IM9
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | N4 | sing | 1.47Å | 1.47Å | |
N4 | C5 | sing | 1.35Å | 1.35Å | Aromatic |
N4 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
C5 | C6 | sing | 1.51Å | 1.51Å | |
C5 | N7 | doub | 1.32Å | 1.32Å | Aromatic |
N7 | C8 | sing | 1.34Å | 1.34Å | Aromatic |
C8 | C9 | doub | 1.36Å | 1.36Å | Aromatic |
C9 | C10 | sing | 1.47Å | 1.47Å | Aromatic |
C10 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
C10 | N32 | doub | 1.36Å | 1.36Å | Aromatic |
C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
C12 | N13 | sing | 1.33Å | 1.33Å | Aromatic |
N13 | C14 | doub | 1.33Å | 1.33Å | Aromatic |
C14 | N15 | sing | 1.39Å | 1.39Å | |
C14 | N32 | sing | 1.35Å | 1.35Å | Aromatic |
N15 | C16 | sing | 1.39Å | 1.39Å | |
C16 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
C16 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
C19 | N22 | sing | 1.42Å | 1.42Å | |
C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
N22 | C23 | sing | 1.47Å | 1.47Å | |
N22 | C27 | sing | 1.47Å | 1.47Å | |
C23 | C24 | sing | 1.53Å | 1.53Å | |
C24 | N25 | sing | 1.48Å | 1.48Å | |
N25 | C26 | sing | 1.47Å | 1.47Å | |
N25 | C28 | sing | 1.35Å | 1.35Å | |
C26 | C27 | sing | 1.54Å | 1.54Å | |
C28 | O29 | doub | 1.23Å | 1.23Å | |
C28 | C30 | sing | 1.51Å | 1.51Å | |
C30 | O31 | sing | 1.44Å | 1.44Å | |
C1 | H1C1 | sing | 1.10Å | 1.10Å | |
C1 | H1C2 | sing | 1.10Å | 1.10Å | |
C1 | H1C3 | sing | 1.10Å | 1.10Å | |
C2 | H2 | sing | 1.10Å | 1.10Å | |
C3 | H3C1 | sing | 1.10Å | 1.10Å | |
C3 | H3C2 | sing | 1.10Å | 1.10Å | |
C3 | H3C3 | sing | 1.10Å | 1.10Å | |
C6 | H6C1 | sing | 1.10Å | 1.10Å | |
C6 | H6C2 | sing | 1.10Å | 1.10Å | |
C6 | H6C3 | sing | 1.10Å | 1.10Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C12 | H12 | sing | 1.08Å | 1.08Å | |
N15 | H15 | sing | 1.00Å | 1.00Å | |
C17 | H17 | sing | 1.08Å | 1.08Å | |
C21 | H21 | sing | 1.08Å | 1.08Å | |
C18 | H18 | sing | 1.08Å | 1.08Å | |
C20 | H20 | sing | 1.08Å | 1.08Å | |
C23 | H231 | sing | 1.10Å | 1.10Å | |
C23 | H232 | sing | 1.10Å | 1.10Å | |
C27 | H271 | sing | 1.10Å | 1.10Å | |
C27 | H272 | sing | 1.10Å | 1.10Å | |
C24 | H241 | sing | 1.10Å | 1.10Å | |
C24 | H242 | sing | 1.10Å | 1.10Å | |
C26 | H261 | sing | 1.10Å | 1.10Å | |
C26 | H262 | sing | 1.10Å | 1.10Å | |
C30 | H301 | sing | 1.10Å | 1.10Å | |
C30 | H302 | sing | 1.10Å | 1.10Å | |
O31 | H31 | sing | 0.95Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | C2 | C3 | 110.1° | 110.1° |
C1 | C2 | N4 | 110.2° | 110.2° |
C2 | C1 | H1C1 | 109.5° | 109.5° |
C2 | C1 | H1C2 | 109.5° | 109.5° |
C2 | C1 | H1C3 | 109.5° | 109.5° |
C1 | C2 | H2 | 109.3° | 109.3° |
C3 | C2 | N4 | 111.7° | 111.7° |
C3 | C2 | H2 | 107.8° | 107.8° |
C2 | C3 | H3C1 | 109.5° | 109.5° |
C2 | C3 | H3C2 | 109.5° | 109.4° |
C2 | C3 | H3C3 | 109.5° | 109.5° |
C2 | N4 | C5 | 127.2° | 127.2° |
C2 | N4 | C9 | 126.9° | 126.9° |
N4 | C2 | H2 | 107.7° | 107.6° |
C5 | N4 | C9 | 105.9° | 105.9° |
N4 | C5 | C6 | 124.2° | 124.2° |
N4 | C5 | N7 | 109.6° | 109.6° |
N4 | C9 | C8 | 107.8° | 107.8° |
N4 | C9 | C10 | 126.2° | 126.2° |
C6 | C5 | N7 | 126.2° | 126.2° |
C5 | C6 | H6C1 | 109.5° | 109.5° |
C5 | C6 | H6C2 | 109.4° | 109.4° |
C5 | C6 | H6C3 | 109.4° | 109.5° |
C5 | N7 | C8 | 109.7° | 109.7° |
N7 | C8 | C9 | 106.9° | 106.9° |
N7 | C8 | H8 | 126.5° | 126.5° |
C8 | C9 | C10 | 126.0° | 126.0° |
C9 | C8 | H8 | 126.5° | 126.5° |
C9 | C10 | C11 | 119.3° | 119.3° |
C9 | C10 | N32 | 120.1° | 120.1° |
C11 | C10 | N32 | 120.6° | 120.6° |
C10 | C11 | C12 | 116.9° | 116.9° |
C10 | C11 | H11 | 121.6° | 121.6° |
C10 | N32 | C14 | 119.3° | 119.3° |
C11 | C12 | N13 | 120.3° | 120.3° |
C12 | C11 | H11 | 121.5° | 121.5° |
C11 | C12 | H12 | 119.9° | 119.9° |
C12 | N13 | C14 | 121.9° | 121.9° |
N13 | C12 | H12 | 119.8° | 119.8° |
N13 | C14 | N15 | 114.0° | 114.0° |
N13 | C14 | N32 | 121.0° | 121.0° |
N15 | C14 | N32 | 124.9° | 124.9° |
C14 | N15 | C16 | 130.7° | 130.7° |
C14 | N15 | H15 | 114.6° | 114.6° |
N15 | C16 | C17 | 125.2° | 125.2° |
N15 | C16 | C21 | 116.1° | 116.1° |
C16 | N15 | H15 | 114.7° | 114.7° |
C17 | C16 | C21 | 118.8° | 118.8° |
C16 | C17 | C18 | 118.9° | 118.9° |
C16 | C17 | H17 | 120.6° | 120.6° |
C16 | C21 | C20 | 122.4° | 122.4° |
C16 | C21 | H21 | 118.8° | 118.8° |
C17 | C18 | C19 | 122.0° | 122.0° |
C18 | C17 | H17 | 120.6° | 120.6° |
C17 | C18 | H18 | 119.0° | 119.0° |
C18 | C19 | C20 | 119.2° | 119.2° |
C18 | C19 | N22 | 121.3° | 121.3° |
C19 | C18 | H18 | 119.0° | 119.0° |
C20 | C19 | N22 | 119.5° | 119.5° |
C19 | C20 | C21 | 118.8° | 118.8° |
C19 | C20 | H20 | 120.6° | 120.6° |
C19 | N22 | C23 | 112.4° | 112.4° |
C19 | N22 | C27 | 110.8° | 110.8° |
C20 | C21 | H21 | 118.8° | 118.8° |
C21 | C20 | H20 | 120.6° | 120.6° |
C23 | N22 | C27 | 111.9° | 111.9° |
N22 | C23 | C24 | 108.4° | 108.4° |
N22 | C23 | H231 | 109.8° | 109.8° |
N22 | C23 | H232 | 110.1° | 110.1° |
N22 | C27 | C26 | 108.8° | 108.8° |
N22 | C27 | H271 | 109.7° | 109.7° |
N22 | C27 | H272 | 109.8° | 109.8° |
C23 | C24 | N25 | 108.7° | 108.7° |
C24 | C23 | H231 | 109.8° | 109.8° |
C24 | C23 | H232 | 110.1° | 110.0° |
C23 | C24 | H241 | 109.7° | 109.7° |
C23 | C24 | H242 | 109.9° | 109.9° |
C24 | N25 | C26 | 117.8° | 117.8° |
C24 | N25 | C28 | 122.0° | 122.0° |
N25 | C24 | H241 | 109.7° | 109.7° |
N25 | C24 | H242 | 109.9° | 109.9° |
C26 | N25 | C28 | 120.2° | 120.2° |
N25 | C26 | C27 | 106.2° | 106.2° |
N25 | C26 | H261 | 110.6° | 110.6° |
N25 | C26 | H262 | 111.3° | 111.3° |
N25 | C28 | O29 | 119.6° | 119.6° |
N25 | C28 | C30 | 120.4° | 120.4° |
C26 | C27 | H271 | 109.7° | 109.7° |
C26 | C27 | H272 | 109.9° | 109.9° |
C27 | C26 | H261 | 110.6° | 110.6° |
C27 | C26 | H262 | 111.3° | 111.3° |
O29 | C28 | C30 | 120.0° | 120.0° |
C28 | C30 | O31 | 111.7° | 111.7° |
C28 | C30 | H301 | 108.7° | 108.8° |
C28 | C30 | H302 | 108.3° | 108.3° |
O31 | C30 | H301 | 108.8° | 108.8° |
O31 | C30 | H302 | 108.2° | 108.2° |
C30 | O31 | H31 | 109.5° | 109.5° |
H1C1 | C1 | H1C2 | 109.5° | 109.4° |
H1C1 | C1 | H1C3 | 109.4° | 109.5° |
H1C2 | C1 | H1C3 | 109.5° | 109.5° |
H3C1 | C3 | H3C2 | 109.5° | 109.5° |
H3C1 | C3 | H3C3 | 109.4° | 109.4° |
H3C2 | C3 | H3C3 | 109.5° | 109.5° |
H6C1 | C6 | H6C2 | 109.4° | 109.4° |
H6C1 | C6 | H6C3 | 109.5° | 109.4° |
H6C2 | C6 | H6C3 | 109.5° | 109.5° |
H231 | C23 | H232 | 108.6° | 108.6° |
H271 | C27 | H272 | 108.9° | 108.9° |
H241 | C24 | H242 | 108.9° | 108.9° |
H261 | C26 | H262 | 106.9° | 106.9° |
H301 | C30 | H302 | 111.2° | 111.2° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | C2 | C3 | N4 | 122.8° | 122.8° |
C1 | C2 | C3 | H2 | 119.1° | 119.2° |
C1 | C2 | N4 | H2 | 119.1° | 119.1° |
C1 | C2 | N4 | C5 | 62.6° | 62.6° |
C1 | C2 | N4 | C9 | 115.2° | 115.2° |
C2 | C1 | H1C1 | H1C2 | 120.0° | 120.0° |
C2 | C1 | H1C1 | H1C3 | 120.0° | 120.0° |
C2 | C1 | H1C2 | H1C3 | 120.0° | 120.0° |
C1 | C2 | C3 | H3C1 | 166.2° | 166.2° |
C1 | C2 | C3 | H3C2 | 46.1° | 46.1° |
C1 | C2 | C3 | H3C3 | 73.9° | 73.9° |
C3 | C2 | N4 | H2 | 118.1° | 118.1° |
C3 | C2 | N4 | C5 | 60.1° | 60.1° |
C3 | C2 | N4 | C9 | 122.0° | 122.0° |
C3 | C2 | C1 | H1C1 | 94.8° | 94.9° |
C3 | C2 | C1 | H1C2 | 145.2° | 145.1° |
C3 | C2 | C1 | H1C3 | 25.1° | 25.1° |
C2 | C3 | H3C1 | H3C2 | 120.0° | 120.0° |
C2 | C3 | H3C1 | H3C3 | 120.0° | 120.0° |
C2 | C3 | H3C2 | H3C3 | 120.0° | 120.0° |
C2 | N4 | C5 | C9 | 178.2° | 178.2° |
C2 | N4 | C5 | C6 | 1.3° | 1.3° |
C2 | N4 | C5 | N7 | 178.1° | 178.1° |
C2 | N4 | C9 | C8 | 178.7° | 178.7° |
C2 | N4 | C9 | C10 | 2.1° | 2.1° |
N4 | C2 | C1 | H1C1 | 141.5° | 141.4° |
N4 | C2 | C1 | H1C2 | 21.5° | 21.5° |
N4 | C2 | C1 | H1C3 | 98.5° | 98.5° |
N4 | C2 | C3 | H3C1 | 71.0° | 71.0° |
N4 | C2 | C3 | H3C2 | 168.9° | 169.0° |
N4 | C2 | C3 | H3C3 | 49.0° | 49.0° |
N4 | C5 | C6 | N7 | 179.3° | 179.3° |
N4 | C5 | N7 | C8 | 0.7° | 0.7° |
C5 | N4 | C9 | C8 | 0.5° | 0.5° |
C5 | N4 | C9 | C10 | 179.7° | 179.7° |
C5 | N4 | C2 | H2 | 178.3° | 178.3° |
N4 | C5 | C6 | H6C1 | 73.1° | 73.1° |
N4 | C5 | C6 | H6C2 | 46.9° | 46.9° |
N4 | C5 | C6 | H6C3 | 166.9° | 166.9° |
C9 | N4 | C5 | C6 | 179.5° | 179.5° |
C9 | N4 | C5 | N7 | 0.1° | 0.1° |
N4 | C9 | C8 | N7 | 0.9° | 0.9° |
N4 | C9 | C8 | C10 | 179.2° | 179.2° |
N4 | C9 | C10 | C11 | 153.2° | 153.2° |
N4 | C9 | C10 | N32 | 25.9° | 25.9° |
C9 | N4 | C2 | H2 | 3.9° | 3.9° |
N4 | C9 | C8 | H8 | 179.1° | 179.1° |
C6 | C5 | N7 | C8 | 179.9° | 179.9° |
C5 | C6 | H6C1 | H6C2 | 120.0° | 120.0° |
C5 | C6 | H6C1 | H6C3 | 120.0° | 120.0° |
C5 | C6 | H6C2 | H6C3 | 120.0° | 120.0° |
C5 | N7 | C8 | C9 | 1.0° | 1.0° |
N7 | C5 | C6 | H6C1 | 107.6° | 107.6° |
N7 | C5 | C6 | H6C2 | 132.5° | 132.5° |
N7 | C5 | C6 | H6C3 | 12.4° | 12.4° |
C5 | N7 | C8 | H8 | 179.0° | 179.0° |
N7 | C8 | C9 | H8 | 180.0° | 180.0° |
N7 | C8 | C9 | C10 | 179.9° | 179.9° |
C8 | C9 | C10 | C11 | 27.7° | 27.7° |
C8 | C9 | C10 | N32 | 153.1° | 153.1° |
C9 | C10 | C11 | N32 | 179.1° | 179.1° |
C9 | C10 | C11 | C12 | 179.3° | 179.3° |
C9 | C10 | N32 | C14 | 179.4° | 179.4° |
C10 | C9 | C8 | H8 | 0.1° | 0.1° |
C9 | C10 | C11 | H11 | 0.7° | 0.7° |
C10 | C11 | C12 | H11 | 180.0° | 180.0° |
C10 | C11 | C12 | N13 | 0.9° | 0.9° |
C11 | C10 | N32 | C14 | 0.3° | 0.3° |
C10 | C11 | C12 | H12 | 179.1° | 179.1° |
N32 | C10 | C11 | C12 | 1.6° | 1.6° |
C10 | N32 | C14 | N13 | 1.8° | 1.8° |
C10 | N32 | C14 | N15 | 180.0° | 180.0° |
N32 | C10 | C11 | H11 | 178.4° | 178.4° |
C11 | C12 | N13 | H12 | 180.0° | 180.0° |
C11 | C12 | N13 | C14 | 1.1° | 1.1° |
C12 | N13 | C14 | N15 | 179.1° | 179.1° |
C12 | N13 | C14 | N32 | 2.5° | 2.5° |
N13 | C12 | C11 | H11 | 179.1° | 179.1° |
N13 | C14 | N15 | N32 | 178.3° | 178.3° |
N13 | C14 | N15 | C16 | 167.1° | 167.1° |
C14 | N13 | C12 | H12 | 178.9° | 178.9° |
N13 | C14 | N15 | H15 | 12.9° | 12.8° |
C14 | N15 | C16 | H15 | 180.0° | 180.0° |
C14 | N15 | C16 | C17 | 8.4° | 8.4° |
C14 | N15 | C16 | C21 | 172.9° | 172.9° |
N32 | C14 | N15 | C16 | 14.6° | 14.6° |
N32 | C14 | N15 | H15 | 165.4° | 165.5° |
N15 | C16 | C17 | C21 | 178.6° | 178.6° |
N15 | C16 | C17 | C18 | 179.8° | 179.8° |
N15 | C16 | C21 | C20 | 179.4° | 179.4° |
N15 | C16 | C17 | H17 | 0.2° | 0.2° |
N15 | C16 | C21 | H21 | 0.6° | 0.6° |
C16 | C17 | C18 | H17 | 180.0° | 180.0° |
C16 | C17 | C18 | C19 | 0.4° | 0.4° |
C17 | C16 | C21 | C20 | 1.8° | 1.8° |
C17 | C16 | N15 | H15 | 171.6° | 171.6° |
C17 | C16 | C21 | H21 | 178.2° | 178.2° |
C16 | C17 | C18 | H18 | 179.6° | 179.6° |
C21 | C16 | C17 | C18 | 1.6° | 1.6° |
C16 | C21 | C20 | C19 | 0.8° | 0.8° |
C16 | C21 | C20 | H21 | 180.0° | 180.0° |
C21 | C16 | N15 | H15 | 7.1° | 7.1° |
C21 | C16 | C17 | H17 | 178.4° | 178.4° |
C16 | C21 | C20 | H20 | 179.2° | 179.2° |
C17 | C18 | C19 | H18 | 180.0° | 180.0° |
C17 | C18 | C19 | C20 | 0.6° | 0.6° |
C17 | C18 | C19 | N22 | 178.3° | 178.3° |
C18 | C19 | C20 | N22 | 177.7° | 177.7° |
C18 | C19 | C20 | C21 | 0.4° | 0.4° |
C18 | C19 | N22 | C23 | 8.2° | 8.2° |
C18 | C19 | N22 | C27 | 134.3° | 134.3° |
C19 | C18 | C17 | H17 | 179.6° | 179.6° |
C18 | C19 | C20 | H20 | 179.6° | 179.6° |
C19 | C20 | C21 | H20 | 180.0° | 180.0° |
C20 | C19 | N22 | C23 | 174.2° | 174.2° |
C20 | C19 | N22 | C27 | 48.1° | 48.1° |
C19 | C20 | C21 | H21 | 179.2° | 179.2° |
C20 | C19 | C18 | H18 | 179.4° | 179.4° |
N22 | C19 | C20 | C21 | 178.1° | 178.1° |
C19 | N22 | C23 | C27 | 125.5° | 125.5° |
C19 | N22 | C23 | C24 | 171.9° | 171.9° |
C19 | N22 | C27 | C26 | 168.7° | 168.7° |
N22 | C19 | C18 | H18 | 1.8° | 1.8° |
N22 | C19 | C20 | H20 | 1.9° | 1.9° |
C19 | N22 | C23 | H231 | 51.9° | 51.9° |
C19 | N22 | C23 | H232 | 67.6° | 67.7° |
C19 | N22 | C27 | H271 | 71.3° | 71.3° |
C19 | N22 | C27 | H272 | 48.4° | 48.4° |
N22 | C23 | C24 | H231 | 120.0° | 120.0° |
N22 | C23 | C24 | H232 | 120.4° | 120.4° |
N22 | C23 | C24 | N25 | 53.4° | 53.4° |
C23 | N22 | C27 | C26 | 64.9° | 64.9° |
N22 | C23 | H231 | H232 | 120.4° | 120.5° |
C23 | N22 | C27 | H271 | 55.1° | 55.1° |
C23 | N22 | C27 | H272 | 174.8° | 174.8° |
N22 | C23 | C24 | H241 | 66.6° | 66.6° |
N22 | C23 | C24 | H242 | 173.7° | 173.7° |
C27 | N22 | C23 | C24 | 62.6° | 62.6° |
N22 | C27 | C26 | N25 | 56.6° | 56.6° |
N22 | C27 | C26 | H271 | 120.0° | 120.0° |
N22 | C27 | C26 | H272 | 120.3° | 120.3° |
C27 | N22 | C23 | H231 | 177.4° | 177.4° |
C27 | N22 | C23 | H232 | 57.9° | 57.8° |
N22 | C27 | H271 | H272 | 120.3° | 120.3° |
N22 | C27 | C26 | H261 | 63.4° | 63.4° |
N22 | C27 | C26 | H262 | 177.9° | 177.9° |
C23 | C24 | N25 | H241 | 120.0° | 120.0° |
C23 | C24 | N25 | H242 | 120.3° | 120.3° |
C23 | C24 | N25 | C26 | 54.1° | 54.1° |
C23 | C24 | N25 | C28 | 126.1° | 126.1° |
C24 | C23 | H231 | H232 | 120.5° | 120.4° |
C23 | C24 | H241 | H242 | 120.3° | 120.3° |
C24 | N25 | C26 | C28 | 179.7° | 179.7° |
C24 | N25 | C26 | C27 | 54.8° | 54.8° |
C24 | N25 | C28 | O29 | 178.1° | 178.1° |
C24 | N25 | C28 | C30 | 1.2° | 1.2° |
N25 | C24 | C23 | H231 | 173.4° | 173.4° |
N25 | C24 | C23 | H232 | 67.0° | 67.0° |
N25 | C24 | H241 | H242 | 120.3° | 120.3° |
C24 | N25 | C26 | H261 | 65.2° | 65.2° |
C24 | N25 | C26 | H262 | 176.1° | 176.1° |
N25 | C26 | C27 | H261 | 120.0° | 120.0° |
N25 | C26 | C27 | H262 | 121.3° | 121.3° |
C26 | N25 | C28 | O29 | 1.6° | 1.6° |
C26 | N25 | C28 | C30 | 179.1° | 179.1° |
N25 | C26 | C27 | H271 | 63.4° | 63.4° |
N25 | C26 | C27 | H272 | 176.9° | 176.9° |
C26 | N25 | C24 | H241 | 65.9° | 65.9° |
C26 | N25 | C24 | H242 | 174.4° | 174.4° |
N25 | C26 | H261 | H262 | 121.4° | 121.4° |
C28 | N25 | C26 | C27 | 125.4° | 125.4° |
N25 | C28 | O29 | C30 | 179.3° | 179.3° |
N25 | C28 | C30 | O31 | 176.6° | 176.6° |
C28 | N25 | C24 | H241 | 113.9° | 113.9° |
C28 | N25 | C24 | H242 | 5.9° | 5.9° |
C28 | N25 | C26 | H261 | 114.6° | 114.6° |
C28 | N25 | C26 | H262 | 4.2° | 4.2° |
N25 | C28 | C30 | H301 | 56.6° | 56.6° |
N25 | C28 | C30 | H302 | 64.3° | 64.3° |
C26 | C27 | H271 | H272 | 120.3° | 120.3° |
C27 | C26 | H261 | H262 | 121.3° | 121.3° |
O29 | C28 | C30 | O31 | 2.7° | 2.7° |
O29 | C28 | C30 | H301 | 122.7° | 122.7° |
O29 | C28 | C30 | H302 | 116.4° | 116.4° |
C28 | C30 | O31 | H301 | 120.0° | 120.0° |
C28 | C30 | O31 | H302 | 119.1° | 119.1° |
C28 | C30 | H301 | H302 | 119.1° | 119.1° |
C28 | C30 | O31 | H31 | 24.8° | 24.8° |
O31 | C30 | H301 | H302 | 119.1° | 119.1° |
H1C1 | C1 | H1C2 | H1C3 | 120.0° | 120.0° |
H1C1 | C1 | C2 | H2 | 23.4° | 23.3° |
H1C2 | C1 | C2 | H2 | 96.7° | 96.7° |
H1C3 | C1 | C2 | H2 | 143.3° | 143.3° |
H2 | C2 | C3 | H3C1 | 47.1° | 47.0° |
H2 | C2 | C3 | H3C2 | 73.0° | 73.0° |
H2 | C2 | C3 | H3C3 | 167.0° | 167.0° |
H3C1 | C3 | H3C2 | H3C3 | 119.9° | 120.0° |
H6C1 | C6 | H6C2 | H6C3 | 120.0° | 120.0° |
H11 | C11 | C12 | H12 | 0.9° | 0.9° |
H17 | C17 | C18 | H18 | 0.4° | 0.4° |
H21 | C21 | C20 | H20 | 0.8° | 0.8° |
H231 | C23 | C24 | H241 | 53.4° | 53.4° |
H231 | C23 | C24 | H242 | 66.3° | 66.3° |
H232 | C23 | C24 | H241 | 173.0° | 173.0° |
H232 | C23 | C24 | H242 | 53.3° | 53.3° |
H271 | C27 | C26 | H261 | 176.6° | 176.6° |
H271 | C27 | C26 | H262 | 57.9° | 57.9° |
H272 | C27 | C26 | H261 | 56.9° | 56.9° |
H272 | C27 | C26 | H262 | 61.8° | 61.8° |
H301 | C30 | O31 | H31 | 144.8° | 144.8° |
H302 | C30 | O31 | H31 | 94.3° | 94.3° |