3Q5
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C2 | C1 | doub | 1.35Å | 1.38Å | Aromatic |
C5 | C1 | sing | 1.41Å | 1.39Å | Aromatic |
C1 | H1 | sing | 1.08Å | 1.08Å | |
C6 | C2 | sing | 1.41Å | 1.38Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C3 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
C3 | C7 | sing | 1.41Å | 1.38Å | Aromatic |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C8 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
C9 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C7 | C5 | sing | 1.47Å | 1.38Å | Aromatic |
C5 | C10 | doub | 1.39Å | 1.42Å | Aromatic |
C8 | C6 | sing | 1.48Å | 1.46Å | Aromatic |
N26 | C7 | doub | 1.32Å | 1.37Å | Aromatic |
N23 | C8 | sing | 1.33Å | 1.34Å | Aromatic |
N24 | C9 | doub | 1.33Å | 1.34Å | Aromatic |
C9 | N27 | sing | 1.39Å | 1.42Å | |
N25 | C10 | sing | 1.34Å | 1.34Å | Aromatic |
C10 | N28 | sing | 1.39Å | 1.36Å | |
N29 | C11 | sing | 1.38Å | 1.40Å | |
C11 | N23 | doub | 1.32Å | 1.34Å | Aromatic |
C11 | N24 | sing | 1.33Å | 1.34Å | Aromatic |
O32 | C12 | sing | 1.35Å | 1.36Å | |
N30 | C12 | sing | 1.35Å | 1.38Å | |
C12 | O31 | doub | 1.21Å | 1.22Å | |
C16 | C13 | sing | 1.53Å | 1.52Å | |
C13 | C14 | sing | 1.53Å | 1.53Å | |
C13 | H13 | sing | 1.09Å | 1.10Å | |
C13 | H13A | sing | 1.09Å | 1.10Å | |
C17 | C14 | sing | 1.53Å | 1.51Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
C14 | H14A | sing | 1.09Å | 1.10Å | |
C15 | N27 | sing | 1.47Å | 1.45Å | |
C15 | C16 | sing | 1.53Å | 1.52Å | |
C15 | H15 | sing | 1.09Å | 1.10Å | |
C15 | H15A | sing | 1.09Å | 1.10Å | |
N30 | C16 | sing | 1.46Å | 1.45Å | |
C16 | H16 | sing | 1.09Å | 1.10Å | |
C18 | C17 | sing | 1.53Å | 1.51Å | |
N27 | C17 | sing | 1.47Å | 1.45Å | |
C17 | H17 | sing | 1.09Å | 1.10Å | |
C18 | H18 | sing | 1.09Å | 1.10Å | |
C18 | H18A | sing | 1.09Å | 1.10Å | |
C18 | H18B | sing | 1.09Å | 1.10Å | |
C22 | C19 | sing | 1.53Å | 1.52Å | |
C19 | H19 | sing | 1.09Å | 1.10Å | |
C19 | H19A | sing | 1.09Å | 1.10Å | |
C19 | H19B | sing | 1.09Å | 1.10Å | |
C20 | C22 | sing | 1.53Å | 1.51Å | |
C20 | H20 | sing | 1.09Å | 1.10Å | |
C20 | H20A | sing | 1.09Å | 1.10Å | |
C20 | H20B | sing | 1.09Å | 1.10Å | |
C21 | C22 | sing | 1.53Å | 1.51Å | |
C21 | H21 | sing | 1.09Å | 1.10Å | |
C21 | H21A | sing | 1.09Å | 1.10Å | |
C21 | H21B | sing | 1.09Å | 1.10Å | |
O32 | C22 | sing | 1.45Å | 1.42Å | |
N26 | N25 | sing | 1.40Å | 1.35Å | Aromatic |
N28 | HN28 | sing | 0.97Å | 1.00Å | |
N28 | HN2A | sing | 0.97Å | 1.00Å | |
N29 | HN29 | sing | 0.97Å | 1.00Å | |
N29 | HN2B | sing | 0.97Å | 1.00Å | |
N30 | HN30 | sing | 0.97Å | 1.00Å | |
N25 | HN25 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | C5 | 116.8° | 119.8° |
C2 | C1 | H1 | 121.6° | 120.1° |
C1 | C2 | C6 | 123.7° | 121.6° |
C1 | C2 | H2 | 118.2° | 119.2° |
C5 | C1 | H1 | 121.6° | 120.1° |
C1 | C5 | C7 | 119.0° | 119.2° |
C1 | C5 | C10 | 135.7° | 134.5° |
C6 | C2 | H2 | 118.2° | 119.2° |
C2 | C6 | C3 | 119.5° | 121.3° |
C2 | C6 | C8 | 121.6° | 119.3° |
C6 | C3 | C7 | 116.7° | 119.4° |
C6 | C3 | H3 | 121.6° | 120.3° |
C3 | C6 | C8 | 118.9° | 119.3° |
C7 | C3 | H3 | 121.6° | 120.3° |
C3 | C7 | C5 | 124.2° | 118.7° |
C3 | C7 | N26 | 130.2° | 134.5° |
C8 | C4 | C9 | 117.9° | 118.4° |
C8 | C4 | H4 | 121.0° | 120.8° |
C4 | C8 | C6 | 122.3° | 120.5° |
C4 | C8 | N23 | 121.0° | 119.1° |
C9 | C4 | H4 | 121.0° | 120.8° |
C4 | C9 | N24 | 121.5° | 119.1° |
C4 | C9 | N27 | 119.3° | 120.4° |
C7 | C5 | C10 | 105.3° | 106.3° |
C5 | C7 | N26 | 105.6° | 106.8° |
C5 | C10 | N25 | 111.2° | 107.7° |
C5 | C10 | N28 | 122.8° | 126.2° |
C6 | C8 | N23 | 116.7° | 120.5° |
C7 | N26 | N25 | 113.5° | 109.2° |
C8 | N23 | C11 | 117.4° | 120.8° |
N24 | C9 | N27 | 119.1° | 120.4° |
C9 | N24 | C11 | 117.1° | 120.8° |
C9 | N27 | C15 | 118.3° | 111.0° |
C9 | N27 | C17 | 116.9° | 111.0° |
N25 | C10 | N28 | 126.0° | 126.2° |
C10 | N25 | N26 | 104.5° | 109.9° |
C10 | N25 | HN25 | 127.7° | 125.0° |
C10 | N28 | HN28 | 109.5° | 120.0° |
C10 | N28 | HN2A | 109.5° | 120.0° |
N29 | C11 | N23 | 118.8° | 119.1° |
N29 | C11 | N24 | 116.2° | 119.1° |
C11 | N29 | HN29 | 109.5° | 120.0° |
C11 | N29 | HN2B | 109.5° | 120.0° |
N23 | C11 | N24 | 125.0° | 121.8° |
O32 | C12 | N30 | 108.9° | 119.9° |
O32 | C12 | O31 | 124.5° | 120.1° |
C12 | O32 | C22 | 116.8° | 117.0° |
N30 | C12 | O31 | 126.6° | 120.0° |
C12 | N30 | C16 | 121.9° | 120.0° |
C12 | N30 | HN30 | 119.0° | 120.0° |
C16 | C13 | C14 | 110.8° | 109.1° |
C16 | C13 | H13 | 109.0° | 109.5° |
C16 | C13 | H13A | 109.0° | 109.5° |
C13 | C16 | C15 | 107.5° | 109.3° |
C13 | C16 | N30 | 110.9° | 109.5° |
C13 | C16 | H16 | 111.5° | 109.4° |
C14 | C13 | H13 | 109.1° | 109.5° |
C14 | C13 | H13A | 109.0° | 109.5° |
C13 | C14 | C17 | 110.7° | 109.3° |
C13 | C14 | H14 | 109.1° | 109.5° |
C13 | C14 | H14A | 109.1° | 109.5° |
H13 | C13 | H13A | 109.9° | 109.6° |
C17 | C14 | H14 | 109.0° | 109.5° |
C17 | C14 | H14A | 109.0° | 109.6° |
C14 | C17 | C18 | 109.7° | 109.5° |
C14 | C17 | N27 | 102.0° | 109.5° |
C14 | C17 | H17 | 114.8° | 109.5° |
H14 | C14 | H14A | 109.9° | 109.5° |
N27 | C15 | C16 | 99.7° | 109.5° |
N27 | C15 | H15 | 112.9° | 109.5° |
N27 | C15 | H15A | 112.9° | 109.5° |
C15 | N27 | C17 | 117.0° | 111.2° |
C16 | C15 | H15 | 112.8° | 109.4° |
C16 | C15 | H15A | 112.9° | 109.4° |
C15 | C16 | N30 | 113.9° | 109.5° |
C15 | C16 | H16 | 108.3° | 109.6° |
H15 | C15 | H15A | 105.9° | 109.5° |
N30 | C16 | H16 | 104.8° | 109.5° |
C16 | N30 | HN30 | 119.1° | 120.0° |
C18 | C17 | N27 | 111.5° | 109.4° |
C18 | C17 | H17 | 105.8° | 109.5° |
C17 | C18 | H18 | 109.5° | 109.4° |
C17 | C18 | H18A | 109.5° | 109.4° |
C17 | C18 | H18B | 109.5° | 109.5° |
N27 | C17 | H17 | 113.1° | 109.4° |
H18 | C18 | H18A | 109.5° | 109.5° |
H18 | C18 | H18B | 109.4° | 109.5° |
H18A | C18 | H18B | 109.5° | 109.5° |
C22 | C19 | H19 | 109.5° | 109.5° |
C22 | C19 | H19A | 109.5° | 109.4° |
C22 | C19 | H19B | 109.5° | 109.5° |
C19 | C22 | C20 | 109.2° | 109.5° |
C19 | C22 | C21 | 111.8° | 109.5° |
C19 | C22 | O32 | 110.4° | 109.5° |
H19 | C19 | H19A | 109.4° | 109.5° |
H19 | C19 | H19B | 109.5° | 109.5° |
H19A | C19 | H19B | 109.5° | 109.5° |
C22 | C20 | H20 | 109.5° | 109.4° |
C22 | C20 | H20A | 109.5° | 109.4° |
C22 | C20 | H20B | 109.5° | 109.5° |
C20 | C22 | C21 | 108.7° | 109.5° |
C20 | C22 | O32 | 106.6° | 109.5° |
H20 | C20 | H20A | 109.4° | 109.5° |
H20 | C20 | H20B | 109.5° | 109.5° |
H20A | C20 | H20B | 109.5° | 109.5° |
C22 | C21 | H21 | 109.5° | 109.5° |
C22 | C21 | H21A | 109.5° | 109.5° |
C22 | C21 | H21B | 109.5° | 109.5° |
C21 | C22 | O32 | 110.0° | 109.5° |
H21 | C21 | H21A | 109.5° | 109.5° |
H21 | C21 | H21B | 109.4° | 109.5° |
H21A | C21 | H21B | 109.5° | 109.5° |
N26 | N25 | HN25 | 127.8° | 125.0° |
HN28 | N28 | HN2A | 109.5° | 120.0° |
HN29 | N29 | HN2B | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | C5 | H1 | 180.0° | 179.7° |
C1 | C2 | C6 | H2 | 180.0° | 180.0° |
C1 | C2 | C6 | C3 | 0.4° | 0.0° |
C2 | C1 | C5 | C7 | 0.0° | 0.2° |
C2 | C1 | C5 | C10 | 179.3° | 179.7° |
C1 | C2 | C6 | C8 | 179.6° | 179.7° |
C5 | C1 | C2 | C6 | 0.2° | 0.2° |
C5 | C1 | C2 | H2 | 179.8° | 179.8° |
C1 | C5 | C7 | C3 | 0.1° | 0.0° |
C1 | C5 | C7 | C10 | 179.5° | 180.0° |
C1 | C5 | C7 | N26 | 179.8° | 179.9° |
C1 | C5 | C10 | N25 | 179.3° | 179.9° |
C1 | C5 | C10 | N28 | 0.2° | 0.1° |
H1 | C1 | C2 | C6 | 179.8° | 180.0° |
H1 | C1 | C2 | H2 | 0.2° | 0.1° |
H1 | C1 | C5 | C7 | 180.0° | 180.0° |
H1 | C1 | C5 | C10 | 0.7° | 0.0° |
C2 | C6 | C3 | C8 | 180.0° | 179.7° |
C2 | C6 | C3 | C7 | 0.3° | 0.2° |
C2 | C6 | C3 | H3 | 179.7° | 179.9° |
C2 | C6 | C8 | C4 | 12.3° | 0.3° |
C2 | C6 | C8 | N23 | 170.3° | 179.7° |
H2 | C2 | C6 | C3 | 179.6° | 180.0° |
H2 | C2 | C6 | C8 | 0.4° | 0.3° |
C6 | C3 | C7 | H3 | 180.0° | 179.8° |
C3 | C6 | C8 | C4 | 167.7° | 180.0° |
C6 | C3 | C7 | C5 | 0.1° | 0.2° |
C6 | C3 | C7 | N26 | 179.5° | 180.0° |
C3 | C6 | C8 | N23 | 9.7° | 0.0° |
C3 | C7 | C5 | N26 | 179.7° | 179.9° |
C3 | C7 | C5 | C10 | 179.4° | 179.9° |
C7 | C3 | C6 | C8 | 179.7° | 179.9° |
C3 | C7 | N26 | N25 | 179.1° | 179.9° |
H3 | C3 | C7 | C5 | 179.9° | 180.0° |
H3 | C3 | C6 | C8 | 0.3° | 0.3° |
H3 | C3 | C7 | N26 | 0.5° | 0.1° |
C8 | C4 | C9 | H4 | 180.0° | 179.8° |
C4 | C8 | C6 | N23 | 177.4° | 180.0° |
C8 | C4 | C9 | N24 | 1.2° | 0.2° |
C8 | C4 | C9 | N27 | 177.7° | 179.7° |
C4 | C8 | N23 | C11 | 0.0° | 0.0° |
C9 | C4 | C8 | C6 | 177.8° | 179.7° |
C9 | C4 | C8 | N23 | 0.5° | 0.3° |
C4 | C9 | N24 | N27 | 176.5° | 179.9° |
C4 | C9 | N24 | C11 | 1.4° | 0.0° |
C4 | C9 | N27 | C15 | 159.5° | 56.0° |
C4 | C9 | N27 | C17 | 11.1° | 179.8° |
H4 | C4 | C8 | C6 | 2.2° | 0.0° |
H4 | C4 | C8 | N23 | 179.5° | 180.0° |
H4 | C4 | C9 | N24 | 178.8° | 180.0° |
H4 | C4 | C9 | N27 | 2.3° | 0.1° |
C7 | C5 | C10 | N25 | 0.1° | 0.0° |
C7 | C5 | C10 | N28 | 179.7° | 180.0° |
C5 | C7 | N26 | N25 | 0.5° | 0.3° |
C10 | C5 | C7 | N26 | 0.2° | 0.2° |
C5 | C10 | N25 | N28 | 179.6° | 180.0° |
C5 | C10 | N25 | N26 | 0.4° | 0.2° |
C5 | C10 | N28 | HN28 | 180.0° | 0.1° |
C5 | C10 | N28 | HN2A | 60.0° | 180.0° |
C5 | C10 | N25 | HN25 | 179.6° | 179.9° |
C6 | C8 | N23 | C11 | 177.5° | 180.0° |
C7 | N26 | N25 | C10 | 0.5° | 0.3° |
C7 | N26 | N25 | HN25 | 179.5° | 180.0° |
C8 | N23 | C11 | N29 | 179.8° | 180.0° |
C8 | N23 | C11 | N24 | 0.3° | 0.2° |
C9 | N24 | C11 | N29 | 179.5° | 180.0° |
C9 | N24 | C11 | N23 | 1.0° | 0.3° |
N24 | C9 | N27 | C15 | 23.9° | 123.9° |
N24 | C9 | N27 | C17 | 172.3° | 0.3° |
N27 | C9 | N24 | C11 | 177.9° | 179.9° |
C9 | N27 | C17 | C14 | 141.0° | 174.1° |
C9 | N27 | C15 | C17 | 148.4° | 124.1° |
C9 | N27 | C15 | C16 | 136.4° | 174.2° |
C9 | N27 | C15 | H15 | 103.6° | 54.2° |
C9 | N27 | C15 | H15A | 16.4° | 65.9° |
C9 | N27 | C17 | C18 | 102.0° | 65.8° |
C9 | N27 | C17 | H17 | 17.2° | 54.1° |
C10 | N25 | N26 | HN25 | 180.0° | 179.7° |
N25 | C10 | N28 | HN28 | 0.5° | 179.9° |
N25 | C10 | N28 | HN2A | 119.5° | 0.0° |
N28 | C10 | N25 | N26 | 179.9° | 179.8° |
C10 | N28 | HN28 | HN2A | 120.0° | 179.9° |
N28 | C10 | N25 | HN25 | 0.1° | 0.1° |
N29 | C11 | N23 | N24 | 179.5° | 179.8° |
C11 | N29 | HN29 | HN2B | 120.0° | 180.0° |
N23 | C11 | N29 | HN29 | 0.0° | 0.0° |
N23 | C11 | N29 | HN2B | 120.0° | 179.9° |
N24 | C11 | N29 | HN29 | 179.6° | 179.7° |
N24 | C11 | N29 | HN2B | 59.6° | 0.3° |
O32 | C12 | N30 | O31 | 178.9° | 180.0° |
O32 | C12 | N30 | C16 | 175.4° | 180.0° |
C12 | O32 | C22 | C19 | 52.5° | 180.0° |
C12 | O32 | C22 | C20 | 171.0° | 60.0° |
C12 | O32 | C22 | C21 | 71.4° | 60.0° |
O32 | C12 | N30 | HN30 | 4.6° | 0.1° |
C12 | N30 | C16 | C13 | 134.5° | 85.1° |
C12 | N30 | C16 | C15 | 104.0° | 155.0° |
C12 | N30 | C16 | HN30 | 180.0° | 179.9° |
C12 | N30 | C16 | H16 | 14.1° | 34.9° |
N30 | C12 | O32 | C22 | 174.2° | 180.0° |
O31 | C12 | N30 | C16 | 3.5° | 0.0° |
O31 | C12 | O32 | C22 | 6.8° | 0.0° |
O31 | C12 | N30 | HN30 | 176.4° | 180.0° |
C16 | C13 | C14 | H13 | 120.0° | 119.9° |
C16 | C13 | C14 | H13A | 120.0° | 119.9° |
C16 | C13 | H13 | H13A | 119.5° | 120.2° |
C16 | C13 | C14 | C17 | 56.1° | 57.6° |
C16 | C13 | C14 | H14 | 176.1° | 177.6° |
C16 | C13 | C14 | H14A | 63.9° | 62.4° |
C13 | C16 | C15 | N27 | 63.4° | 59.2° |
C13 | C16 | C15 | N30 | 123.3° | 120.0° |
C13 | C16 | C15 | H16 | 120.6° | 119.9° |
C13 | C16 | C15 | H15 | 56.6° | 179.2° |
C13 | C16 | C15 | H15A | 176.6° | 60.8° |
C13 | C16 | N30 | H16 | 120.4° | 120.0° |
C13 | C16 | N30 | HN30 | 45.4° | 94.8° |
C14 | C13 | H13 | H13A | 119.5° | 120.1° |
C13 | C14 | C17 | H14 | 120.0° | 119.9° |
C13 | C14 | C17 | H14A | 120.0° | 120.0° |
C13 | C14 | H14 | H14A | 119.5° | 120.1° |
C14 | C13 | C16 | C15 | 60.7° | 57.6° |
C14 | C13 | C16 | N30 | 174.2° | 177.6° |
C14 | C13 | C16 | H16 | 57.8° | 62.3° |
C13 | C14 | C17 | C18 | 64.1° | 60.8° |
C13 | C14 | C17 | N27 | 54.2° | 59.2° |
C13 | C14 | C17 | H17 | 176.9° | 179.2° |
H13 | C13 | C14 | C17 | 63.9° | 177.5° |
H13 | C13 | C14 | H14 | 56.1° | 62.5° |
H13 | C13 | C14 | H14A | 176.1° | 57.5° |
H13 | C13 | C16 | C15 | 59.3° | 177.5° |
H13 | C13 | C16 | N30 | 65.8° | 62.5° |
H13 | C13 | C16 | H16 | 177.9° | 57.5° |
H13A | C13 | C14 | C17 | 176.1° | 62.3° |
H13A | C13 | C14 | H14 | 63.9° | 57.7° |
H13A | C13 | C14 | H14A | 56.1° | 177.7° |
H13A | C13 | C16 | C15 | 179.3° | 62.2° |
H13A | C13 | C16 | N30 | 54.1° | 57.7° |
H13A | C13 | C16 | H16 | 62.2° | 177.8° |
C17 | C14 | H14 | H14A | 119.4° | 120.2° |
C14 | C17 | N27 | C15 | 70.2° | 61.8° |
C14 | C17 | C18 | N27 | 112.2° | 120.1° |
C14 | C17 | C18 | H17 | 124.4° | 120.0° |
C14 | C17 | N27 | H17 | 123.8° | 120.0° |
C14 | C17 | C18 | H18 | 180.0° | 60.0° |
C14 | C17 | C18 | H18A | 60.0° | 180.0° |
C14 | C17 | C18 | H18B | 60.0° | 60.0° |
H14 | C14 | C17 | C18 | 55.9° | 59.1° |
H14 | C14 | C17 | N27 | 174.2° | 179.1° |
H14 | C14 | C17 | H17 | 63.1° | 60.9° |
H14A | C14 | C17 | C18 | 175.9° | 179.2° |
H14A | C14 | C17 | N27 | 65.8° | 60.8° |
H14A | C14 | C17 | H17 | 56.9° | 59.2° |
N27 | C15 | C16 | H15 | 120.0° | 120.0° |
N27 | C15 | C16 | H15A | 120.0° | 120.0° |
N27 | C15 | H15 | H15A | 123.9° | 120.0° |
N27 | C15 | C16 | N30 | 173.3° | 179.1° |
N27 | C15 | C16 | H16 | 57.2° | 60.7° |
C15 | N27 | C17 | C18 | 46.8° | 58.3° |
C15 | N27 | C17 | H17 | 166.0° | 178.2° |
C16 | C15 | H15 | H15A | 123.9° | 120.0° |
C15 | C16 | N30 | H16 | 118.1° | 120.2° |
C16 | C15 | N27 | C17 | 75.2° | 61.7° |
C15 | C16 | N30 | HN30 | 76.0° | 25.0° |
H15 | C15 | C16 | N30 | 66.6° | 60.9° |
H15 | C15 | C16 | H16 | 177.2° | 59.2° |
H15 | C15 | N27 | C17 | 44.8° | 178.3° |
H15A | C15 | C16 | N30 | 53.3° | 59.1° |
H15A | C15 | C16 | H16 | 62.8° | 179.3° |
H15A | C15 | N27 | C17 | 164.7° | 58.2° |
H16 | C16 | N30 | HN30 | 165.9° | 145.2° |
C18 | C17 | N27 | H17 | 119.1° | 119.9° |
C17 | C18 | H18 | H18A | 120.0° | 119.9° |
C17 | C18 | H18 | H18B | 120.0° | 120.0° |
C17 | C18 | H18A | H18B | 120.0° | 120.0° |
N27 | C17 | C18 | H18 | 67.8° | 179.9° |
N27 | C17 | C18 | H18A | 52.3° | 59.9° |
N27 | C17 | C18 | H18B | 172.3° | 60.1° |
H17 | C17 | C18 | H18 | 55.6° | 60.0° |
H17 | C17 | C18 | H18A | 175.6° | 60.0° |
H17 | C17 | C18 | H18B | 64.4° | 180.0° |
H18 | C18 | H18A | H18B | 120.0° | 120.1° |
C22 | C19 | H19 | H19A | 120.0° | 120.0° |
C22 | C19 | H19 | H19B | 120.0° | 120.0° |
C22 | C19 | H19A | H19B | 120.0° | 120.0° |
C19 | C22 | C20 | C21 | 122.2° | 120.0° |
C19 | C22 | C20 | O32 | 119.3° | 120.0° |
C19 | C22 | C20 | H20 | 180.0° | 180.0° |
C19 | C22 | C20 | H20A | 60.0° | 60.0° |
C19 | C22 | C20 | H20B | 60.0° | 60.0° |
C19 | C22 | C21 | O32 | 123.0° | 120.0° |
C19 | C22 | C21 | H21 | 180.0° | 60.0° |
C19 | C22 | C21 | H21A | 60.0° | 60.0° |
C19 | C22 | C21 | H21B | 60.0° | 180.0° |
H19 | C19 | H19A | H19B | 120.0° | 120.0° |
H19 | C19 | C22 | C20 | 180.0° | 60.0° |
H19 | C19 | C22 | C21 | 59.7° | 180.0° |
H19 | C19 | C22 | O32 | 63.1° | 60.0° |
H19A | C19 | C22 | C20 | 60.0° | 180.0° |
H19A | C19 | C22 | C21 | 179.7° | 60.0° |
H19A | C19 | C22 | O32 | 56.9° | 60.0° |
H19B | C19 | C22 | C20 | 60.0° | 60.0° |
H19B | C19 | C22 | C21 | 60.3° | 59.9° |
H19B | C19 | C22 | O32 | 176.9° | 180.0° |
C22 | C20 | H20 | H20A | 120.0° | 119.9° |
C22 | C20 | H20 | H20B | 120.0° | 120.0° |
C22 | C20 | H20A | H20B | 120.0° | 120.0° |
C20 | C22 | C21 | O32 | 116.4° | 120.0° |
C20 | C22 | C21 | H21 | 59.4° | 60.0° |
C20 | C22 | C21 | H21A | 179.4° | 180.0° |
C20 | C22 | C21 | H21B | 60.6° | 60.0° |
H20 | C20 | H20A | H20B | 120.0° | 120.1° |
H20 | C20 | C22 | C21 | 57.8° | 60.0° |
H20 | C20 | C22 | O32 | 60.7° | 60.0° |
H20A | C20 | C22 | C21 | 62.2° | 180.0° |
H20A | C20 | C22 | O32 | 179.3° | 60.0° |
H20B | C20 | C22 | C21 | 177.8° | 60.0° |
H20B | C20 | C22 | O32 | 59.3° | 180.0° |
C22 | C21 | H21 | H21A | 120.0° | 120.0° |
C22 | C21 | H21 | H21B | 120.0° | 120.0° |
C22 | C21 | H21A | H21B | 120.0° | 120.0° |
H21 | C21 | H21A | H21B | 120.0° | 120.0° |
H21 | C21 | C22 | O32 | 57.0° | 180.0° |
H21A | C21 | C22 | O32 | 63.0° | 60.0° |
H21B | C21 | C22 | O32 | 177.0° | 60.0° |