YW7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N30 | O29 | sing | 1.21Å | 1.40Å | Aromatic |
N30 | C31 | doub | 1.30Å | 1.35Å | Aromatic |
O29 | C28 | sing | 1.34Å | 1.37Å | Aromatic |
C31 | C32 | sing | 1.51Å | 1.47Å | |
C31 | C15 | sing | 1.42Å | 1.43Å | Aromatic |
C28 | C33 | sing | 1.51Å | 1.47Å | |
C28 | C15 | doub | 1.37Å | 1.38Å | Aromatic |
N26 | C14 | sing | 1.35Å | 1.38Å | |
C15 | C11 | sing | 1.48Å | 1.43Å | |
O27 | C14 | doub | 1.22Å | 1.23Å | |
C14 | C13 | sing | 1.48Å | 1.48Å | |
C12 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
C11 | C10 | sing | 1.39Å | 1.37Å | Aromatic |
C13 | C9 | doub | 1.41Å | 1.42Å | Aromatic |
C10 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
C9 | C8 | sing | 1.40Å | 1.44Å | Aromatic |
C9 | C5 | sing | 1.47Å | 1.45Å | Aromatic |
C37 | C38 | doub | 1.38Å | 1.41Å | Aromatic |
C37 | C36 | sing | 1.38Å | 1.41Å | Aromatic |
C8 | N7 | sing | 1.38Å | 1.41Å | Aromatic |
C38 | C39 | sing | 1.38Å | 1.42Å | Aromatic |
C36 | C35 | doub | 1.38Å | 1.41Å | Aromatic |
C5 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
C5 | C4 | sing | 1.40Å | 1.43Å | Aromatic |
C6 | C1 | sing | 1.38Å | 1.41Å | Aromatic |
C39 | C34 | doub | 1.38Å | 1.43Å | Aromatic |
C35 | C34 | sing | 1.38Å | 1.42Å | Aromatic |
N7 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
N7 | C19 | sing | 1.46Å | 1.49Å | |
C34 | C19 | sing | 1.51Å | 1.54Å | |
C4 | C3 | doub | 1.39Å | 1.42Å | Aromatic |
C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
C19 | C20 | sing | 1.53Å | 1.54Å | |
C3 | C2 | sing | 1.38Å | 1.42Å | Aromatic |
C2 | C16 | sing | 1.51Å | 1.54Å | |
C20 | C21 | sing | 1.53Å | 1.53Å | |
C20 | C25 | sing | 1.53Å | 1.53Å | |
C21 | C22 | sing | 1.53Å | 1.51Å | |
C40 | C16 | sing | 1.53Å | 1.52Å | |
C16 | C17 | sing | 1.53Å | 1.52Å | |
C16 | O18 | sing | 1.43Å | 1.43Å | |
C25 | C24 | sing | 1.53Å | 1.51Å | |
C22 | O23 | sing | 1.43Å | 1.43Å | |
C24 | O23 | sing | 1.43Å | 1.42Å | |
C17 | H46 | sing | 1.09Å | 1.10Å | |
C17 | H47 | sing | 1.09Å | 1.10Å | |
C17 | H48 | sing | 1.09Å | 1.10Å | |
C19 | H50 | sing | 1.09Å | 1.10Å | |
C20 | H51 | sing | 1.09Å | 1.10Å | |
C21 | H52 | sing | 1.09Å | 1.10Å | |
C21 | H53 | sing | 1.09Å | 1.10Å | |
C22 | H55 | sing | 1.09Å | 1.10Å | |
C22 | H54 | sing | 1.09Å | 1.10Å | |
C24 | H56 | sing | 1.09Å | 1.10Å | |
C24 | H57 | sing | 1.09Å | 1.10Å | |
C12 | H45 | sing | 1.08Å | 1.08Å | |
C33 | H65 | sing | 1.09Å | 1.10Å | |
C33 | H66 | sing | 1.09Å | 1.10Å | |
C33 | H67 | sing | 1.09Å | 1.10Å | |
C1 | H41 | sing | 1.08Å | 1.08Å | |
C3 | H42 | sing | 1.08Å | 1.08Å | |
C6 | H43 | sing | 1.08Å | 1.08Å | |
C10 | H44 | sing | 1.08Å | 1.08Å | |
O18 | H49 | sing | 0.97Å | 0.95Å | |
C25 | H59 | sing | 1.09Å | 1.10Å | |
C25 | H58 | sing | 1.09Å | 1.10Å | |
N26 | H61 | sing | 0.97Å | 1.00Å | |
N26 | H60 | sing | 0.97Å | 1.00Å | |
C32 | H62 | sing | 1.09Å | 1.10Å | |
C32 | H63 | sing | 1.09Å | 1.10Å | |
C32 | H64 | sing | 1.09Å | 1.10Å | |
C35 | H68 | sing | 1.08Å | 1.08Å | |
C36 | H69 | sing | 1.08Å | 1.08Å | |
C37 | H70 | sing | 1.08Å | 1.08Å | |
C38 | H71 | sing | 1.08Å | 1.08Å | |
C39 | H72 | sing | 1.08Å | 1.08Å | |
C40 | H74 | sing | 1.09Å | 1.10Å | |
C40 | H73 | sing | 1.09Å | 1.10Å | |
C40 | H75 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O29 | N30 | C31 | 108.7° | 112.0° |
N30 | O29 | C28 | 108.1° | 111.8° |
N30 | C31 | C32 | 125.8° | 126.8° |
N30 | C31 | C15 | 108.0° | 106.2° |
O29 | C28 | C33 | 119.5° | 126.8° |
O29 | C28 | C15 | 108.7° | 106.2° |
C32 | C31 | C15 | 126.2° | 126.9° |
C31 | C32 | H62 | 109.5° | 109.4° |
C31 | C32 | H63 | 109.5° | 109.4° |
C31 | C32 | H64 | 109.5° | 109.5° |
C31 | C15 | C28 | 106.5° | 103.7° |
C31 | C15 | C11 | 127.2° | 128.1° |
C33 | C28 | C15 | 131.8° | 126.9° |
C28 | C33 | H65 | 109.5° | 109.5° |
C28 | C33 | H66 | 109.5° | 109.5° |
C28 | C33 | H67 | 109.5° | 109.4° |
C28 | C15 | C11 | 126.3° | 128.1° |
N26 | C14 | O27 | 121.1° | 120.0° |
N26 | C14 | C13 | 116.6° | 120.0° |
C14 | N26 | H61 | 120.0° | 120.0° |
C14 | N26 | H60 | 120.0° | 120.0° |
C15 | C11 | C12 | 118.9° | 119.7° |
C15 | C11 | C10 | 118.3° | 119.7° |
O27 | C14 | C13 | 122.2° | 120.0° |
C14 | C13 | C12 | 116.6° | 120.2° |
C14 | C13 | C9 | 123.1° | 120.2° |
C11 | C12 | C13 | 119.5° | 119.9° |
C12 | C11 | C10 | 122.7° | 120.5° |
C11 | C12 | H45 | 120.2° | 120.0° |
C12 | C13 | C9 | 120.0° | 119.6° |
C13 | C12 | H45 | 120.2° | 120.0° |
C11 | C10 | C8 | 118.4° | 120.2° |
C11 | C10 | H44 | 120.8° | 119.9° |
C13 | C9 | C8 | 118.4° | 120.2° |
C13 | C9 | C5 | 135.3° | 133.3° |
C10 | C8 | C9 | 120.9° | 119.5° |
C10 | C8 | N7 | 129.3° | 132.1° |
C8 | C10 | H44 | 120.8° | 119.8° |
C8 | C9 | C5 | 106.3° | 106.5° |
C9 | C8 | N7 | 109.7° | 108.4° |
C9 | C5 | C6 | 134.0° | 133.4° |
C9 | C5 | C4 | 107.0° | 106.5° |
C38 | C37 | C36 | 119.8° | 120.0° |
C37 | C38 | C39 | 120.0° | 120.0° |
C38 | C37 | H70 | 120.1° | 120.0° |
C37 | C38 | H71 | 120.0° | 120.0° |
C37 | C36 | C35 | 120.7° | 120.0° |
C37 | C36 | H69 | 119.7° | 120.0° |
C36 | C37 | H70 | 120.1° | 120.0° |
C8 | N7 | C4 | 107.4° | 110.2° |
C8 | N7 | C19 | 127.8° | 124.9° |
C38 | C39 | C34 | 120.6° | 120.0° |
C39 | C38 | H71 | 120.0° | 120.0° |
C38 | C39 | H72 | 119.7° | 120.0° |
C36 | C35 | C34 | 120.3° | 120.0° |
C36 | C35 | H68 | 119.9° | 120.0° |
C35 | C36 | H69 | 119.7° | 120.0° |
C6 | C5 | C4 | 119.0° | 120.1° |
C5 | C6 | C1 | 119.5° | 119.7° |
C5 | C6 | H43 | 120.2° | 120.2° |
C5 | C4 | N7 | 109.6° | 108.3° |
C5 | C4 | C3 | 121.4° | 119.3° |
C6 | C1 | C2 | 121.9° | 120.3° |
C6 | C1 | H41 | 119.0° | 119.9° |
C1 | C6 | H43 | 120.3° | 120.1° |
C39 | C34 | C35 | 118.6° | 120.0° |
C39 | C34 | C19 | 125.7° | 120.0° |
C34 | C39 | H72 | 119.7° | 120.0° |
C35 | C34 | C19 | 115.7° | 120.0° |
C34 | C35 | H68 | 119.9° | 120.0° |
C4 | N7 | C19 | 124.8° | 124.9° |
N7 | C4 | C3 | 129.0° | 132.4° |
N7 | C19 | C34 | 110.3° | 109.5° |
N7 | C19 | C20 | 111.0° | 109.5° |
N7 | C19 | H50 | 107.1° | 109.5° |
C34 | C19 | C20 | 115.0° | 109.5° |
C34 | C19 | H50 | 106.5° | 109.5° |
C4 | C3 | C2 | 118.2° | 120.0° |
C4 | C3 | H42 | 120.9° | 120.0° |
C1 | C2 | C3 | 119.9° | 120.6° |
C1 | C2 | C16 | 120.4° | 119.7° |
C2 | C1 | H41 | 119.0° | 119.8° |
C19 | C20 | C21 | 111.6° | 109.6° |
C19 | C20 | C25 | 111.2° | 109.6° |
C20 | C19 | H50 | 106.5° | 109.5° |
C19 | C20 | H51 | 108.2° | 109.6° |
C3 | C2 | C16 | 119.7° | 119.7° |
C2 | C3 | H42 | 120.9° | 119.9° |
C2 | C16 | C40 | 108.9° | 109.5° |
C2 | C16 | C17 | 110.4° | 109.5° |
C2 | C16 | O18 | 110.0° | 109.5° |
C21 | C20 | C25 | 109.1° | 109.0° |
C20 | C21 | C22 | 109.5° | 109.2° |
C21 | C20 | H51 | 108.3° | 109.5° |
C20 | C21 | H52 | 109.4° | 109.5° |
C20 | C21 | H53 | 109.5° | 109.5° |
C20 | C25 | C24 | 110.5° | 109.2° |
C25 | C20 | H51 | 108.3° | 109.6° |
C20 | C25 | H59 | 109.2° | 109.5° |
C20 | C25 | H58 | 109.3° | 109.5° |
C21 | C22 | O23 | 111.0° | 109.4° |
C22 | C21 | H52 | 109.5° | 109.5° |
C22 | C21 | H53 | 109.5° | 109.5° |
C21 | C22 | H55 | 109.1° | 109.4° |
C21 | C22 | H54 | 109.1° | 109.5° |
C40 | C16 | C17 | 111.0° | 109.5° |
C40 | C16 | O18 | 108.4° | 109.5° |
C16 | C40 | H74 | 109.5° | 109.5° |
C16 | C40 | H73 | 109.5° | 109.5° |
C16 | C40 | H75 | 109.5° | 109.4° |
C17 | C16 | O18 | 108.2° | 109.5° |
C16 | C17 | H46 | 109.5° | 109.4° |
C16 | C17 | H47 | 109.5° | 109.5° |
C16 | C17 | H48 | 109.4° | 109.5° |
C16 | O18 | H49 | 109.5° | 113.9° |
C25 | C24 | O23 | 111.0° | 109.4° |
C25 | C24 | H56 | 109.1° | 109.5° |
C25 | C24 | H57 | 109.1° | 109.5° |
C24 | C25 | H59 | 109.2° | 109.5° |
C24 | C25 | H58 | 109.2° | 109.6° |
C22 | O23 | C24 | 110.3° | 114.0° |
O23 | C22 | H55 | 109.1° | 109.4° |
O23 | C22 | H54 | 109.1° | 109.5° |
O23 | C24 | H56 | 109.1° | 109.4° |
O23 | C24 | H57 | 109.1° | 109.5° |
H46 | C17 | H47 | 109.5° | 109.5° |
H46 | C17 | H48 | 109.4° | 109.4° |
H47 | C17 | H48 | 109.5° | 109.5° |
H52 | C21 | H53 | 109.5° | 109.6° |
H55 | C22 | H54 | 109.5° | 109.6° |
H56 | C24 | H57 | 109.4° | 109.5° |
H65 | C33 | H66 | 109.5° | 109.5° |
H65 | C33 | H67 | 109.5° | 109.5° |
H66 | C33 | H67 | 109.5° | 109.4° |
H59 | C25 | H58 | 109.5° | 109.6° |
H61 | N26 | H60 | 120.0° | 119.9° |
H62 | C32 | H63 | 109.5° | 109.4° |
H62 | C32 | H64 | 109.5° | 109.5° |
H63 | C32 | H64 | 109.5° | 109.5° |
H74 | C40 | H73 | 109.4° | 109.5° |
H74 | C40 | H75 | 109.5° | 109.4° |
H73 | C40 | H75 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O29 | N30 | C31 | C32 | 176.9° | 180.0° |
O29 | N30 | C31 | C15 | 0.8° | 0.5° |
N30 | O29 | C28 | C33 | 179.6° | 179.9° |
N30 | O29 | C28 | C15 | 0.2° | 0.0° |
C31 | N30 | O29 | C28 | 0.4° | 0.3° |
N30 | C31 | C32 | C15 | 177.3° | 179.4° |
N30 | C31 | C15 | C28 | 0.9° | 0.4° |
N30 | C31 | C15 | C11 | 179.2° | 179.8° |
N30 | C31 | C32 | H62 | 0.0° | 90.0° |
N30 | C31 | C32 | H63 | 120.0° | 150.0° |
N30 | C31 | C32 | H64 | 120.0° | 30.0° |
O29 | C28 | C15 | C31 | 0.7° | 0.2° |
O29 | C28 | C33 | C15 | 179.8° | 179.8° |
O29 | C28 | C15 | C11 | 179.4° | 180.0° |
O29 | C28 | C33 | H65 | 0.0° | 89.9° |
O29 | C28 | C33 | H66 | 120.0° | 30.1° |
O29 | C28 | C33 | H67 | 120.0° | 150.1° |
C32 | C31 | C15 | C28 | 176.8° | 179.9° |
C32 | C31 | C15 | C11 | 3.1° | 0.3° |
C31 | C32 | H62 | H63 | 120.0° | 119.9° |
C31 | C32 | H62 | H64 | 120.0° | 120.1° |
C31 | C32 | H63 | H64 | 120.0° | 120.0° |
C31 | C15 | C28 | C33 | 179.1° | 179.6° |
C31 | C15 | C28 | C11 | 179.9° | 179.8° |
C31 | C15 | C11 | C12 | 63.2° | 114.7° |
C31 | C15 | C11 | C10 | 120.2° | 65.4° |
C15 | C31 | C32 | H62 | 177.3° | 90.5° |
C15 | C31 | C32 | H63 | 62.7° | 29.4° |
C15 | C31 | C32 | H64 | 57.3° | 149.4° |
C33 | C28 | C15 | C11 | 0.8° | 0.1° |
C28 | C33 | H65 | H66 | 120.0° | 120.1° |
C28 | C33 | H65 | H67 | 120.0° | 120.0° |
C28 | C33 | H66 | H67 | 120.0° | 119.9° |
C28 | C15 | C11 | C12 | 116.6° | 65.0° |
C28 | C15 | C11 | C10 | 59.9° | 114.9° |
C15 | C28 | C33 | H65 | 179.8° | 89.9° |
C15 | C28 | C33 | H66 | 59.8° | 150.0° |
C15 | C28 | C33 | H67 | 60.2° | 30.1° |
N26 | C14 | O27 | C13 | 176.0° | 180.0° |
N26 | C14 | C13 | C12 | 54.8° | 38.6° |
N26 | C14 | C13 | C9 | 132.1° | 141.1° |
C14 | N26 | H61 | H60 | 180.0° | 180.0° |
C15 | C11 | C12 | C10 | 176.4° | 179.9° |
C15 | C11 | C12 | C13 | 174.1° | 180.0° |
C15 | C11 | C10 | C8 | 174.2° | 180.0° |
C15 | C11 | C12 | H45 | 5.9° | 0.0° |
C15 | C11 | C10 | H44 | 5.8° | 0.1° |
O27 | C14 | C13 | C12 | 121.3° | 141.4° |
O27 | C14 | C13 | C9 | 51.8° | 38.8° |
O27 | C14 | N26 | H61 | 0.0° | 180.0° |
O27 | C14 | N26 | H60 | 180.0° | 0.0° |
C14 | C13 | C12 | C11 | 171.3° | 179.7° |
C14 | C13 | C12 | C9 | 173.3° | 179.7° |
C14 | C13 | C9 | C8 | 171.3° | 179.8° |
C14 | C13 | C9 | C5 | 6.8° | 0.3° |
C14 | C13 | C12 | H45 | 8.6° | 0.3° |
C13 | C14 | N26 | H61 | 176.2° | 0.0° |
C13 | C14 | N26 | H60 | 3.8° | 179.9° |
C11 | C12 | C13 | H45 | 180.0° | 180.0° |
C11 | C12 | C13 | C9 | 2.0° | 0.0° |
C12 | C11 | C10 | C8 | 2.2° | 0.1° |
C12 | C11 | C10 | H44 | 177.8° | 180.0° |
C13 | C12 | C11 | C10 | 2.3° | 0.1° |
C12 | C13 | C9 | C8 | 1.6° | 0.0° |
C12 | C13 | C9 | C5 | 179.7° | 180.0° |
C11 | C10 | C8 | H44 | 180.0° | 179.9° |
C11 | C10 | C8 | C9 | 1.7° | 0.0° |
C11 | C10 | C8 | N7 | 177.2° | 179.9° |
C10 | C11 | C12 | H45 | 177.7° | 179.9° |
C13 | C9 | C8 | C10 | 1.5° | 0.0° |
C13 | C9 | C8 | C5 | 178.6° | 180.0° |
C13 | C9 | C8 | N7 | 177.7° | 180.0° |
C13 | C9 | C5 | C6 | 2.2° | 0.1° |
C13 | C9 | C5 | C4 | 177.3° | 180.0° |
C9 | C13 | C12 | H45 | 178.0° | 180.0° |
C10 | C8 | C9 | N7 | 179.2° | 180.0° |
C10 | C8 | C9 | C5 | 179.9° | 180.0° |
C10 | C8 | N7 | C4 | 179.6° | 180.0° |
C10 | C8 | N7 | C19 | 2.9° | 0.0° |
C8 | C9 | C5 | C6 | 179.5° | 180.0° |
C8 | C9 | C5 | C4 | 0.9° | 0.0° |
C9 | C8 | N7 | C4 | 0.6° | 0.1° |
C9 | C8 | N7 | C19 | 178.1° | 180.0° |
C9 | C8 | C10 | H44 | 178.2° | 179.9° |
C5 | C9 | C8 | N7 | 0.9° | 0.1° |
C9 | C5 | C6 | C4 | 179.5° | 179.9° |
C9 | C5 | C6 | C1 | 179.4° | 179.9° |
C9 | C5 | C4 | N7 | 0.6° | 0.0° |
C9 | C5 | C4 | C3 | 178.7° | 179.9° |
C9 | C5 | C6 | H43 | 0.6° | 0.1° |
C38 | C37 | C36 | H70 | 180.0° | 179.7° |
C37 | C38 | C39 | H71 | 180.0° | 179.8° |
C38 | C37 | C36 | C35 | 0.8° | 0.0° |
C37 | C38 | C39 | C34 | 0.8° | 0.5° |
C38 | C37 | C36 | H69 | 179.2° | 180.0° |
C37 | C38 | C39 | H72 | 179.2° | 180.0° |
C36 | C37 | C38 | C39 | 0.3° | 0.3° |
C37 | C36 | C35 | H69 | 180.0° | 180.0° |
C37 | C36 | C35 | C34 | 0.1° | 0.0° |
C37 | C36 | C35 | H68 | 179.8° | 180.0° |
C36 | C37 | C38 | H71 | 179.7° | 179.9° |
C8 | N7 | C4 | C5 | 0.0° | 0.1° |
C8 | N7 | C4 | C19 | 177.6° | 179.9° |
C8 | N7 | C19 | C34 | 57.6° | 87.6° |
C8 | N7 | C4 | C3 | 179.3° | 179.9° |
C8 | N7 | C19 | C20 | 71.0° | 32.4° |
C8 | N7 | C19 | H50 | 173.1° | 152.4° |
N7 | C8 | C10 | H44 | 2.8° | 0.0° |
C38 | C39 | C34 | H72 | 180.0° | 179.4° |
C38 | C39 | C34 | C35 | 1.4° | 0.6° |
C38 | C39 | C34 | C19 | 177.3° | 179.7° |
C39 | C38 | C37 | H70 | 179.7° | 180.0° |
C36 | C35 | C34 | C39 | 1.0° | 0.3° |
C36 | C35 | C34 | H68 | 180.0° | 180.0° |
C36 | C35 | C34 | C19 | 177.9° | 180.0° |
C35 | C36 | C37 | H70 | 179.2° | 179.7° |
C5 | C6 | C1 | H43 | 180.0° | 180.0° |
C6 | C5 | C4 | N7 | 179.8° | 179.9° |
C6 | C5 | C4 | C3 | 0.9° | 0.0° |
C5 | C6 | C1 | C2 | 0.8° | 0.1° |
C5 | C6 | C1 | H41 | 179.1° | 180.0° |
C4 | C5 | C6 | C1 | 0.1° | 0.0° |
C5 | C4 | N7 | C3 | 179.3° | 179.9° |
C5 | C4 | N7 | C19 | 177.5° | 180.0° |
C5 | C4 | C3 | C2 | 0.7° | 0.1° |
C5 | C4 | C3 | H42 | 179.3° | 180.0° |
C4 | C5 | C6 | H43 | 179.9° | 180.0° |
C6 | C1 | C2 | H41 | 180.0° | 180.0° |
C6 | C1 | C2 | C3 | 1.0° | 0.0° |
C6 | C1 | C2 | C16 | 177.7° | 180.0° |
C39 | C34 | C35 | C19 | 178.9° | 179.7° |
C39 | C34 | C19 | N7 | 111.6° | 55.3° |
C39 | C34 | C19 | C20 | 14.8° | 64.7° |
C39 | C34 | C19 | H50 | 132.6° | 175.4° |
C39 | C34 | C35 | H68 | 179.1° | 179.7° |
C34 | C39 | C38 | H71 | 179.2° | 179.7° |
C35 | C34 | C19 | N7 | 67.2° | 124.9° |
C35 | C34 | C19 | C20 | 166.4° | 115.1° |
C35 | C34 | C19 | H50 | 48.6° | 4.9° |
C34 | C35 | C36 | H69 | 179.9° | 180.0° |
C35 | C34 | C39 | H72 | 178.6° | 180.0° |
C4 | N7 | C19 | C34 | 125.3° | 92.5° |
C4 | N7 | C19 | C20 | 106.0° | 147.5° |
N7 | C4 | C3 | C2 | 179.9° | 179.9° |
C4 | N7 | C19 | H50 | 9.9° | 27.5° |
N7 | C4 | C3 | H42 | 0.1° | 0.2° |
N7 | C19 | C34 | C20 | 126.4° | 120.0° |
N7 | C19 | C34 | H50 | 115.8° | 120.0° |
C19 | N7 | C4 | C3 | 3.2° | 0.2° |
N7 | C19 | C20 | H50 | 116.2° | 120.0° |
N7 | C19 | C20 | C21 | 44.4° | 40.9° |
N7 | C19 | C20 | C25 | 166.5° | 160.4° |
N7 | C19 | C20 | H51 | 74.7° | 79.3° |
C34 | C19 | C20 | H50 | 117.7° | 120.0° |
C34 | C19 | C20 | C21 | 170.4° | 160.8° |
C34 | C19 | C20 | C25 | 67.4° | 79.6° |
C34 | C19 | C20 | H51 | 51.4° | 40.7° |
C19 | C34 | C35 | H68 | 2.1° | 0.1° |
C19 | C34 | C39 | H72 | 2.7° | 0.3° |
C4 | C3 | C2 | C1 | 0.2° | 0.0° |
C4 | C3 | C2 | H42 | 180.0° | 179.9° |
C4 | C3 | C2 | C16 | 178.5° | 180.0° |
C1 | C2 | C3 | C16 | 178.7° | 180.0° |
C1 | C2 | C16 | C40 | 61.4° | 90.0° |
C1 | C2 | C16 | C17 | 60.6° | 30.0° |
C1 | C2 | C16 | O18 | 180.0° | 150.0° |
C1 | C2 | C3 | H42 | 179.8° | 180.0° |
C2 | C1 | C6 | H43 | 179.2° | 180.0° |
C19 | C20 | C21 | C25 | 123.4° | 119.9° |
C19 | C20 | C21 | H51 | 119.0° | 120.2° |
C19 | C20 | C25 | H51 | 118.7° | 120.2° |
C19 | C20 | C21 | C22 | 176.5° | 176.9° |
C19 | C20 | C25 | C24 | 176.0° | 176.9° |
C19 | C20 | C21 | H52 | 56.6° | 56.9° |
C19 | C20 | C21 | H53 | 63.5° | 63.2° |
C19 | C20 | C25 | H59 | 63.9° | 63.3° |
C19 | C20 | C25 | H58 | 55.8° | 57.0° |
C3 | C2 | C16 | C40 | 117.3° | 90.0° |
C3 | C2 | C16 | C17 | 120.7° | 150.0° |
C3 | C2 | C16 | O18 | 1.4° | 30.0° |
C3 | C2 | C1 | H41 | 179.0° | 180.0° |
C2 | C16 | C40 | C17 | 121.7° | 120.0° |
C2 | C16 | C40 | O18 | 119.7° | 120.0° |
C2 | C16 | C17 | O18 | 120.4° | 120.0° |
C2 | C16 | C17 | H46 | 180.0° | 60.0° |
C2 | C16 | C17 | H47 | 60.0° | 60.0° |
C2 | C16 | C17 | H48 | 60.0° | 179.9° |
C16 | C2 | C1 | H41 | 2.4° | 0.0° |
C16 | C2 | C3 | H42 | 1.5° | 0.0° |
C2 | C16 | O18 | H49 | 180.0° | 60.0° |
C2 | C16 | C40 | H74 | 180.0° | 60.0° |
C2 | C16 | C40 | H73 | 60.0° | 60.0° |
C2 | C16 | C40 | H75 | 60.0° | 180.0° |
C21 | C20 | C25 | H51 | 117.7° | 119.9° |
C20 | C21 | C22 | H52 | 120.0° | 119.9° |
C20 | C21 | C22 | H53 | 120.0° | 119.9° |
C21 | C20 | C25 | C24 | 52.3° | 57.0° |
C20 | C21 | C22 | O23 | 59.3° | 57.7° |
C21 | C20 | C19 | H50 | 71.9° | 79.2° |
C20 | C21 | H52 | H53 | 120.0° | 120.1° |
C20 | C21 | C22 | H55 | 179.5° | 177.6° |
C20 | C21 | C22 | H54 | 60.9° | 62.4° |
C21 | C20 | C25 | H59 | 172.5° | 176.8° |
C21 | C20 | C25 | H58 | 67.8° | 62.9° |
C25 | C20 | C21 | C22 | 53.2° | 57.0° |
C20 | C25 | C24 | H59 | 120.2° | 119.9° |
C20 | C25 | C24 | H58 | 120.2° | 119.9° |
C20 | C25 | C24 | O23 | 57.0° | 57.7° |
C25 | C20 | C19 | H50 | 50.3° | 40.4° |
C25 | C20 | C21 | H52 | 66.8° | 63.0° |
C25 | C20 | C21 | H53 | 173.2° | 176.9° |
C20 | C25 | C24 | H56 | 63.2° | 177.5° |
C20 | C25 | C24 | H57 | 177.3° | 62.4° |
C20 | C25 | H59 | H58 | 119.6° | 120.1° |
C21 | C22 | O23 | H55 | 120.2° | 119.9° |
C21 | C22 | O23 | H54 | 120.2° | 120.0° |
C21 | C22 | O23 | C24 | 63.7° | 61.2° |
C22 | C21 | C20 | H51 | 64.5° | 62.9° |
C22 | C21 | H52 | H53 | 120.0° | 120.2° |
C21 | C22 | H55 | H54 | 119.3° | 120.1° |
C40 | C16 | C17 | O18 | 118.8° | 120.0° |
C40 | C16 | C17 | H46 | 59.2° | 180.0° |
C40 | C16 | C17 | H47 | 60.8° | 60.0° |
C40 | C16 | C17 | H48 | 179.2° | 60.0° |
C40 | C16 | O18 | H49 | 61.1° | 60.0° |
C16 | C40 | H74 | H73 | 120.0° | 120.0° |
C16 | C40 | H74 | H75 | 120.0° | 119.9° |
C16 | C40 | H73 | H75 | 120.0° | 120.0° |
C16 | C17 | H46 | H47 | 120.0° | 120.0° |
C16 | C17 | H46 | H48 | 120.0° | 120.0° |
C16 | C17 | H47 | H48 | 120.0° | 120.0° |
C17 | C16 | O18 | H49 | 59.3° | 180.0° |
C17 | C16 | C40 | H74 | 58.4° | 60.0° |
C17 | C16 | C40 | H73 | 178.3° | 180.0° |
C17 | C16 | C40 | H75 | 61.7° | 60.0° |
O18 | C16 | C17 | H46 | 59.6° | 60.0° |
O18 | C16 | C17 | H47 | 179.6° | 180.0° |
O18 | C16 | C17 | H48 | 60.4° | 60.0° |
O18 | C16 | C40 | H74 | 60.3° | 180.0° |
O18 | C16 | C40 | H73 | 59.7° | 60.0° |
O18 | C16 | C40 | H75 | 179.7° | 60.0° |
C25 | C24 | O23 | C22 | 62.2° | 61.2° |
C25 | C24 | O23 | H56 | 120.3° | 119.9° |
C25 | C24 | O23 | H57 | 120.2° | 120.0° |
C24 | C25 | C20 | H51 | 65.3° | 62.9° |
C25 | C24 | H56 | H57 | 119.3° | 120.1° |
C24 | C25 | H59 | H58 | 119.5° | 120.2° |
O23 | C22 | C21 | H52 | 60.7° | 62.2° |
O23 | C22 | C21 | H53 | 179.3° | 177.6° |
O23 | C22 | H55 | H54 | 119.4° | 120.1° |
C22 | O23 | C24 | H56 | 58.1° | 178.8° |
C22 | O23 | C24 | H57 | 177.6° | 58.8° |
C24 | O23 | C22 | H55 | 176.1° | 178.9° |
C24 | O23 | C22 | H54 | 56.5° | 58.8° |
O23 | C24 | H56 | H57 | 119.3° | 120.0° |
O23 | C24 | C25 | H59 | 177.2° | 177.5° |
O23 | C24 | C25 | H58 | 63.2° | 62.2° |
H46 | C17 | H47 | H48 | 120.0° | 120.0° |
H50 | C19 | C20 | H51 | 169.1° | 160.7° |
H51 | C20 | C21 | H52 | 175.5° | 177.1° |
H51 | C20 | C21 | H53 | 55.5° | 57.0° |
H51 | C20 | C25 | H59 | 54.8° | 57.0° |
H51 | C20 | C25 | H58 | 174.5° | 177.2° |
H52 | C21 | C22 | H55 | 59.5° | 57.6° |
H52 | C21 | C22 | H54 | 179.1° | 177.7° |
H53 | C21 | C22 | H55 | 60.5° | 62.5° |
H53 | C21 | C22 | H54 | 59.1° | 57.5° |
H56 | C24 | C25 | H59 | 56.9° | 62.6° |
H56 | C24 | C25 | H58 | 176.6° | 57.7° |
H57 | C24 | C25 | H59 | 62.6° | 57.5° |
H57 | C24 | C25 | H58 | 57.1° | 177.8° |
H65 | C33 | H66 | H67 | 120.0° | 120.0° |
H41 | C1 | C6 | H43 | 0.9° | 0.0° |
H62 | C32 | H63 | H64 | 120.0° | 120.0° |
H68 | C35 | C36 | H69 | 0.2° | 0.0° |
H69 | C36 | C37 | H70 | 0.8° | 0.3° |
H70 | C37 | C38 | H71 | 0.3° | 0.2° |
H71 | C38 | C39 | H72 | 0.8° | 0.2° |
H74 | C40 | H73 | H75 | 120.0° | 120.0° |