YU6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | N2 | sing | 1.47Å | 1.46Å | |
C1 | C15 | sing | 1.51Å | 1.50Å | |
N2 | C3 | sing | 1.47Å | 1.46Å | |
N2 | C7 | sing | 1.47Å | 1.46Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C4 | N5 | sing | 1.47Å | 1.49Å | |
N5 | C6 | sing | 1.47Å | 1.49Å | |
N5 | C8 | sing | 1.47Å | 1.48Å | |
C6 | C7 | sing | 1.53Å | 1.52Å | |
C8 | C9 | sing | 1.51Å | 1.51Å | |
C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
C9 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
C15 | N16 | sing | 1.36Å | 1.35Å | Aromatic |
C15 | N19 | doub | 1.30Å | 1.32Å | Aromatic |
N16 | C17 | sing | 1.37Å | 1.38Å | Aromatic |
C17 | C18 | doub | 1.40Å | 1.40Å | Aromatic |
C17 | C31 | sing | 1.40Å | 1.41Å | Aromatic |
C18 | N19 | sing | 1.36Å | 1.39Å | Aromatic |
C18 | C20 | sing | 1.40Å | 1.40Å | Aromatic |
C20 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
C21 | C22 | sing | 1.48Å | 1.49Å | |
C21 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
C22 | C23 | doub | 1.39Å | 1.41Å | Aromatic |
C22 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
C23 | CL24 | sing | 1.74Å | 1.74Å | |
C23 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
C26 | C27 | sing | 1.51Å | 1.51Å | |
C26 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
C30 | C31 | doub | 1.39Å | 1.40Å | Aromatic |
C31 | C32 | sing | 1.47Å | 1.51Å | |
C32 | O33 | doub | 1.21Å | 1.25Å | |
C32 | O34 | sing | 1.35Å | 1.26Å | |
C10 | H47 | sing | 1.08Å | 1.08Å | |
C11 | H48 | sing | 1.08Å | 1.08Å | |
C13 | H50 | sing | 1.08Å | 1.08Å | |
C20 | H53 | sing | 1.08Å | 1.08Å | |
C25 | H54 | sing | 1.08Å | 1.08Å | |
C27 | H56 | sing | 1.09Å | 1.10Å | |
C27 | H57 | sing | 1.09Å | 1.10Å | |
C27 | H55 | sing | 1.09Å | 1.10Å | |
C28 | H58 | sing | 1.08Å | 1.08Å | |
C1 | H35 | sing | 1.09Å | 1.10Å | |
C1 | H36 | sing | 1.09Å | 1.10Å | |
C12 | H49 | sing | 1.08Å | 1.08Å | |
C14 | H51 | sing | 1.08Å | 1.08Å | |
C29 | H59 | sing | 1.08Å | 1.08Å | |
C3 | H38 | sing | 1.09Å | 1.10Å | |
C3 | H37 | sing | 1.09Å | 1.10Å | |
C30 | H60 | sing | 1.08Å | 1.08Å | |
C4 | H39 | sing | 1.09Å | 1.10Å | |
C4 | H40 | sing | 1.09Å | 1.10Å | |
C6 | H42 | sing | 1.09Å | 1.10Å | |
C6 | H41 | sing | 1.09Å | 1.10Å | |
C7 | H44 | sing | 1.09Å | 1.10Å | |
C7 | H43 | sing | 1.09Å | 1.10Å | |
C8 | H45 | sing | 1.09Å | 1.10Å | |
C8 | H46 | sing | 1.09Å | 1.10Å | |
N16 | H52 | sing | 0.97Å | 1.00Å | |
O34 | H4 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N2 | C1 | C15 | 110.7° | 109.4° |
C1 | N2 | C3 | 113.4° | 111.0° |
C1 | N2 | C7 | 112.7° | 111.0° |
N2 | C1 | H35 | 109.1° | 109.5° |
N2 | C1 | H36 | 109.2° | 109.4° |
C1 | C15 | N16 | 121.8° | 125.0° |
C1 | C15 | N19 | 124.3° | 125.0° |
C15 | C1 | H35 | 109.2° | 109.5° |
C15 | C1 | H36 | 109.2° | 109.5° |
C3 | N2 | C7 | 108.0° | 110.8° |
N2 | C3 | C4 | 109.7° | 109.4° |
N2 | C3 | H38 | 109.4° | 109.5° |
N2 | C3 | H37 | 109.4° | 109.5° |
N2 | C7 | C6 | 108.8° | 109.4° |
N2 | C7 | H44 | 109.6° | 109.5° |
N2 | C7 | H43 | 109.6° | 109.5° |
C3 | C4 | N5 | 112.2° | 109.4° |
C4 | C3 | H38 | 109.4° | 109.5° |
C4 | C3 | H37 | 109.4° | 109.5° |
C3 | C4 | H39 | 108.8° | 109.5° |
C3 | C4 | H40 | 108.8° | 109.5° |
C4 | N5 | C6 | 112.1° | 110.9° |
C4 | N5 | C8 | 110.7° | 111.0° |
N5 | C4 | H39 | 108.8° | 109.5° |
N5 | C4 | H40 | 108.8° | 109.5° |
C6 | N5 | C8 | 110.9° | 111.0° |
N5 | C6 | C7 | 111.5° | 109.4° |
N5 | C6 | H42 | 109.0° | 109.5° |
N5 | C6 | H41 | 109.0° | 109.5° |
N5 | C8 | C9 | 114.0° | 109.5° |
N5 | C8 | H45 | 108.3° | 109.4° |
N5 | C8 | H46 | 108.3° | 109.5° |
C7 | C6 | H42 | 109.0° | 109.5° |
C7 | C6 | H41 | 109.0° | 109.5° |
C6 | C7 | H44 | 109.6° | 109.5° |
C6 | C7 | H43 | 109.6° | 109.5° |
C8 | C9 | C10 | 120.6° | 120.0° |
C8 | C9 | C14 | 120.7° | 120.0° |
C9 | C8 | H45 | 108.3° | 109.5° |
C9 | C8 | H46 | 108.3° | 109.5° |
C10 | C9 | C14 | 118.5° | 120.0° |
C9 | C10 | C11 | 120.8° | 120.0° |
C9 | C10 | H47 | 119.6° | 120.0° |
C9 | C14 | C13 | 120.7° | 120.0° |
C9 | C14 | H51 | 119.7° | 120.1° |
C10 | C11 | C12 | 120.1° | 120.0° |
C11 | C10 | H47 | 119.6° | 120.0° |
C10 | C11 | H48 | 119.9° | 120.0° |
C11 | C12 | C13 | 119.7° | 120.0° |
C12 | C11 | H48 | 119.9° | 120.0° |
C11 | C12 | H49 | 120.1° | 120.0° |
C12 | C13 | C14 | 120.2° | 120.0° |
C12 | C13 | H50 | 119.9° | 120.0° |
C13 | C12 | H49 | 120.2° | 120.0° |
C14 | C13 | H50 | 119.9° | 120.0° |
C13 | C14 | H51 | 119.7° | 120.0° |
N16 | C15 | N19 | 112.8° | 110.0° |
C15 | N16 | C17 | 107.2° | 107.4° |
C15 | N16 | H52 | 126.4° | 126.3° |
C15 | N19 | C18 | 105.1° | 109.5° |
N16 | C17 | C18 | 105.4° | 106.1° |
N16 | C17 | C31 | 134.7° | 133.9° |
C17 | N16 | H52 | 126.4° | 126.3° |
C18 | C17 | C31 | 119.9° | 120.0° |
C17 | C18 | N19 | 109.4° | 106.9° |
C17 | C18 | C20 | 120.6° | 119.7° |
C17 | C31 | C30 | 118.6° | 119.7° |
C17 | C31 | C32 | 123.4° | 120.1° |
N19 | C18 | C20 | 130.0° | 133.4° |
C18 | C20 | C21 | 119.7° | 120.1° |
C18 | C20 | H53 | 120.2° | 120.0° |
C20 | C21 | C22 | 119.9° | 119.8° |
C20 | C21 | C30 | 119.3° | 120.4° |
C21 | C20 | H53 | 120.2° | 119.9° |
C22 | C21 | C30 | 120.2° | 119.8° |
C21 | C22 | C23 | 122.4° | 120.1° |
C21 | C22 | C29 | 120.0° | 120.1° |
C21 | C30 | C31 | 120.8° | 120.2° |
C21 | C30 | H60 | 119.6° | 119.9° |
C23 | C22 | C29 | 117.6° | 119.7° |
C22 | C23 | CL24 | 119.8° | 120.1° |
C22 | C23 | C25 | 121.7° | 119.9° |
C22 | C29 | C28 | 120.3° | 119.9° |
C22 | C29 | H59 | 119.8° | 120.1° |
CL24 | C23 | C25 | 118.5° | 120.1° |
C23 | C25 | C26 | 120.2° | 120.1° |
C23 | C25 | H54 | 119.9° | 119.9° |
C25 | C26 | C27 | 120.8° | 119.9° |
C25 | C26 | C28 | 118.6° | 120.3° |
C26 | C25 | H54 | 119.9° | 120.0° |
C27 | C26 | C28 | 120.7° | 119.9° |
C26 | C27 | H56 | 109.5° | 109.5° |
C26 | C27 | H57 | 109.4° | 109.5° |
C26 | C27 | H55 | 109.4° | 109.5° |
C26 | C28 | C29 | 121.6° | 120.1° |
C26 | C28 | H58 | 119.2° | 119.9° |
C29 | C28 | H58 | 119.2° | 119.9° |
C28 | C29 | H59 | 119.8° | 120.1° |
C30 | C31 | C32 | 117.8° | 120.2° |
C31 | C30 | H60 | 119.6° | 119.9° |
C31 | C32 | O33 | 117.2° | 120.0° |
C31 | C32 | O34 | 118.6° | 120.0° |
O33 | C32 | O34 | 124.2° | 120.0° |
C32 | O34 | H4 | 109.5° | 117.0° |
H56 | C27 | H57 | 109.5° | 109.4° |
H56 | C27 | H55 | 109.5° | 109.5° |
H57 | C27 | H55 | 109.5° | 109.5° |
H35 | C1 | H36 | 109.5° | 109.5° |
H38 | C3 | H37 | 109.5° | 109.5° |
H39 | C4 | H40 | 109.5° | 109.5° |
H42 | C6 | H41 | 109.5° | 109.5° |
H44 | C7 | H43 | 109.5° | 109.5° |
H45 | C8 | H46 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N2 | C1 | C15 | H35 | 120.2° | 120.0° |
N2 | C1 | C15 | H36 | 120.2° | 119.9° |
C1 | N2 | C3 | C7 | 125.6° | 123.9° |
C1 | N2 | C3 | C4 | 170.6° | 176.8° |
C1 | N2 | C7 | C6 | 167.4° | 176.8° |
N2 | C1 | C15 | N16 | 59.6° | 95.0° |
N2 | C1 | C15 | N19 | 107.5° | 85.3° |
N2 | C1 | H35 | H36 | 119.5° | 119.9° |
C1 | N2 | C3 | H38 | 69.4° | 56.9° |
C1 | N2 | C3 | H37 | 50.6° | 63.2° |
C1 | N2 | C7 | H44 | 47.5° | 63.2° |
C1 | N2 | C7 | H43 | 72.7° | 56.8° |
C15 | C1 | N2 | C3 | 169.5° | 170.0° |
C15 | C1 | N2 | C7 | 67.4° | 66.2° |
C1 | C15 | N16 | N19 | 168.4° | 179.7° |
C1 | C15 | N16 | C17 | 172.5° | 179.7° |
C1 | C15 | N19 | C18 | 170.5° | 179.7° |
C15 | C1 | H35 | H36 | 119.4° | 120.1° |
C1 | C15 | N16 | H52 | 7.5° | 0.3° |
N2 | C3 | C4 | H38 | 120.0° | 119.9° |
N2 | C3 | C4 | H37 | 120.0° | 120.0° |
N2 | C3 | C4 | N5 | 54.3° | 58.4° |
C3 | N2 | C7 | C6 | 66.6° | 59.3° |
C3 | N2 | C1 | H35 | 49.3° | 70.0° |
C3 | N2 | C1 | H36 | 70.3° | 50.0° |
N2 | C3 | H38 | H37 | 119.9° | 120.0° |
N2 | C3 | C4 | H39 | 174.7° | 178.4° |
N2 | C3 | C4 | H40 | 66.1° | 61.6° |
C3 | N2 | C7 | H44 | 173.5° | 60.7° |
C3 | N2 | C7 | H43 | 53.4° | 179.3° |
C7 | N2 | C3 | C4 | 63.8° | 59.3° |
N2 | C7 | C6 | N5 | 59.7° | 58.4° |
N2 | C7 | C6 | H44 | 119.9° | 120.0° |
N2 | C7 | C6 | H43 | 119.9° | 120.0° |
C7 | N2 | C1 | H35 | 172.4° | 53.8° |
C7 | N2 | C1 | H36 | 52.7° | 173.8° |
C7 | N2 | C3 | H38 | 56.2° | 179.3° |
C7 | N2 | C3 | H37 | 176.2° | 60.7° |
N2 | C7 | C6 | H42 | 180.0° | 61.5° |
N2 | C7 | C6 | H41 | 60.6° | 178.4° |
N2 | C7 | H44 | H43 | 120.3° | 120.1° |
C3 | C4 | N5 | H39 | 120.4° | 120.0° |
C3 | C4 | N5 | H40 | 120.4° | 120.0° |
C3 | C4 | N5 | C6 | 47.2° | 59.3° |
C3 | C4 | N5 | C8 | 171.6° | 176.8° |
C4 | C3 | H38 | H37 | 119.9° | 120.1° |
C3 | C4 | H39 | H40 | 118.7° | 120.1° |
C4 | N5 | C6 | C8 | 124.3° | 123.9° |
C4 | N5 | C6 | C7 | 49.8° | 59.3° |
C4 | N5 | C8 | C9 | 177.5° | 170.0° |
N5 | C4 | C3 | H38 | 65.7° | 178.4° |
N5 | C4 | C3 | H37 | 174.4° | 61.6° |
N5 | C4 | H39 | H40 | 118.8° | 120.0° |
C4 | N5 | C6 | H42 | 170.1° | 60.6° |
C4 | N5 | C6 | H41 | 70.5° | 179.3° |
C4 | N5 | C8 | H45 | 56.9° | 70.0° |
C4 | N5 | C8 | H46 | 61.8° | 50.0° |
N5 | C6 | C7 | H42 | 120.3° | 119.9° |
N5 | C6 | C7 | H41 | 120.3° | 120.0° |
C6 | N5 | C8 | C9 | 57.3° | 66.2° |
C6 | N5 | C4 | H39 | 167.6° | 179.3° |
C6 | N5 | C4 | H40 | 73.2° | 60.7° |
N5 | C6 | H42 | H41 | 119.1° | 120.1° |
N5 | C6 | C7 | H44 | 179.6° | 61.6° |
N5 | C6 | C7 | H43 | 60.2° | 178.4° |
C6 | N5 | C8 | H45 | 178.0° | 53.8° |
C6 | N5 | C8 | H46 | 63.4° | 173.8° |
C8 | N5 | C6 | C7 | 174.2° | 176.8° |
N5 | C8 | C9 | H45 | 120.7° | 120.0° |
N5 | C8 | C9 | H46 | 120.7° | 120.0° |
N5 | C8 | C9 | C10 | 77.3° | 90.0° |
N5 | C8 | C9 | C14 | 97.3° | 90.0° |
C8 | N5 | C4 | H39 | 68.0° | 56.8° |
C8 | N5 | C4 | H40 | 51.2° | 63.2° |
C8 | N5 | C6 | H42 | 65.5° | 63.2° |
C8 | N5 | C6 | H41 | 53.9° | 56.8° |
N5 | C8 | H45 | H46 | 117.9° | 120.0° |
C7 | C6 | H42 | H41 | 119.1° | 120.0° |
C6 | C7 | H44 | H43 | 120.3° | 120.0° |
C8 | C9 | C10 | C14 | 174.7° | 180.0° |
C8 | C9 | C10 | C11 | 176.4° | 180.0° |
C8 | C9 | C14 | C13 | 177.1° | 179.4° |
C8 | C9 | C10 | H47 | 3.5° | 0.3° |
C8 | C9 | C14 | H51 | 2.9° | 0.5° |
C9 | C8 | H45 | H46 | 117.9° | 120.0° |
C9 | C10 | C11 | H47 | 180.0° | 179.6° |
C9 | C10 | C11 | C12 | 0.1° | 0.3° |
C10 | C9 | C14 | C13 | 2.3° | 0.6° |
C9 | C10 | C11 | H48 | 179.9° | 179.7° |
C10 | C9 | C14 | H51 | 177.7° | 179.4° |
C10 | C9 | C8 | H45 | 43.4° | 150.0° |
C10 | C9 | C8 | H46 | 162.0° | 30.0° |
C14 | C9 | C10 | C11 | 1.7° | 0.0° |
C9 | C14 | C13 | C12 | 1.4° | 0.9° |
C9 | C14 | C13 | H51 | 180.0° | 180.0° |
C14 | C9 | C10 | H47 | 178.3° | 179.6° |
C9 | C14 | C13 | H50 | 178.6° | 180.0° |
C14 | C9 | C8 | H45 | 142.0° | 29.9° |
C14 | C9 | C8 | H46 | 23.3° | 150.0° |
C10 | C11 | C12 | H48 | 180.0° | 179.9° |
C10 | C11 | C12 | C13 | 0.9° | 0.1° |
C10 | C11 | C12 | H49 | 179.1° | 179.9° |
C11 | C12 | C13 | H49 | 180.0° | 180.0° |
C11 | C12 | C13 | C14 | 0.2° | 0.5° |
C12 | C11 | C10 | H47 | 179.9° | 180.0° |
C11 | C12 | C13 | H50 | 179.7° | 179.7° |
C12 | C13 | C14 | H50 | 180.0° | 179.1° |
C13 | C12 | C11 | H48 | 179.1° | 180.0° |
C12 | C13 | C14 | H51 | 178.6° | 179.2° |
C14 | C13 | C12 | H49 | 179.8° | 179.4° |
C15 | N16 | C17 | H52 | 180.0° | 180.0° |
C15 | N16 | C17 | C18 | 3.8° | 0.0° |
C15 | N16 | C17 | C31 | 175.1° | 180.0° |
N16 | C15 | N19 | C18 | 2.4° | 0.0° |
N16 | C15 | C1 | H35 | 60.6° | 144.9° |
N16 | C15 | C1 | H36 | 179.8° | 24.9° |
N19 | C15 | N16 | C17 | 4.0° | 0.0° |
C15 | N19 | C18 | C17 | 0.1° | 0.0° |
C15 | N19 | C18 | C20 | 176.5° | 180.0° |
N19 | C15 | C1 | H35 | 132.3° | 34.7° |
N19 | C15 | C1 | H36 | 12.7° | 154.7° |
N19 | C15 | N16 | H52 | 175.9° | 180.0° |
N16 | C17 | C18 | C31 | 179.1° | 180.0° |
N16 | C17 | C18 | N19 | 2.4° | 0.0° |
N16 | C17 | C18 | C20 | 179.2° | 180.0° |
N16 | C17 | C31 | C30 | 173.0° | 180.0° |
N16 | C17 | C31 | C32 | 1.3° | 0.0° |
C17 | C18 | N19 | C20 | 176.4° | 180.0° |
C17 | C18 | C20 | C21 | 0.0° | 0.0° |
C18 | C17 | C31 | C30 | 5.8° | 0.0° |
C18 | C17 | C31 | C32 | 179.9° | 180.0° |
C17 | C18 | C20 | H53 | 180.0° | 180.0° |
C18 | C17 | N16 | H52 | 176.2° | 180.0° |
C31 | C17 | C18 | N19 | 176.7° | 180.0° |
C31 | C17 | C18 | C20 | 0.1° | 0.0° |
C17 | C31 | C30 | C21 | 12.0° | 0.0° |
C17 | C31 | C30 | C32 | 174.7° | 180.0° |
C17 | C31 | C32 | O33 | 0.1° | 0.0° |
C17 | C31 | C32 | O34 | 178.0° | 180.0° |
C17 | C31 | C30 | H60 | 168.0° | 179.9° |
C31 | C17 | N16 | H52 | 4.9° | 0.0° |
N19 | C18 | C20 | C21 | 176.1° | 180.0° |
N19 | C18 | C20 | H53 | 3.9° | 0.1° |
C18 | C20 | C21 | H53 | 180.0° | 179.9° |
C18 | C20 | C21 | C22 | 177.8° | 180.0° |
C18 | C20 | C21 | C30 | 6.1° | 0.0° |
C20 | C21 | C22 | C30 | 171.7° | 180.0° |
C20 | C21 | C22 | C23 | 79.9° | 50.0° |
C20 | C21 | C22 | C29 | 99.9° | 129.8° |
C20 | C21 | C30 | C31 | 12.3° | 0.0° |
C20 | C21 | C30 | H60 | 167.7° | 179.9° |
C21 | C22 | C23 | C29 | 179.8° | 179.8° |
C21 | C22 | C23 | CL24 | 1.7° | 0.0° |
C21 | C22 | C23 | C25 | 179.2° | 180.0° |
C21 | C22 | C29 | C28 | 180.0° | 179.7° |
C22 | C21 | C30 | C31 | 176.0° | 180.0° |
C22 | C21 | C20 | H53 | 2.2° | 0.1° |
C21 | C22 | C29 | H59 | 0.0° | 0.0° |
C22 | C21 | C30 | H60 | 4.0° | 0.0° |
C30 | C21 | C22 | C23 | 91.7° | 130.0° |
C30 | C21 | C22 | C29 | 88.4° | 50.2° |
C21 | C30 | C31 | H60 | 180.0° | 180.0° |
C21 | C30 | C31 | C32 | 173.3° | 180.0° |
C30 | C21 | C20 | H53 | 173.9° | 180.0° |
C22 | C23 | CL24 | C25 | 179.1° | 180.0° |
C22 | C23 | C25 | C26 | 1.6° | 0.0° |
C23 | C22 | C29 | C28 | 0.1° | 0.5° |
C22 | C23 | C25 | H54 | 178.4° | 179.9° |
C23 | C22 | C29 | H59 | 179.9° | 179.7° |
C29 | C22 | C23 | CL24 | 178.1° | 179.8° |
C29 | C22 | C23 | C25 | 0.9° | 0.2° |
C22 | C29 | C28 | C26 | 0.1° | 0.5° |
C22 | C29 | C28 | H59 | 180.0° | 179.8° |
C22 | C29 | C28 | H58 | 180.0° | 179.7° |
CL24 | C23 | C25 | C26 | 177.5° | 179.9° |
CL24 | C23 | C25 | H54 | 2.5° | 0.1° |
C23 | C25 | C26 | H54 | 180.0° | 180.0° |
C23 | C25 | C26 | C27 | 180.0° | 180.0° |
C23 | C25 | C26 | C28 | 1.4° | 0.0° |
C25 | C26 | C27 | C28 | 178.6° | 179.9° |
C25 | C26 | C28 | C29 | 0.6° | 0.2° |
C25 | C26 | C27 | H56 | 90.7° | 90.0° |
C25 | C26 | C27 | H57 | 149.3° | 150.0° |
C25 | C26 | C27 | H55 | 29.3° | 30.0° |
C25 | C26 | C28 | H58 | 179.4° | 180.0° |
C27 | C26 | C28 | C29 | 179.2° | 179.7° |
C27 | C26 | C25 | H54 | 0.0° | 0.0° |
C26 | C27 | H56 | H57 | 120.0° | 120.0° |
C26 | C27 | H56 | H55 | 120.0° | 120.1° |
C26 | C27 | H57 | H55 | 120.0° | 120.0° |
C27 | C26 | C28 | H58 | 0.8° | 0.1° |
C26 | C28 | C29 | H58 | 180.0° | 179.8° |
C28 | C26 | C25 | H54 | 178.6° | 179.9° |
C28 | C26 | C27 | H56 | 90.7° | 89.9° |
C28 | C26 | C27 | H57 | 29.3° | 30.0° |
C28 | C26 | C27 | H55 | 149.3° | 150.0° |
C26 | C28 | C29 | H59 | 179.9° | 179.7° |
C30 | C31 | C32 | O33 | 174.3° | 180.0° |
C30 | C31 | C32 | O34 | 3.6° | 0.0° |
C31 | C32 | O33 | O34 | 177.7° | 179.9° |
C32 | C31 | C30 | H60 | 6.7° | 0.1° |
C31 | C32 | O34 | H4 | 177.7° | 180.0° |
O33 | C32 | O34 | H4 | 0.0° | 0.1° |
H47 | C10 | C11 | H48 | 0.1° | 0.1° |
H48 | C11 | C12 | H49 | 0.9° | 0.0° |
H50 | C13 | C12 | H49 | 0.3° | 0.3° |
H50 | C13 | C14 | H51 | 1.4° | 0.0° |
H56 | C27 | H57 | H55 | 120.1° | 119.9° |
H58 | C28 | C29 | H59 | 0.0° | 0.0° |
H38 | C3 | C4 | H39 | 54.7° | 61.7° |
H38 | C3 | C4 | H40 | 173.9° | 58.3° |
H37 | C3 | C4 | H39 | 65.2° | 58.4° |
H37 | C3 | C4 | H40 | 53.9° | 178.4° |
H42 | C6 | C7 | H44 | 60.1° | 178.5° |
H42 | C6 | C7 | H43 | 60.1° | 58.5° |
H41 | C6 | C7 | H44 | 59.3° | 58.4° |
H41 | C6 | C7 | H43 | 179.5° | 61.6° |