7DS
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 | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C20 | C32 | sing | 1.51Å | 1.51Å | |
| C20 | C18 | sing | 1.53Å | 1.54Å | |
| N27 | C28 | sing | 1.36Å | 1.36Å | Aromatic |
| N27 | C19 | sing | 1.35Å | 1.35Å | Aromatic |
| C32 | C33 | doub | 1.31Å | 1.35Å | |
| C3 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C28 | C29 | doub | 1.37Å | 1.37Å | Aromatic |
| C6 | C13 | sing | 1.47Å | 1.47Å | |
| C6 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C13 | C14 | doub | 1.35Å | 1.33Å | |
| N17 | C18 | sing | 1.46Å | 1.46Å | |
| N17 | C15 | sing | 1.35Å | 1.35Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| 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 | 1.51Å | 1.50Å | |
| C34 | C35 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.46Å | 1.48Å | |
| C29 | N30 | sing | 1.35Å | 1.39Å | Aromatic |
| C29 | C21 | sing | 1.48Å | 1.47Å | |
| C15 | O16 | doub | 1.22Å | 1.24Å | |
| C36 | C35 | sing | 1.51Å | 1.52Å | |
| C36 | N31 | sing | 1.38Å | 1.35Å | |
| C21 | C22 | doub | 1.40Å | 1.40Å | Aromatic |
| C21 | C26 | sing | 1.39Å | 1.42Å | Aromatic |
| C22 | C23 | sing | 1.37Å | 1.39Å | Aromatic |
| N31 | C26 | sing | 1.41Å | 1.42Å | |
| C26 | C25 | doub | 1.40Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | N37 | sing | 1.40Å | 1.42Å | |
| O40 | C38 | doub | 1.21Å | 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 | H63 | sing | 1.09Å | 1.10Å | |
| C34 | H64 | sing | 1.09Å | 1.10Å | |
| C33 | H61 | sing | 1.08Å | 1.08Å | |
| 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 | 1.08Å | 1.08Å | |
| 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° | 110.3° |
| C9 | N8 | N12 | 107.5° | 105.2° |
| C9 | N8 | C7 | 132.2° | 127.4° |
| N8 | C9 | H46 | 125.1° | 126.4° |
| N11 | N12 | N8 | 106.2° | 106.6° |
| N12 | N8 | C7 | 120.3° | 127.4° |
| N8 | C7 | C2 | 119.2° | 120.1° |
| N8 | C7 | C6 | 120.7° | 120.1° |
| C7 | C2 | C3 | 120.4° | 120.1° |
| C2 | C7 | C6 | 120.0° | 119.7° |
| C7 | C2 | H43 | 119.8° | 120.0° |
| C2 | C3 | C4 | 119.3° | 120.4° |
| C3 | C2 | H43 | 119.8° | 119.9° |
| C2 | C3 | H44 | 120.4° | 119.8° |
| C7 | C6 | C13 | 122.8° | 120.2° |
| C7 | C6 | C5 | 119.0° | 119.5° |
| C32 | C20 | C18 | 112.4° | 109.0° |
| C20 | C32 | C33 | 126.6° | 119.9° |
| C32 | C20 | H51 | 108.7° | 109.5° |
| C32 | C20 | H52 | 108.7° | 109.5° |
| C20 | C32 | H59 | 116.7° | 120.1° |
| C20 | C18 | N17 | 112.9° | 109.3° |
| C20 | C18 | C19 | 109.7° | 110.6° |
| C20 | C18 | H50 | 106.8° | 109.2° |
| C18 | C20 | H51 | 108.7° | 109.6° |
| C18 | C20 | H52 | 108.7° | 109.5° |
| C28 | N27 | C19 | 107.5° | 107.4° |
| N27 | C28 | C29 | 106.4° | 106.8° |
| C28 | N27 | H56 | 126.2° | 126.3° |
| N27 | C28 | H57 | 126.8° | 126.6° |
| N27 | C19 | C18 | 123.8° | 123.5° |
| N27 | C19 | N30 | 111.6° | 108.8° |
| C19 | N27 | H56 | 126.3° | 126.3° |
| C32 | C33 | C34 | 125.9° | 119.2° |
| C32 | C33 | H61 | 117.0° | 120.5° |
| C33 | C32 | H59 | 116.7° | 120.0° |
| C3 | C4 | C5 | 121.5° | 120.3° |
| C3 | C4 | CL1 | 119.3° | 119.9° |
| C4 | C3 | H44 | 120.3° | 119.8° |
| C28 | C29 | N30 | 109.2° | 107.3° |
| C28 | C29 | C21 | 131.4° | 123.1° |
| C29 | C28 | H57 | 126.8° | 126.6° |
| C13 | C6 | C5 | 118.1° | 120.3° |
| C6 | C13 | C14 | 125.0° | 120.0° |
| C6 | C13 | H47 | 117.5° | 120.0° |
| C6 | C5 | C4 | 119.8° | 119.9° |
| C6 | C5 | H45 | 120.1° | 120.0° |
| C13 | C14 | C15 | 127.5° | 120.0° |
| C14 | C13 | H47 | 117.5° | 120.0° |
| C13 | C14 | H48 | 116.3° | 120.1° |
| C18 | N17 | C15 | 119.9° | 120.0° |
| N17 | C18 | C19 | 112.4° | 109.3° |
| N17 | C18 | H50 | 107.6° | 109.3° |
| C18 | N17 | H49 | 120.0° | 120.0° |
| N17 | C15 | C14 | 116.0° | 120.0° |
| N17 | C15 | O16 | 121.7° | 120.0° |
| C15 | N17 | H49 | 120.1° | 120.0° |
| C18 | C19 | N30 | 124.3° | 127.7° |
| C19 | C18 | H50 | 107.1° | 109.2° |
| C19 | N30 | C29 | 105.3° | 109.4° |
| C5 | C4 | CL1 | 119.2° | 119.8° |
| C4 | C5 | H45 | 120.1° | 120.1° |
| O42 | C36 | C35 | 122.0° | 122.2° |
| O42 | C36 | N31 | 123.0° | 122.3° |
| C33 | C34 | C35 | 112.9° | 108.8° |
| C33 | C34 | H63 | 108.6° | 109.6° |
| C33 | C34 | H64 | 108.6° | 109.7° |
| C34 | C33 | H61 | 117.0° | 120.3° |
| C34 | C35 | C36 | 111.6° | 110.3° |
| C35 | C34 | H63 | 108.6° | 109.6° |
| C35 | C34 | H64 | 108.6° | 109.6° |
| C34 | C35 | H66 | 109.0° | 109.3° |
| C34 | C35 | H65 | 108.9° | 109.3° |
| C14 | C15 | O16 | 122.2° | 120.0° |
| C15 | C14 | H48 | 116.3° | 120.0° |
| N30 | C29 | C21 | 119.3° | 129.4° |
| C29 | C21 | C22 | 118.3° | 116.4° |
| C29 | C21 | C26 | 123.1° | 124.2° |
| C35 | C36 | N31 | 115.0° | 115.5° |
| C36 | C35 | H66 | 108.9° | 109.3° |
| C36 | C35 | H65 | 109.0° | 109.2° |
| C36 | N31 | C26 | 124.8° | 115.7° |
| C36 | N31 | H58 | 117.6° | 122.2° |
| C22 | C21 | C26 | 118.5° | 119.4° |
| C21 | C22 | C23 | 121.0° | 120.6° |
| C21 | C22 | H53 | 119.5° | 119.7° |
| C21 | C26 | N31 | 120.9° | 125.1° |
| C21 | C26 | C25 | 119.9° | 119.5° |
| C22 | C23 | C24 | 120.3° | 120.0° |
| C23 | C22 | H53 | 119.5° | 119.7° |
| C22 | C23 | H54 | 119.9° | 120.0° |
| N31 | C26 | C25 | 119.2° | 115.4° |
| C26 | N31 | H58 | 117.6° | 122.1° |
| C26 | C25 | C24 | 120.9° | 120.5° |
| C26 | C25 | H55 | 119.6° | 119.8° |
| C23 | C24 | C25 | 119.4° | 120.0° |
| C23 | C24 | N37 | 125.0° | 120.0° |
| C24 | C23 | H54 | 119.9° | 120.0° |
| C25 | C24 | N37 | 115.5° | 120.0° |
| C24 | C25 | H55 | 119.6° | 119.8° |
| C24 | N37 | C38 | 127.0° | 120.0° |
| C24 | N37 | H67 | 116.5° | 120.0° |
| O40 | C38 | N37 | 125.9° | 120.0° |
| O40 | C38 | O39 | 124.5° | 120.0° |
| N37 | C38 | O39 | 109.6° | 119.9° |
| C38 | N37 | H67 | 116.5° | 120.0° |
| C38 | O39 | C41 | 116.4° | 117.0° |
| O39 | C41 | H68 | 109.5° | 109.5° |
| O39 | C41 | H69 | 109.4° | 109.5° |
| O39 | C41 | H70 | 109.4° | 109.5° |
| H51 | C20 | H52 | 109.5° | 109.6° |
| H63 | C34 | H64 | 109.5° | 109.6° |
| H66 | C35 | H65 | 109.5° | 109.4° |
| H68 | C41 | H69 | 109.5° | 109.4° |
| H68 | C41 | H70 | 109.5° | 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 | 0.2° | 0.0° |
| N10 | C9 | N8 | N12 | 0.4° | 0.0° |
| N10 | C9 | N8 | C7 | 176.2° | 179.7° |
| N11 | N10 | C9 | N8 | 0.3° | 0.0° |
| N10 | N11 | N12 | N8 | 0.1° | 0.0° |
| N11 | N10 | C9 | H46 | 179.7° | 180.0° |
| C9 | N8 | N12 | N11 | 0.3° | 0.0° |
| C9 | N8 | N12 | C7 | 177.1° | 179.7° |
| C9 | N8 | C7 | C2 | 61.7° | 46.5° |
| C9 | N8 | C7 | C6 | 117.0° | 133.5° |
| N11 | N12 | N8 | C7 | 176.8° | 179.7° |
| N12 | N8 | C7 | C2 | 122.0° | 133.1° |
| N12 | N8 | C7 | C6 | 59.2° | 46.9° |
| N12 | N8 | C9 | H46 | 179.6° | 180.0° |
| N8 | C7 | C2 | C6 | 178.7° | 180.0° |
| N8 | C7 | C2 | C3 | 176.8° | 180.0° |
| N8 | C7 | C6 | C13 | 6.8° | 0.0° |
| N8 | C7 | C6 | C5 | 177.1° | 180.0° |
| N8 | C7 | C2 | H43 | 3.2° | 0.3° |
| C7 | N8 | C9 | H46 | 3.8° | 0.3° |
| C7 | C2 | C3 | H43 | 180.0° | 179.6° |
| C7 | C2 | C3 | C4 | 1.1° | 0.0° |
| C2 | C7 | C6 | C13 | 174.5° | 180.0° |
| C2 | C7 | C6 | C5 | 1.6° | 0.0° |
| C7 | C2 | C3 | H44 | 178.9° | 180.0° |
| C3 | C2 | C7 | C6 | 1.9° | 0.0° |
| C2 | C3 | C4 | H44 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | CL1 | 179.4° | 180.0° |
| C7 | C6 | C13 | C5 | 176.1° | 180.0° |
| C7 | C6 | C13 | C14 | 119.0° | 164.5° |
| C7 | C6 | C5 | C4 | 0.5° | 0.0° |
| C7 | C6 | C13 | H47 | 61.0° | 15.8° |
| C6 | C7 | C2 | H43 | 178.1° | 179.7° |
| C7 | C6 | C5 | H45 | 179.5° | 180.0° |
| C32 | C20 | C18 | H51 | 120.4° | 119.9° |
| C32 | C20 | C18 | H52 | 120.4° | 119.8° |
| C20 | C32 | C33 | H59 | 180.0° | 179.9° |
| C32 | C20 | C18 | N17 | 177.5° | 177.0° |
| C32 | C20 | C18 | C19 | 56.4° | 56.7° |
| C20 | C32 | C33 | C34 | 177.4° | 178.7° |
| C32 | C20 | C18 | H50 | 59.4° | 63.5° |
| C32 | C20 | H51 | H52 | 118.7° | 120.2° |
| C20 | C32 | C33 | H61 | 2.7° | 1.2° |
| C20 | C18 | C19 | N27 | 53.9° | 138.1° |
| C18 | C20 | C32 | C33 | 39.7° | 153.4° |
| C20 | C18 | N17 | C19 | 124.7° | 121.1° |
| C20 | C18 | N17 | H50 | 117.6° | 119.4° |
| C20 | C18 | N17 | C15 | 162.6° | 153.9° |
| C20 | C18 | C19 | H50 | 115.5° | 120.2° |
| C20 | C18 | C19 | N30 | 118.8° | 40.8° |
| C18 | C20 | H51 | H52 | 118.7° | 120.3° |
| C20 | C18 | N17 | H49 | 17.4° | 26.0° |
| C18 | C20 | C32 | H59 | 140.3° | 26.8° |
| C28 | N27 | C19 | H56 | 180.0° | 180.0° |
| N27 | C28 | C29 | H57 | 180.0° | 180.0° |
| C28 | N27 | C19 | C18 | 173.1° | 176.4° |
| C28 | N27 | C19 | N30 | 0.4° | 4.5° |
| N27 | C28 | C29 | N30 | 0.4° | 1.8° |
| N27 | C28 | C29 | C21 | 176.8° | 173.4° |
| C19 | N27 | C28 | C29 | 0.0° | 1.6° |
| N27 | C19 | C18 | N17 | 72.5° | 17.8° |
| N27 | C19 | C18 | N30 | 172.7° | 179.0° |
| N27 | C19 | N30 | C29 | 0.7° | 5.7° |
| N27 | C19 | C18 | H50 | 169.5° | 101.7° |
| C19 | N27 | C28 | H57 | 180.0° | 178.4° |
| C32 | C33 | C34 | H61 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 132.0° | 99.0° |
| C33 | C32 | C20 | H51 | 160.1° | 86.7° |
| C33 | C32 | C20 | H52 | 80.8° | 33.6° |
| C32 | C33 | C34 | H63 | 107.4° | 20.8° |
| C32 | C33 | C34 | H64 | 11.5° | 141.1° |
| C3 | C4 | C5 | C6 | 0.4° | 0.0° |
| C3 | C4 | C5 | CL1 | 179.5° | 180.0° |
| C4 | C3 | C2 | H43 | 178.9° | 179.7° |
| C3 | C4 | C5 | H45 | 179.6° | 180.0° |
| C28 | C29 | N30 | C19 | 0.7° | 4.7° |
| C28 | C29 | N30 | C21 | 177.6° | 174.8° |
| C28 | C29 | C21 | C22 | 46.9° | 32.6° |
| C28 | C29 | C21 | C26 | 134.2° | 144.1° |
| C29 | C28 | N27 | H56 | 180.0° | 178.4° |
| C6 | C13 | C14 | H47 | 180.0° | 179.7° |
| C13 | C6 | C5 | C4 | 175.8° | 180.0° |
| C6 | C13 | C14 | C15 | 179.4° | 179.7° |
| C13 | C6 | C5 | H45 | 4.2° | 0.1° |
| C6 | C13 | C14 | H48 | 0.6° | 0.3° |
| C5 | C6 | C13 | C14 | 57.1° | 15.6° |
| C6 | C5 | C4 | H45 | 180.0° | 180.0° |
| C6 | C5 | C4 | CL1 | 179.1° | 180.0° |
| C5 | C6 | C13 | H47 | 122.9° | 164.1° |
| C13 | C14 | C15 | N17 | 7.8° | 180.0° |
| C13 | C14 | C15 | H48 | 180.0° | 180.0° |
| C13 | C14 | C15 | O16 | 168.3° | 0.0° |
| C18 | N17 | C15 | H49 | 180.0° | 180.0° |
| N17 | C18 | C19 | H50 | 118.0° | 119.5° |
| N17 | C18 | C19 | N30 | 114.8° | 161.1° |
| C18 | N17 | C15 | C14 | 175.5° | 180.0° |
| C18 | N17 | C15 | O16 | 8.4° | 0.0° |
| N17 | C18 | C20 | H51 | 62.1° | 63.1° |
| N17 | C18 | C20 | H52 | 57.1° | 57.2° |
| C15 | N17 | C18 | C19 | 72.7° | 85.0° |
| N17 | C15 | C14 | O16 | 176.1° | 179.9° |
| C15 | N17 | C18 | H50 | 45.0° | 34.5° |
| N17 | C15 | C14 | H48 | 172.2° | 0.0° |
| C18 | C19 | N30 | C29 | 172.9° | 175.2° |
| C19 | C18 | C20 | H51 | 64.1° | 176.5° |
| C19 | C18 | C20 | H52 | 176.8° | 63.1° |
| C19 | C18 | N17 | H49 | 107.3° | 95.1° |
| C18 | C19 | N27 | H56 | 6.9° | 3.7° |
| C19 | N30 | C29 | C21 | 176.9° | 170.1° |
| N30 | C19 | C18 | H50 | 3.3° | 79.4° |
| N30 | C19 | N27 | H56 | 179.5° | 175.5° |
| C5 | C4 | C3 | H44 | 180.0° | 180.0° |
| CL1 | C4 | C3 | H44 | 0.6° | 0.0° |
| CL1 | C4 | C5 | H45 | 0.9° | 0.0° |
| O42 | C36 | C35 | C34 | 47.4° | 18.5° |
| O42 | C36 | C35 | N31 | 179.9° | 180.0° |
| O42 | C36 | N31 | C26 | 8.0° | 16.9° |
| O42 | C36 | N31 | H58 | 171.9° | 163.2° |
| O42 | C36 | C35 | H66 | 167.7° | 101.7° |
| O42 | C36 | C35 | H65 | 72.9° | 138.7° |
| C33 | C34 | C35 | H63 | 120.5° | 119.8° |
| C33 | C34 | C35 | H64 | 120.5° | 120.0° |
| C33 | C34 | C35 | C36 | 59.6° | 64.5° |
| C33 | C34 | H63 | H64 | 118.4° | 120.4° |
| C34 | C33 | C32 | H59 | 2.6° | 1.4° |
| C33 | C34 | C35 | H66 | 60.7° | 175.3° |
| C33 | C34 | C35 | H65 | 179.9° | 55.6° |
| C34 | C35 | C36 | H66 | 120.3° | 120.2° |
| C34 | C35 | C36 | H65 | 120.3° | 120.2° |
| C34 | C35 | C36 | N31 | 132.7° | 161.4° |
| C35 | C34 | H63 | H64 | 118.4° | 120.3° |
| C35 | C34 | C33 | H61 | 48.0° | 80.9° |
| C34 | C35 | H66 | H65 | 119.0° | 119.7° |
| C15 | C14 | C13 | H47 | 0.6° | 0.0° |
| C14 | C15 | N17 | H49 | 4.5° | 0.0° |
| N30 | C29 | C21 | C22 | 136.1° | 141.4° |
| N30 | C29 | C21 | C26 | 42.8° | 41.8° |
| N30 | C29 | C28 | H57 | 179.6° | 178.2° |
| C29 | C21 | C22 | C26 | 179.0° | 176.9° |
| C29 | C21 | C22 | C23 | 177.0° | 176.9° |
| C29 | C21 | C26 | N31 | 3.6° | 3.4° |
| C29 | C21 | C26 | C25 | 177.3° | 176.7° |
| C29 | C21 | C22 | H53 | 3.0° | 3.1° |
| C21 | C29 | C28 | H57 | 3.2° | 6.6° |
| O16 | C15 | C14 | H48 | 11.7° | 180.0° |
| O16 | C15 | N17 | H49 | 171.6° | 179.9° |
| C35 | C36 | N31 | C26 | 171.8° | 163.1° |
| C36 | C35 | C34 | H63 | 179.9° | 55.3° |
| C36 | C35 | C34 | H64 | 60.9° | 175.6° |
| C35 | C36 | N31 | H58 | 8.2° | 16.8° |
| C36 | C35 | H66 | H65 | 119.0° | 119.5° |
| C36 | N31 | C26 | C21 | 65.8° | 59.5° |
| C36 | N31 | C26 | H58 | 180.0° | 179.9° |
| C36 | N31 | C26 | C25 | 113.3° | 120.4° |
| N31 | C36 | C35 | H66 | 12.4° | 78.3° |
| N31 | C36 | C35 | H65 | 107.0° | 41.3° |
| C21 | C22 | C23 | H53 | 180.0° | 180.0° |
| C22 | C21 | C26 | N31 | 177.5° | 179.9° |
| C22 | C21 | C26 | C25 | 1.6° | 0.0° |
| C21 | C22 | C23 | C24 | 0.4° | 0.0° |
| C21 | C22 | C23 | H54 | 179.6° | 180.0° |
| C26 | C21 | C22 | C23 | 1.9° | 0.0° |
| C21 | C26 | N31 | C25 | 179.1° | 179.9° |
| C21 | C26 | C25 | C24 | 0.4° | 0.0° |
| C26 | C21 | C22 | H53 | 178.0° | 180.0° |
| C21 | C26 | C25 | H55 | 179.6° | 179.9° |
| C21 | C26 | N31 | H58 | 114.2° | 120.5° |
| C22 | C23 | C24 | H54 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 1.7° | 0.0° |
| C22 | C23 | C24 | N37 | 176.9° | 180.0° |
| N31 | C26 | C25 | C24 | 179.5° | 179.9° |
| N31 | C26 | C25 | H55 | 0.5° | 0.1° |
| C26 | C25 | C24 | C23 | 2.0° | 0.0° |
| C26 | C25 | C24 | H55 | 180.0° | 180.0° |
| C26 | C25 | C24 | N37 | 177.7° | 180.0° |
| C25 | C26 | N31 | H58 | 66.7° | 59.6° |
| C23 | C24 | C25 | N37 | 175.7° | 180.0° |
| C23 | C24 | N37 | C38 | 12.3° | 35.0° |
| C24 | C23 | C22 | H53 | 179.6° | 180.0° |
| C23 | C24 | C25 | H55 | 177.9° | 180.0° |
| C23 | C24 | N37 | H67 | 167.7° | 145.0° |
| C25 | C24 | N37 | C38 | 163.1° | 145.0° |
| C25 | C24 | C23 | H54 | 178.4° | 180.0° |
| C25 | C24 | N37 | H67 | 17.0° | 35.0° |
| C24 | N37 | C38 | O40 | 8.8° | 4.9° |
| C24 | N37 | C38 | H67 | 180.0° | 180.0° |
| C24 | N37 | C38 | O39 | 171.6° | 175.2° |
| N37 | C24 | C23 | H54 | 3.1° | 0.0° |
| N37 | C24 | C25 | H55 | 2.3° | 0.1° |
| O40 | C38 | N37 | O39 | 179.5° | 180.0° |
| O40 | C38 | O39 | C41 | 3.4° | 0.0° |
| O40 | C38 | N37 | H67 | 171.2° | 175.1° |
| N37 | C38 | O39 | C41 | 176.1° | 180.0° |
| O39 | C38 | N37 | H67 | 8.4° | 4.8° |
| C38 | O39 | C41 | H68 | 180.0° | 60.0° |
| C38 | O39 | C41 | H69 | 60.0° | 180.0° |
| C38 | O39 | C41 | H70 | 60.0° | 60.0° |
| O39 | C41 | H68 | H69 | 120.0° | 120.0° |
| O39 | C41 | H68 | H70 | 120.0° | 120.0° |
| O39 | C41 | H69 | H70 | 120.0° | 120.1° |
| H47 | C13 | C14 | H48 | 179.5° | 180.0° |
| H50 | C18 | C20 | H51 | 179.8° | 56.3° |
| H50 | C18 | C20 | H52 | 61.0° | 176.6° |
| H50 | C18 | N17 | H49 | 135.0° | 145.5° |
| H51 | C20 | C32 | H59 | 19.9° | 93.2° |
| H52 | C20 | C32 | H59 | 99.2° | 146.6° |
| H53 | C22 | C23 | H54 | 0.4° | 0.0° |
| H63 | C34 | C33 | H61 | 72.5° | 159.3° |
| H63 | C34 | C35 | H66 | 59.8° | 64.9° |
| H63 | C34 | C35 | H65 | 59.6° | 175.4° |
| H64 | C34 | C33 | H61 | 168.5° | 39.0° |
| H64 | C34 | C35 | H66 | 178.8° | 55.3° |
| H64 | C34 | C35 | H65 | 59.4° | 64.3° |
| H61 | C33 | C32 | H59 | 177.4° | 178.7° |
| H43 | C2 | C3 | H44 | 1.1° | 0.3° |
| H56 | N27 | C28 | H57 | 0.0° | 1.6° |
| H68 | C41 | H69 | H70 | 120.0° | 120.0° |
