7DK
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N10 | C9 | doub | 1.31Å | 1.30Å | Aromatic |
N10 | N11 | sing | 1.28Å | 1.36Å | Aromatic |
C9 | N8 | sing | 1.35Å | 1.34Å | Aromatic |
N11 | N12 | doub | 1.29Å | 1.30Å | Aromatic |
N8 | N12 | sing | 1.41Å | 1.35Å | Aromatic |
N8 | C7 | sing | 1.40Å | 1.43Å | |
C2 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
C7 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
N27 | C28 | sing | 1.37Å | 1.36Å | Aromatic |
N27 | C19 | sing | 1.35Å | 1.35Å | Aromatic |
C20 | C32 | sing | 1.53Å | 1.55Å | |
C20 | C18 | sing | 1.53Å | 1.53Å | |
C32 | C33 | sing | 1.53Å | 1.54Å | |
C3 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
C28 | C29 | doub | 1.36Å | 1.37Å | Aromatic |
C6 | C13 | sing | 1.47Å | 1.47Å | |
C6 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
C13 | C14 | doub | 1.35Å | 1.34Å | |
N17 | C18 | sing | 1.47Å | 1.46Å | |
N17 | C15 | sing | 1.35Å | 1.35Å | |
C18 | C19 | sing | 1.51Å | 1.50Å | |
C19 | N30 | doub | 1.30Å | 1.32Å | Aromatic |
C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
C4 | CL1 | sing | 1.74Å | 1.75Å | |
O42 | C36 | doub | 1.21Å | 1.23Å | |
C33 | C34 | sing | 1.53Å | 1.53Å | |
C34 | C35 | sing | 1.53Å | 1.52Å | |
C29 | N30 | sing | 1.35Å | 1.38Å | Aromatic |
C29 | C21 | sing | 1.48Å | 1.47Å | |
C14 | C15 | sing | 1.46Å | 1.48Å | |
C15 | O16 | doub | 1.22Å | 1.24Å | |
C36 | C35 | sing | 1.51Å | 1.51Å | |
C36 | N31 | sing | 1.36Å | 1.35Å | |
C21 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
C21 | C26 | sing | 1.40Å | 1.42Å | Aromatic |
C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
N31 | C26 | sing | 1.41Å | 1.42Å | |
C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
C23 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
C25 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
C24 | N37 | sing | 1.40Å | 1.42Å | |
O40 | C38 | doub | 1.22Å | 1.21Å | |
N37 | C38 | sing | 1.35Å | 1.36Å | |
C38 | O39 | sing | 1.35Å | 1.35Å | |
O39 | C41 | sing | 1.45Å | 1.45Å | |
C13 | H47 | sing | 1.08Å | 1.08Å | |
C18 | H50 | sing | 1.09Å | 1.10Å | |
C20 | H51 | sing | 1.09Å | 1.10Å | |
C20 | H52 | sing | 1.09Å | 1.10Å | |
C22 | H53 | sing | 1.08Å | 1.08Å | |
C23 | H54 | sing | 1.08Å | 1.08Å | |
C34 | H64 | sing | 1.09Å | 1.10Å | |
C34 | H63 | sing | 1.09Å | 1.10Å | |
C33 | H62 | sing | 1.09Å | 1.10Å | |
C33 | H61 | sing | 1.09Å | 1.10Å | |
C2 | H43 | sing | 1.08Å | 1.08Å | |
C3 | H44 | sing | 1.08Å | 1.08Å | |
C5 | H45 | sing | 1.08Å | 1.08Å | |
C9 | H46 | sing | 1.08Å | 1.08Å | |
C14 | H48 | sing | 1.08Å | 1.08Å | |
N17 | H49 | sing | 0.97Å | 1.00Å | |
C25 | H55 | sing | 1.08Å | 1.08Å | |
N27 | H56 | sing | 0.97Å | 1.00Å | |
C28 | H57 | sing | 1.08Å | 1.08Å | |
N31 | H58 | sing | 0.97Å | 1.00Å | |
C32 | H59 | sing | 1.09Å | 1.10Å | |
C32 | H60 | sing | 1.09Å | 1.10Å | |
C35 | H66 | sing | 1.09Å | 1.10Å | |
C35 | H65 | sing | 1.09Å | 1.10Å | |
N37 | H67 | sing | 0.97Å | 1.00Å | |
C41 | H68 | sing | 1.09Å | 1.10Å | |
C41 | H69 | sing | 1.09Å | 1.10Å | |
C41 | H70 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C9 | N10 | N11 | 105.6° | 110.6° |
N10 | C9 | N8 | 109.7° | 107.3° |
N10 | C9 | H46 | 125.1° | 126.4° |
N10 | N11 | N12 | 110.9° | 110.2° |
C9 | N8 | N12 | 107.5° | 105.2° |
C9 | N8 | C7 | 131.9° | 127.4° |
N8 | C9 | H46 | 125.2° | 126.3° |
N11 | N12 | N8 | 106.3° | 106.6° |
N12 | N8 | C7 | 120.4° | 127.4° |
N8 | C7 | C2 | 119.0° | 120.1° |
N8 | C7 | C6 | 121.0° | 120.2° |
C7 | C2 | C3 | 120.5° | 120.1° |
C2 | C7 | C6 | 119.9° | 119.7° |
C7 | C2 | H43 | 119.8° | 120.0° |
C2 | C3 | C4 | 119.3° | 120.4° |
C3 | C2 | H43 | 119.7° | 119.9° |
C2 | C3 | H44 | 120.4° | 119.8° |
C7 | C6 | C13 | 123.0° | 120.2° |
C7 | C6 | C5 | 119.0° | 119.6° |
C28 | N27 | C19 | 107.4° | 107.4° |
N27 | C28 | C29 | 106.3° | 106.7° |
C28 | N27 | H56 | 126.3° | 126.3° |
N27 | C28 | H57 | 126.9° | 126.6° |
N27 | C19 | C18 | 123.9° | 125.4° |
N27 | C19 | N30 | 111.5° | 109.0° |
C19 | N27 | H56 | 126.3° | 126.3° |
C32 | C20 | C18 | 114.3° | 109.5° |
C20 | C32 | C33 | 116.8° | 109.3° |
C32 | C20 | H51 | 108.3° | 109.4° |
C32 | C20 | H52 | 108.3° | 109.4° |
C20 | C32 | H59 | 107.6° | 109.5° |
C20 | C32 | H60 | 107.6° | 109.4° |
C20 | C18 | N17 | 112.5° | 109.5° |
C20 | C18 | C19 | 110.7° | 109.2° |
C20 | C18 | H50 | 106.8° | 109.6° |
C18 | C20 | H51 | 108.2° | 109.5° |
C18 | C20 | H52 | 108.3° | 109.5° |
C32 | C33 | C34 | 113.8° | 109.1° |
C32 | C33 | H62 | 108.4° | 109.5° |
C32 | C33 | H61 | 108.4° | 109.6° |
C33 | C32 | H59 | 107.6° | 109.6° |
C33 | C32 | H60 | 107.6° | 109.5° |
C3 | C4 | C5 | 121.5° | 120.3° |
C3 | C4 | CL1 | 119.3° | 119.9° |
C4 | C3 | H44 | 120.3° | 119.8° |
C28 | C29 | N30 | 109.3° | 107.7° |
C28 | C29 | C21 | 132.2° | 126.3° |
C29 | C28 | H57 | 126.8° | 126.7° |
C13 | C6 | C5 | 118.0° | 120.2° |
C6 | C13 | C14 | 125.7° | 120.0° |
C6 | C13 | H47 | 117.1° | 120.0° |
C6 | C5 | C4 | 119.8° | 119.8° |
C6 | C5 | H45 | 120.1° | 120.1° |
C13 | C14 | C15 | 128.1° | 120.0° |
C14 | C13 | H47 | 117.1° | 120.0° |
C13 | C14 | H48 | 116.0° | 119.9° |
C18 | N17 | C15 | 119.7° | 120.0° |
N17 | C18 | C19 | 111.6° | 109.5° |
N17 | C18 | H50 | 107.7° | 109.5° |
C18 | N17 | H49 | 120.2° | 120.0° |
N17 | C15 | C14 | 116.2° | 120.0° |
N17 | C15 | O16 | 121.5° | 120.0° |
C15 | N17 | H49 | 120.2° | 120.0° |
C18 | C19 | N30 | 124.1° | 125.6° |
C19 | C18 | H50 | 107.2° | 109.6° |
C19 | N30 | C29 | 105.5° | 109.2° |
C5 | C4 | CL1 | 119.2° | 119.8° |
C4 | C5 | H45 | 120.1° | 120.1° |
O42 | C36 | C35 | 121.7° | 120.4° |
O42 | C36 | N31 | 123.3° | 120.4° |
C33 | C34 | C35 | 114.2° | 109.5° |
C33 | C34 | H64 | 108.3° | 109.5° |
C33 | C34 | H63 | 108.3° | 109.5° |
C34 | C33 | H62 | 108.4° | 109.5° |
C34 | C33 | H61 | 108.4° | 109.5° |
C34 | C35 | C36 | 112.9° | 109.5° |
C35 | C34 | H64 | 108.3° | 109.4° |
C35 | C34 | H63 | 108.2° | 109.4° |
C34 | C35 | H66 | 108.6° | 109.5° |
C34 | C35 | H65 | 108.6° | 109.5° |
N30 | C29 | C21 | 118.4° | 125.9° |
C29 | C21 | C22 | 118.3° | 120.2° |
C29 | C21 | C26 | 123.2° | 120.0° |
C14 | C15 | O16 | 122.2° | 120.0° |
C15 | C14 | H48 | 116.0° | 120.0° |
C35 | C36 | N31 | 115.1° | 119.2° |
C36 | C35 | H66 | 108.6° | 109.5° |
C36 | C35 | H65 | 108.6° | 109.4° |
C36 | N31 | C26 | 123.6° | 116.2° |
C36 | N31 | H58 | 118.2° | 121.9° |
C22 | C21 | C26 | 118.5° | 119.8° |
C21 | C22 | C23 | 121.1° | 119.8° |
C21 | C22 | H53 | 119.5° | 120.1° |
C21 | C26 | N31 | 120.9° | 118.9° |
C21 | C26 | C25 | 119.9° | 120.1° |
C22 | C23 | C24 | 120.2° | 120.3° |
C23 | C22 | H53 | 119.5° | 120.1° |
C22 | C23 | H54 | 119.9° | 119.9° |
N31 | C26 | C25 | 119.1° | 121.0° |
C26 | N31 | H58 | 118.2° | 121.8° |
C26 | C25 | C24 | 121.0° | 119.8° |
C26 | C25 | H55 | 119.5° | 120.1° |
C23 | C24 | C25 | 119.3° | 120.1° |
C23 | C24 | N37 | 124.7° | 119.9° |
C24 | C23 | H54 | 119.9° | 119.9° |
C25 | C24 | N37 | 115.9° | 120.0° |
C24 | C25 | H55 | 119.5° | 120.1° |
C24 | N37 | C38 | 127.0° | 120.1° |
C24 | N37 | H67 | 116.5° | 120.0° |
O40 | C38 | N37 | 126.1° | 120.0° |
O40 | C38 | O39 | 124.3° | 120.0° |
N37 | C38 | O39 | 109.6° | 120.0° |
C38 | N37 | H67 | 116.5° | 120.0° |
C38 | O39 | C41 | 116.2° | 117.0° |
O39 | C41 | H68 | 109.5° | 109.4° |
O39 | C41 | H69 | 109.4° | 109.4° |
O39 | C41 | H70 | 109.5° | 109.5° |
H51 | C20 | H52 | 109.5° | 109.5° |
H64 | C34 | H63 | 109.5° | 109.5° |
H62 | C33 | H61 | 109.5° | 109.6° |
H59 | C32 | H60 | 109.5° | 109.5° |
H66 | C35 | H65 | 109.5° | 109.5° |
H68 | C41 | H69 | 109.5° | 109.5° |
H68 | C41 | H70 | 109.4° | 109.5° |
H69 | C41 | H70 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N10 | C9 | N8 | H46 | 180.0° | 180.0° |
C9 | N10 | N11 | N12 | 0.3° | 0.1° |
N10 | C9 | N8 | N12 | 0.2° | 0.0° |
N10 | C9 | N8 | C7 | 175.9° | 179.8° |
N11 | N10 | C9 | N8 | 0.3° | 0.0° |
N10 | N11 | N12 | N8 | 0.1° | 0.1° |
N11 | N10 | C9 | H46 | 179.7° | 180.0° |
C9 | N8 | N12 | N11 | 0.1° | 0.0° |
C9 | N8 | N12 | C7 | 176.7° | 179.8° |
C9 | N8 | C7 | C2 | 57.9° | 46.6° |
C9 | N8 | C7 | C6 | 119.0° | 133.5° |
N11 | N12 | N8 | C7 | 176.6° | 179.7° |
N12 | N8 | C7 | C2 | 126.3° | 133.1° |
N12 | N8 | C7 | C6 | 56.7° | 46.8° |
N12 | N8 | C9 | H46 | 179.8° | 180.0° |
N8 | C7 | C2 | C6 | 177.0° | 179.9° |
N8 | C7 | C2 | C3 | 175.6° | 180.0° |
N8 | C7 | C6 | C13 | 6.4° | 0.1° |
N8 | C7 | C6 | C5 | 175.5° | 180.0° |
N8 | C7 | C2 | H43 | 4.4° | 0.3° |
C7 | N8 | C9 | H46 | 4.1° | 0.3° |
C7 | C2 | C3 | H43 | 180.0° | 179.8° |
C7 | C2 | C3 | C4 | 0.7° | 0.0° |
C2 | C7 | C6 | C13 | 176.6° | 180.0° |
C2 | C7 | C6 | C5 | 1.5° | 0.1° |
C7 | C2 | C3 | H44 | 179.3° | 180.0° |
C3 | C2 | C7 | C6 | 1.5° | 0.0° |
C2 | C3 | C4 | H44 | 180.0° | 180.0° |
C2 | C3 | C4 | C5 | 0.0° | 0.0° |
C2 | C3 | C4 | CL1 | 179.8° | 180.0° |
C7 | C6 | C13 | C5 | 178.1° | 179.9° |
C7 | C6 | C13 | C14 | 120.2° | 164.4° |
C7 | C6 | C5 | C4 | 0.8° | 0.1° |
C7 | C6 | C13 | H47 | 59.9° | 15.7° |
C6 | C7 | C2 | H43 | 178.5° | 179.8° |
C7 | C6 | C5 | H45 | 179.2° | 180.0° |
C28 | N27 | C19 | H56 | 180.0° | 179.9° |
N27 | C28 | C29 | H57 | 180.0° | 180.0° |
C28 | N27 | C19 | C18 | 171.4° | 179.8° |
C28 | N27 | C19 | N30 | 0.6° | 0.4° |
N27 | C28 | C29 | N30 | 0.8° | 0.8° |
N27 | C28 | C29 | C21 | 177.0° | 177.7° |
N27 | C19 | C18 | C20 | 52.0° | 145.7° |
C19 | N27 | C28 | C29 | 0.1° | 0.2° |
N27 | C19 | C18 | N17 | 74.1° | 25.8° |
N27 | C19 | C18 | N30 | 171.0° | 179.7° |
N27 | C19 | N30 | C29 | 1.1° | 0.9° |
N27 | C19 | C18 | H50 | 168.2° | 94.3° |
C19 | N27 | C28 | H57 | 179.9° | 179.8° |
C32 | C20 | C18 | H51 | 120.7° | 120.0° |
C32 | C20 | C18 | H52 | 120.7° | 120.0° |
C20 | C32 | C33 | H59 | 121.1° | 120.0° |
C20 | C32 | C33 | H60 | 121.0° | 119.9° |
C32 | C20 | C18 | N17 | 178.9° | 160.6° |
C32 | C20 | C18 | C19 | 53.4° | 79.5° |
C20 | C32 | C33 | C34 | 174.4° | 152.5° |
C32 | C20 | C18 | H50 | 63.1° | 40.5° |
C32 | C20 | H51 | H52 | 117.8° | 119.9° |
C20 | C32 | C33 | H62 | 53.8° | 32.6° |
C20 | C32 | C33 | H61 | 65.0° | 87.6° |
C20 | C32 | H59 | H60 | 116.7° | 120.0° |
C18 | C20 | C32 | C33 | 47.1° | 144.1° |
C20 | C18 | N17 | C19 | 125.1° | 119.7° |
C20 | C18 | N17 | H50 | 117.5° | 120.2° |
C20 | C18 | N17 | C15 | 159.7° | 155.3° |
C20 | C18 | C19 | H50 | 116.2° | 120.0° |
C20 | C18 | C19 | N30 | 119.0° | 34.0° |
C18 | C20 | H51 | H52 | 117.8° | 120.0° |
C20 | C18 | N17 | H49 | 20.3° | 24.7° |
C18 | C20 | C32 | H59 | 168.2° | 24.1° |
C18 | C20 | C32 | H60 | 73.9° | 96.0° |
C32 | C33 | C34 | H62 | 120.6° | 119.9° |
C32 | C33 | C34 | H61 | 120.6° | 119.9° |
C32 | C33 | C34 | C35 | 126.0° | 144.8° |
C33 | C32 | C20 | H51 | 167.8° | 95.9° |
C33 | C32 | C20 | H52 | 73.6° | 24.1° |
C32 | C33 | C34 | H64 | 113.3° | 24.8° |
C32 | C33 | C34 | H63 | 5.3° | 95.2° |
C32 | C33 | H62 | H61 | 118.1° | 120.2° |
C33 | C32 | H59 | H60 | 116.7° | 120.1° |
C3 | C4 | C5 | C6 | 0.1° | 0.0° |
C3 | C4 | C5 | CL1 | 179.9° | 180.0° |
C4 | C3 | C2 | H43 | 179.3° | 179.8° |
C3 | C4 | C5 | H45 | 179.9° | 179.9° |
C28 | C29 | N30 | C19 | 1.2° | 1.1° |
C28 | C29 | N30 | C21 | 178.2° | 178.4° |
C28 | C29 | C21 | C22 | 48.1° | 12.9° |
C28 | C29 | C21 | C26 | 132.3° | 168.6° |
C29 | C28 | N27 | H56 | 179.9° | 179.9° |
C6 | C13 | C14 | H47 | 180.0° | 179.8° |
C13 | C6 | C5 | C4 | 177.4° | 180.0° |
C6 | C13 | C14 | C15 | 177.9° | 179.7° |
C13 | C6 | C5 | H45 | 2.6° | 0.1° |
C6 | C13 | C14 | H48 | 2.1° | 0.2° |
C5 | C6 | C13 | C14 | 57.9° | 15.7° |
C6 | C5 | C4 | H45 | 180.0° | 179.9° |
C6 | C5 | C4 | CL1 | 179.8° | 180.0° |
C5 | C6 | C13 | H47 | 122.0° | 164.1° |
C13 | C14 | C15 | N17 | 8.6° | 180.0° |
C13 | C14 | C15 | H48 | 180.0° | 179.9° |
C13 | C14 | C15 | O16 | 168.0° | 0.1° |
C18 | N17 | C15 | H49 | 180.0° | 180.0° |
N17 | C18 | C19 | H50 | 117.7° | 120.1° |
N17 | C18 | C19 | N30 | 115.0° | 153.9° |
C18 | N17 | C15 | C14 | 173.2° | 180.0° |
C18 | N17 | C15 | O16 | 10.2° | 0.0° |
N17 | C18 | C20 | H51 | 58.2° | 40.7° |
N17 | C18 | C20 | H52 | 60.4° | 79.3° |
C15 | N17 | C18 | C19 | 75.3° | 85.0° |
N17 | C15 | C14 | O16 | 176.6° | 180.0° |
C15 | N17 | C18 | H50 | 42.2° | 35.1° |
N17 | C15 | C14 | H48 | 171.4° | 0.0° |
C18 | C19 | N30 | C29 | 170.9° | 179.3° |
C19 | C18 | C20 | H51 | 67.4° | 160.5° |
C19 | C18 | C20 | H52 | 174.1° | 40.5° |
C19 | C18 | N17 | H49 | 104.7° | 95.0° |
C18 | C19 | N27 | H56 | 8.6° | 0.2° |
C19 | N30 | C29 | C21 | 177.0° | 177.4° |
N30 | C19 | C18 | H50 | 2.8° | 86.0° |
N30 | C19 | N27 | H56 | 179.4° | 179.5° |
C5 | C4 | C3 | H44 | 180.0° | 180.0° |
CL1 | C4 | C3 | H44 | 0.1° | 0.0° |
CL1 | C4 | C5 | H45 | 0.2° | 0.1° |
O42 | C36 | C35 | C34 | 52.0° | 125.1° |
O42 | C36 | C35 | N31 | 179.2° | 180.0° |
O42 | C36 | N31 | C26 | 10.4° | 1.9° |
O42 | C36 | N31 | H58 | 169.6° | 178.2° |
O42 | C36 | C35 | H66 | 172.6° | 5.1° |
O42 | C36 | C35 | H65 | 68.5° | 114.9° |
C33 | C34 | C35 | H64 | 120.7° | 120.0° |
C33 | C34 | C35 | H63 | 120.7° | 120.0° |
C33 | C34 | C35 | C36 | 63.0° | 101.9° |
C33 | C34 | H64 | H63 | 117.8° | 120.0° |
C34 | C33 | H62 | H61 | 118.0° | 120.2° |
C34 | C33 | C32 | H59 | 64.5° | 32.5° |
C34 | C33 | C32 | H60 | 53.4° | 87.6° |
C33 | C34 | C35 | H66 | 57.5° | 138.1° |
C33 | C34 | C35 | H65 | 176.5° | 18.1° |
C34 | C35 | C36 | H66 | 120.5° | 120.0° |
C34 | C35 | C36 | H65 | 120.5° | 120.0° |
C34 | C35 | C36 | N31 | 127.2° | 54.9° |
C35 | C34 | H64 | H63 | 117.8° | 119.9° |
C35 | C34 | C33 | H62 | 5.4° | 24.9° |
C35 | C34 | C33 | H61 | 113.3° | 95.3° |
C34 | C35 | H66 | H65 | 118.4° | 120.0° |
N30 | C29 | C21 | C22 | 134.2° | 165.3° |
N30 | C29 | C21 | C26 | 45.3° | 13.3° |
N30 | C29 | C28 | H57 | 179.2° | 179.2° |
C29 | C21 | C22 | C26 | 179.6° | 178.6° |
C29 | C21 | C22 | C23 | 178.7° | 176.7° |
C29 | C21 | C26 | N31 | 2.8° | 4.7° |
C29 | C21 | C26 | C25 | 178.6° | 176.3° |
C29 | C21 | C22 | H53 | 1.4° | 3.3° |
C21 | C29 | C28 | H57 | 3.0° | 2.4° |
C15 | C14 | C13 | H47 | 2.1° | 0.1° |
C14 | C15 | N17 | H49 | 6.8° | 0.0° |
O16 | C15 | C14 | H48 | 12.0° | 180.0° |
O16 | C15 | N17 | H49 | 169.7° | 180.0° |
C35 | C36 | N31 | C26 | 170.4° | 178.1° |
C36 | C35 | C34 | H64 | 176.3° | 18.1° |
C36 | C35 | C34 | H63 | 57.7° | 138.1° |
C35 | C36 | N31 | H58 | 9.6° | 1.8° |
C36 | C35 | H66 | H65 | 118.4° | 120.0° |
C36 | N31 | C26 | C21 | 68.1° | 166.1° |
C36 | N31 | C26 | H58 | 180.0° | 179.9° |
C36 | N31 | C26 | C25 | 110.5° | 15.0° |
N31 | C36 | C35 | H66 | 6.7° | 174.9° |
N31 | C36 | C35 | H65 | 112.3° | 65.1° |
C21 | C22 | C23 | H53 | 180.0° | 180.0° |
C22 | C21 | C26 | N31 | 177.7° | 176.7° |
C22 | C21 | C26 | C25 | 0.9° | 2.3° |
C21 | C22 | C23 | C24 | 0.2° | 0.4° |
C21 | C22 | C23 | H54 | 179.8° | 179.6° |
C26 | C21 | C22 | C23 | 0.9° | 1.8° |
C21 | C26 | N31 | C25 | 178.6° | 178.9° |
C21 | C26 | C25 | C24 | 0.2° | 1.2° |
C26 | C21 | C22 | H53 | 179.0° | 178.1° |
C21 | C26 | C25 | H55 | 179.8° | 178.8° |
C21 | C26 | N31 | H58 | 111.9° | 13.8° |
C22 | C23 | C24 | H54 | 180.0° | 180.0° |
C22 | C23 | C24 | C25 | 1.3° | 0.7° |
C22 | C23 | C24 | N37 | 176.7° | 179.3° |
N31 | C26 | C25 | C24 | 178.8° | 177.7° |
N31 | C26 | C25 | H55 | 1.2° | 2.3° |
C26 | C25 | C24 | C23 | 1.3° | 0.3° |
C26 | C25 | C24 | H55 | 180.0° | 180.0° |
C26 | C25 | C24 | N37 | 177.0° | 179.7° |
C25 | C26 | N31 | H58 | 69.5° | 165.1° |
C23 | C24 | C25 | N37 | 175.8° | 180.0° |
C23 | C24 | N37 | C38 | 11.0° | 35.0° |
C24 | C23 | C22 | H53 | 179.8° | 179.6° |
C23 | C24 | C25 | H55 | 178.7° | 179.7° |
C23 | C24 | N37 | H67 | 169.0° | 145.0° |
C25 | C24 | N37 | C38 | 164.5° | 145.0° |
C25 | C24 | C23 | H54 | 178.7° | 179.3° |
C25 | C24 | N37 | H67 | 15.5° | 35.1° |
C24 | N37 | C38 | O40 | 9.8° | 4.8° |
C24 | N37 | C38 | H67 | 180.0° | 179.9° |
C24 | N37 | C38 | O39 | 170.4° | 175.1° |
N37 | C24 | C23 | H54 | 3.4° | 0.7° |
N37 | C24 | C25 | H55 | 3.0° | 0.3° |
O40 | C38 | N37 | O39 | 179.8° | 180.0° |
O40 | C38 | O39 | C41 | 7.6° | 0.0° |
O40 | C38 | N37 | H67 | 170.3° | 175.1° |
N37 | C38 | O39 | C41 | 172.2° | 180.0° |
O39 | C38 | N37 | H67 | 9.6° | 4.9° |
C38 | O39 | C41 | H68 | 180.0° | 59.9° |
C38 | O39 | C41 | H69 | 60.0° | 60.0° |
C38 | O39 | C41 | H70 | 60.0° | 180.0° |
O39 | C41 | H68 | H69 | 120.0° | 119.9° |
O39 | C41 | H68 | H70 | 120.0° | 120.0° |
O39 | C41 | H69 | H70 | 120.0° | 120.1° |
H47 | C13 | C14 | H48 | 177.9° | 180.0° |
H50 | C18 | C20 | H51 | 176.2° | 79.5° |
H50 | C18 | C20 | H52 | 57.6° | 160.5° |
H50 | C18 | N17 | H49 | 137.8° | 144.8° |
H51 | C20 | C32 | H59 | 71.1° | 144.1° |
H51 | C20 | C32 | H60 | 46.8° | 24.1° |
H52 | C20 | C32 | H59 | 47.5° | 96.0° |
H52 | C20 | C32 | H60 | 165.4° | 144.0° |
H53 | C22 | C23 | H54 | 0.1° | 0.4° |
H64 | C34 | C33 | H62 | 126.1° | 95.1° |
H64 | C34 | C33 | H61 | 7.4° | 144.7° |
H64 | C34 | C35 | H66 | 63.2° | 101.9° |
H64 | C34 | C35 | H65 | 55.8° | 138.1° |
H63 | C34 | C33 | H62 | 115.3° | 144.9° |
H63 | C34 | C33 | H61 | 126.0° | 24.7° |
H63 | C34 | C35 | H66 | 178.2° | 18.0° |
H63 | C34 | C35 | H65 | 62.8° | 101.9° |
H62 | C33 | C32 | H59 | 174.8° | 87.4° |
H62 | C33 | C32 | H60 | 67.3° | 152.5° |
H61 | C33 | C32 | H59 | 56.1° | 152.4° |
H61 | C33 | C32 | H60 | 174.0° | 32.3° |
H43 | C2 | C3 | H44 | 0.7° | 0.2° |
H56 | N27 | C28 | H57 | 0.1° | 0.2° |
H68 | C41 | H69 | H70 | 120.0° | 120.0° |