1° |
N3 | C2 | N1 | H2 | 180.0° | 180.0° |
N3 | C2 | N1 | C6 | 0.1° | 0.0° |
C2 | N1 | C6 | C5 | 0.0° | 0.0° |
C2 | N1 | C6 | N6 | 180.0° | 179.9° |
N1 | C6 | C5 | N6 | 180.0° | 179.9° |
N1 | C6 | C5 | N7 | 179.7° | 179.9° |
C6 | N1 | C2 | H2 | 179.9° | 180.0° |
N1 | C6 | N6 | HN61 | 0.0° | 179.9° |
N1 | C6 | N6 | HN62 | 120.0° | 0.2° |
C6 | C5 | N7 | C8 | 180.0° | 179.9° |
C5 | C6 | N6 | HN61 | 180.0° | 0.0° |
C5 | C6 | N6 | HN62 | 60.0° | 180.0° |
N6 | C6 | C5 | N7 | 0.2° | 0.0° |
C6 | N6 | HN61 | HN62 | 120.0° | 179.9° |
C5 | N7 | C8 | H8 | 179.9° | 179.8° |
O2' | C2' | C3' | H3' | 106.3° | 122.7° |
O2' | C2' | C1' | H1' | 42.3° | 23.8° |
H47 | C16 | C17 | H48 | 0.4° | 0.0° |
H48 | C17 | C18 | H49 | 0.0° | 0.0° |
H3' | C3' | C4' | H4' | 125.6° | 146.4° |
H3' | C3' | C2' | H2' | 19.7° | 0.1° |
H3' | C3' | O3' | HO3' | 58.4° | 61.3° |
H1' | C1' | C2' | H2' | 163.2° | 146.6° |
H4' | C4' | C5' | H5'2 | 74.7° | 67.3° |
H4' | C4' | C5' | H5'1 | 43.7° | 172.8° |
H2' | C2' | O2' | HO2' | 54.7° | 61.2° |