QLJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N39 | C38 | doub | 1.31Å | 1.30Å | Aromatic |
| N39 | N40 | sing | 1.28Å | 1.35Å | Aromatic |
| C38 | N37 | sing | 1.35Å | 1.34Å | Aromatic |
| N40 | N41 | doub | 1.29Å | 1.30Å | Aromatic |
| N37 | N41 | sing | 1.41Å | 1.36Å | Aromatic |
| N37 | C32 | sing | 1.40Å | 1.43Å | |
| C14 | N13 | doub | 1.32Å | 1.35Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C32 | doub | 1.39Å | 1.40Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.40Å | 1.40Å | Aromatic |
| N13 | C10 | sing | 1.32Å | 1.34Å | Aromatic |
| C15 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| C34 | C35 | doub | 1.39Å | 1.38Å | Aromatic |
| C31 | C30 | sing | 1.47Å | 1.47Å | |
| C31 | C36 | doub | 1.40Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.53Å | 1.56Å | |
| C23 | C11 | sing | 1.53Å | 1.53Å | |
| C30 | C28 | doub | 1.35Å | 1.32Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C10 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| N12 | C11 | sing | 1.46Å | 1.46Å | |
| N12 | C27 | sing | 1.35Å | 1.35Å | |
| C35 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | CL1 | sing | 1.74Å | 1.75Å | |
| O43 | C42 | doub | 1.21Å | 1.20Å | |
| C16 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | C3 | sing | 1.48Å | 1.49Å | |
| C28 | C27 | sing | 1.46Å | 1.48Å | |
| C27 | O29 | doub | 1.22Å | 1.22Å | |
| C42 | C18 | sing | 1.51Å | 1.52Å | |
| C42 | O44 | sing | 1.34Å | 1.33Å | |
| C25 | C26 | sing | 1.52Å | 1.54Å | |
| C18 | C26 | sing | 1.53Å | 1.54Å | |
| C18 | N8 | sing | 1.47Å | 1.46Å | |
| C3 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| O44 | C46 | sing | 1.45Å | 1.47Å | |
| C46 | C45 | sing | 1.53Å | 1.50Å | |
| N8 | C2 | sing | 1.41Å | 1.41Å | |
| C2 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | N9 | sing | 1.40Å | 1.42Å | |
| O20 | C19 | doub | 1.22Å | 1.21Å | |
| N9 | C19 | sing | 1.35Å | 1.36Å | |
| C19 | O21 | sing | 1.35Å | 1.34Å | |
| O21 | C22 | sing | 1.45Å | 1.45Å | |
| C18 | H57 | sing | 1.10Å | 1.10Å | |
| C17 | H56 | sing | 1.08Å | 1.08Å | |
| C15 | H55 | sing | 1.08Å | 1.08Å | |
| C22 | H58 | sing | 1.09Å | 1.10Å | |
| C22 | H59 | sing | 1.09Å | 1.10Å | |
| C22 | H60 | sing | 1.09Å | 1.10Å | |
| C23 | H62 | sing | 1.09Å | 1.10Å | |
| C23 | H61 | sing | 1.09Å | 1.10Å | |
| C24 | H63 | sing | 1.09Å | 1.10Å | |
| C24 | H64 | sing | 1.09Å | 1.10Å | |
| C11 | H52 | sing | 1.09Å | 1.10Å | |
| C34 | H72 | sing | 1.08Å | 1.08Å | |
| C33 | H71 | sing | 1.08Å | 1.08Å | |
| C4 | H47 | sing | 1.08Å | 1.08Å | |
| C5 | H48 | sing | 1.08Å | 1.08Å | |
| C7 | H49 | sing | 1.08Å | 1.08Å | |
| N8 | H50 | sing | 0.97Å | 1.00Å | |
| N9 | H51 | sing | 0.97Å | 1.00Å | |
| N12 | H53 | sing | 0.97Å | 1.00Å | |
| C14 | H54 | sing | 1.08Å | 1.08Å | |
| C25 | H65 | sing | 1.10Å | 1.10Å | |
| C25 | H66 | sing | 1.08Å | 1.10Å | |
| C26 | H67 | sing | 1.10Å | 1.10Å | |
| C26 | H68 | sing | 1.10Å | 1.10Å | |
| C28 | H69 | sing | 1.08Å | 1.08Å | |
| C30 | H70 | sing | 1.08Å | 1.08Å | |
| C36 | H73 | sing | 1.08Å | 1.08Å | |
| C38 | H74 | sing | 1.08Å | 1.08Å | |
| C45 | H76 | sing | 1.09Å | 1.10Å | |
| C45 | H75 | sing | 1.09Å | 1.10Å | |
| C45 | H77 | sing | 1.09Å | 1.10Å | |
| C46 | H78 | sing | 1.09Å | 1.10Å | |
| C46 | H79 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C38 | N39 | N40 | 105.5° | 110.7° |
| N39 | C38 | N37 | 110.0° | 107.2° |
| N39 | C38 | H74 | 125.0° | 126.4° |
| N39 | N40 | N41 | 110.9° | 110.2° |
| C38 | N37 | N41 | 107.1° | 105.2° |
| C38 | N37 | C32 | 133.6° | 127.4° |
| N37 | C38 | H74 | 125.0° | 126.4° |
| N40 | N41 | N37 | 106.4° | 106.6° |
| N41 | N37 | C32 | 118.0° | 127.4° |
| N37 | C32 | C33 | 120.0° | 120.1° |
| N37 | C32 | C31 | 119.8° | 120.2° |
| N13 | C14 | C15 | 123.6° | 121.1° |
| C14 | N13 | C10 | 117.1° | 121.7° |
| N13 | C14 | H54 | 118.2° | 119.4° |
| C14 | C15 | C16 | 119.0° | 118.9° |
| C14 | C15 | H55 | 120.5° | 120.5° |
| C15 | C14 | H54 | 118.2° | 119.5° |
| C32 | C33 | C34 | 120.3° | 120.1° |
| C33 | C32 | C31 | 119.8° | 119.7° |
| C32 | C33 | H71 | 119.8° | 119.9° |
| C33 | C34 | C35 | 119.2° | 120.4° |
| C33 | C34 | H72 | 120.4° | 119.8° |
| C34 | C33 | H71 | 119.8° | 119.9° |
| C32 | C31 | C30 | 123.1° | 120.2° |
| C32 | C31 | C36 | 119.1° | 119.6° |
| N13 | C10 | C11 | 117.2° | 120.8° |
| N13 | C10 | C17 | 122.9° | 120.4° |
| C15 | C16 | C17 | 117.6° | 117.4° |
| C15 | C16 | C3 | 122.1° | 121.3° |
| C16 | C15 | H55 | 120.5° | 120.6° |
| C34 | C35 | C36 | 121.4° | 120.3° |
| C34 | C35 | CL1 | 119.5° | 119.8° |
| C35 | C34 | H72 | 120.4° | 119.8° |
| C30 | C31 | C36 | 117.7° | 120.2° |
| C31 | C30 | C28 | 123.4° | 120.0° |
| C31 | C30 | H70 | 118.3° | 120.0° |
| C31 | C36 | C35 | 119.8° | 119.9° |
| C31 | C36 | H73 | 120.1° | 120.1° |
| C24 | C23 | C11 | 113.9° | 110.1° |
| C23 | C24 | C25 | 115.5° | 110.1° |
| C24 | C23 | H62 | 108.4° | 109.5° |
| C24 | C23 | H61 | 108.3° | 109.5° |
| C23 | C24 | H63 | 107.9° | 109.9° |
| C23 | C24 | H64 | 108.0° | 109.0° |
| C23 | C11 | C10 | 108.8° | 108.8° |
| C23 | C11 | N12 | 113.5° | 109.5° |
| C11 | C23 | H62 | 108.3° | 109.2° |
| C11 | C23 | H61 | 108.4° | 109.3° |
| C23 | C11 | H52 | 106.7° | 109.5° |
| C30 | C28 | C27 | 129.4° | 120.0° |
| C30 | C28 | H69 | 115.3° | 120.0° |
| C28 | C30 | H70 | 118.3° | 120.0° |
| C24 | C25 | C26 | 115.4° | 110.2° |
| C25 | C24 | H63 | 107.9° | 110.0° |
| C25 | C24 | H64 | 107.9° | 109.0° |
| C24 | C25 | H65 | 107.9° | 108.2° |
| C24 | C25 | H66 | 107.9° | 110.9° |
| C11 | C10 | C17 | 119.3° | 118.7° |
| C10 | C11 | N12 | 113.0° | 109.6° |
| C10 | C11 | H52 | 106.9° | 109.7° |
| C10 | C17 | C16 | 119.8° | 119.2° |
| C10 | C17 | H56 | 120.1° | 119.8° |
| C11 | N12 | C27 | 118.6° | 120.0° |
| N12 | C11 | H52 | 107.5° | 109.7° |
| C11 | N12 | H53 | 120.7° | 120.0° |
| N12 | C27 | C28 | 116.4° | 120.0° |
| N12 | C27 | O29 | 121.9° | 120.0° |
| C27 | N12 | H53 | 120.7° | 120.0° |
| C36 | C35 | CL1 | 119.0° | 119.9° |
| C35 | C36 | H73 | 120.1° | 120.0° |
| O43 | C42 | C18 | 123.5° | 120.0° |
| O43 | C42 | O44 | 124.3° | 120.0° |
| C17 | C16 | C3 | 120.2° | 121.3° |
| C16 | C17 | H56 | 120.1° | 120.8° |
| C16 | C3 | C4 | 118.5° | 120.5° |
| C16 | C3 | C2 | 122.6° | 120.0° |
| C28 | C27 | O29 | 121.6° | 120.0° |
| C27 | C28 | H69 | 115.3° | 120.0° |
| C18 | C42 | O44 | 112.2° | 120.0° |
| C42 | C18 | C26 | 109.3° | 108.9° |
| C42 | C18 | N8 | 113.8° | 109.7° |
| C42 | C18 | H57 | 107.1° | 108.6° |
| C42 | O44 | C46 | 117.6° | 117.0° |
| C25 | C26 | C18 | 115.6° | 112.8° |
| C26 | C25 | H65 | 108.0° | 108.5° |
| C26 | C25 | H66 | 108.0° | 111.3° |
| C25 | C26 | H67 | 107.9° | 109.2° |
| C25 | C26 | H68 | 107.9° | 109.1° |
| C26 | C18 | N8 | 111.4° | 111.0° |
| C26 | C18 | H57 | 107.0° | 109.0° |
| C18 | C26 | H67 | 107.9° | 108.9° |
| C18 | C26 | H68 | 107.9° | 108.9° |
| C18 | N8 | C2 | 124.4° | 118.0° |
| N8 | C18 | H57 | 107.9° | 109.6° |
| C18 | N8 | H50 | 105.6° | 121.7° |
| C4 | C3 | C2 | 118.7° | 119.5° |
| C3 | C4 | C5 | 121.0° | 120.2° |
| C3 | C4 | H47 | 119.5° | 120.0° |
| C3 | C2 | N8 | 120.6° | 118.5° |
| C3 | C2 | C7 | 119.5° | 119.8° |
| C4 | C5 | C6 | 120.3° | 120.3° |
| C5 | C4 | H47 | 119.5° | 119.8° |
| C4 | C5 | H48 | 119.9° | 119.9° |
| O44 | C46 | C45 | 108.0° | 109.5° |
| O44 | C46 | H78 | 109.8° | 109.5° |
| O44 | C46 | H79 | 109.8° | 109.4° |
| C46 | C45 | H76 | 109.5° | 109.5° |
| C46 | C45 | H75 | 109.5° | 109.4° |
| C46 | C45 | H77 | 109.4° | 109.4° |
| C45 | C46 | H78 | 109.8° | 109.5° |
| C45 | C46 | H79 | 109.8° | 109.5° |
| N8 | C2 | C7 | 119.9° | 121.7° |
| C2 | N8 | H50 | 105.6° | 120.3° |
| C2 | C7 | C6 | 121.2° | 120.3° |
| C2 | C7 | H49 | 119.4° | 120.5° |
| C5 | C6 | C7 | 119.2° | 119.9° |
| C5 | C6 | N9 | 124.3° | 120.1° |
| C6 | C5 | H48 | 119.9° | 119.8° |
| C7 | C6 | N9 | 116.4° | 120.0° |
| C6 | C7 | H49 | 119.4° | 119.3° |
| C6 | N9 | C19 | 127.1° | 120.0° |
| C6 | N9 | H51 | 116.5° | 120.0° |
| O20 | C19 | N9 | 126.2° | 120.0° |
| O20 | C19 | O21 | 123.9° | 120.0° |
| N9 | C19 | O21 | 109.8° | 120.0° |
| C19 | N9 | H51 | 116.5° | 120.0° |
| C19 | O21 | C22 | 115.6° | 117.0° |
| O21 | C22 | H58 | 109.5° | 109.5° |
| O21 | C22 | H59 | 109.4° | 109.4° |
| O21 | C22 | H60 | 109.4° | 109.5° |
| H58 | C22 | H59 | 109.5° | 109.5° |
| H58 | C22 | H60 | 109.5° | 109.5° |
| H59 | C22 | H60 | 109.5° | 109.5° |
| H62 | C23 | H61 | 109.5° | 109.2° |
| H63 | C24 | H64 | 109.5° | 108.9° |
| H65 | C25 | H66 | 109.5° | 107.7° |
| H67 | C26 | H68 | 109.5° | 107.9° |
| H76 | C45 | H75 | 109.4° | 109.6° |
| H76 | C45 | H77 | 109.5° | 109.5° |
| H75 | C45 | H77 | 109.5° | 109.5° |
| H78 | C46 | H79 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N39 | C38 | N37 | H74 | 180.0° | 180.0° |
| C38 | N39 | N40 | N41 | 1.6° | 0.0° |
| N39 | C38 | N37 | N41 | 3.3° | 0.0° |
| N39 | C38 | N37 | C32 | 170.0° | 179.8° |
| N40 | N39 | C38 | N37 | 3.0° | 0.0° |
| N39 | N40 | N41 | N37 | 0.4° | 0.0° |
| N40 | N39 | C38 | H74 | 177.0° | 180.0° |
| C38 | N37 | N41 | N40 | 2.2° | 0.0° |
| C38 | N37 | N41 | C32 | 169.1° | 179.8° |
| C38 | N37 | C32 | C33 | 42.5° | 49.2° |
| C38 | N37 | C32 | C31 | 143.9° | 130.7° |
| N40 | N41 | N37 | C32 | 171.3° | 179.8° |
| N41 | N37 | C32 | C33 | 123.1° | 130.5° |
| N41 | N37 | C32 | C31 | 50.5° | 49.5° |
| N41 | N37 | C38 | H74 | 176.7° | 180.0° |
| N37 | C32 | C33 | C31 | 173.6° | 180.0° |
| N37 | C32 | C33 | C34 | 177.1° | 180.0° |
| N37 | C32 | C31 | C30 | 4.7° | 0.3° |
| N37 | C32 | C31 | C36 | 179.6° | 179.7° |
| N37 | C32 | C33 | H71 | 2.8° | 0.1° |
| C32 | N37 | C38 | H74 | 10.0° | 0.2° |
| N13 | C14 | C15 | H54 | 180.0° | 180.0° |
| N13 | C14 | C15 | C16 | 0.1° | 1.0° |
| C14 | N13 | C10 | C11 | 170.1° | 176.6° |
| C14 | N13 | C10 | C17 | 1.2° | 4.2° |
| N13 | C14 | C15 | H55 | 179.8° | 176.5° |
| C15 | C14 | N13 | C10 | 0.3° | 2.6° |
| C14 | C15 | C16 | H55 | 180.0° | 177.5° |
| C14 | C15 | C16 | C17 | 1.4° | 6.9° |
| C14 | C15 | C16 | C3 | 174.2° | 172.2° |
| C32 | C33 | C34 | H71 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 1.6° | 0.0° |
| C33 | C32 | C31 | C30 | 178.3° | 179.7° |
| C33 | C32 | C31 | C36 | 6.0° | 0.2° |
| C32 | C33 | C34 | H72 | 178.4° | 179.7° |
| C34 | C33 | C32 | C31 | 3.6° | 0.0° |
| C33 | C34 | C35 | H72 | 180.0° | 179.7° |
| C33 | C34 | C35 | C36 | 4.3° | 0.2° |
| C33 | C34 | C35 | CL1 | 173.0° | 179.7° |
| C32 | C31 | C30 | C36 | 175.7° | 179.4° |
| C32 | C31 | C30 | C28 | 129.0° | 174.4° |
| C32 | C31 | C36 | C35 | 3.4° | 0.5° |
| C31 | C32 | C33 | H71 | 176.4° | 180.0° |
| C32 | C31 | C30 | H70 | 51.0° | 5.6° |
| C32 | C31 | C36 | H73 | 176.6° | 179.9° |
| N13 | C10 | C11 | C23 | 62.3° | 110.7° |
| N13 | C10 | C11 | C17 | 171.6° | 179.2° |
| N13 | C10 | C11 | N12 | 64.7° | 9.0° |
| N13 | C10 | C17 | C16 | 2.7° | 12.4° |
| N13 | C10 | C17 | H56 | 177.3° | 173.1° |
| N13 | C10 | C11 | H52 | 177.2° | 129.6° |
| C10 | N13 | C14 | H54 | 179.7° | 177.5° |
| C15 | C16 | C17 | C10 | 2.7° | 13.4° |
| C15 | C16 | C17 | C3 | 175.7° | 179.1° |
| C15 | C16 | C3 | C4 | 46.3° | 26.3° |
| C15 | C16 | C3 | C2 | 138.8° | 151.4° |
| C15 | C16 | C17 | H56 | 177.3° | 172.1° |
| C16 | C15 | C14 | H54 | 179.9° | 179.0° |
| C34 | C35 | C36 | C31 | 1.7° | 0.5° |
| C34 | C35 | C36 | CL1 | 177.3° | 179.9° |
| C35 | C34 | C33 | H71 | 178.4° | 180.0° |
| C34 | C35 | C36 | H73 | 178.3° | 180.0° |
| C31 | C30 | C28 | H70 | 180.0° | 179.9° |
| C30 | C31 | C36 | C35 | 179.3° | 179.9° |
| C31 | C30 | C28 | C27 | 177.5° | 180.0° |
| C31 | C30 | C28 | H69 | 2.5° | 0.1° |
| C30 | C31 | C36 | H73 | 0.7° | 0.5° |
| C36 | C31 | C30 | C28 | 55.3° | 5.0° |
| C31 | C36 | C35 | H73 | 180.0° | 179.6° |
| C31 | C36 | C35 | CL1 | 175.6° | 179.5° |
| C36 | C31 | C30 | H70 | 124.7° | 174.9° |
| C24 | C23 | C11 | H62 | 120.7° | 120.3° |
| C24 | C23 | C11 | H61 | 120.6° | 120.3° |
| C23 | C24 | C25 | H63 | 120.9° | 121.2° |
| C23 | C24 | C25 | H64 | 120.9° | 119.5° |
| C24 | C23 | C11 | C10 | 53.6° | 89.0° |
| C24 | C23 | C11 | N12 | 179.7° | 151.2° |
| C23 | C24 | C25 | C26 | 160.7° | 167.1° |
| C24 | C23 | H62 | H61 | 118.0° | 119.8° |
| C23 | C24 | H63 | H64 | 117.3° | 119.3° |
| C24 | C23 | C11 | H52 | 61.4° | 30.9° |
| C23 | C24 | C25 | H65 | 39.8° | 74.4° |
| C23 | C24 | C25 | H66 | 78.4° | 43.4° |
| C11 | C23 | C24 | C25 | 55.5° | 136.9° |
| C23 | C11 | C10 | N12 | 127.0° | 119.7° |
| C23 | C11 | C10 | H52 | 114.9° | 119.7° |
| C23 | C11 | C10 | C17 | 109.3° | 70.1° |
| C23 | C11 | N12 | H52 | 117.8° | 120.2° |
| C23 | C11 | N12 | C27 | 147.9° | 155.0° |
| C11 | C23 | H62 | H61 | 118.0° | 119.5° |
| C11 | C23 | C24 | H63 | 176.4° | 15.7° |
| C11 | C23 | C24 | H64 | 65.4° | 103.5° |
| C23 | C11 | N12 | H53 | 32.1° | 25.0° |
| C30 | C28 | C27 | N12 | 9.7° | 180.0° |
| C30 | C28 | C27 | H69 | 180.0° | 179.9° |
| C30 | C28 | C27 | O29 | 168.5° | 0.1° |
| C24 | C25 | C26 | H65 | 120.9° | 118.3° |
| C24 | C25 | C26 | H66 | 120.8° | 123.5° |
| C24 | C25 | C26 | C18 | 69.8° | 85.3° |
| C25 | C24 | C23 | H62 | 176.1° | 16.8° |
| C25 | C24 | C23 | H61 | 65.2° | 102.9° |
| C25 | C24 | H63 | H64 | 117.2° | 119.4° |
| C24 | C25 | H65 | H66 | 117.3° | 119.9° |
| C24 | C25 | C26 | H67 | 169.2° | 153.5° |
| C24 | C25 | C26 | H68 | 51.1° | 35.8° |
| C10 | C11 | N12 | H52 | 117.7° | 120.5° |
| C10 | C11 | N12 | C27 | 87.5° | 85.7° |
| C11 | C10 | C17 | C16 | 168.4° | 168.4° |
| C11 | C10 | C17 | H56 | 11.6° | 6.1° |
| C10 | C11 | C23 | H62 | 67.1° | 31.3° |
| C10 | C11 | C23 | H61 | 174.2° | 150.7° |
| C10 | C11 | N12 | H53 | 92.4° | 94.3° |
| C17 | C10 | C11 | N12 | 123.6° | 170.2° |
| C10 | C17 | C16 | H56 | 180.0° | 174.5° |
| C10 | C17 | C16 | C3 | 172.9° | 165.7° |
| C17 | C10 | C11 | H52 | 5.6° | 49.6° |
| C11 | N12 | C27 | H53 | 180.0° | 180.0° |
| C11 | N12 | C27 | C28 | 179.5° | 180.0° |
| C11 | N12 | C27 | O29 | 2.2° | 0.0° |
| N12 | C11 | C23 | H62 | 59.7° | 88.6° |
| N12 | C11 | C23 | H61 | 59.0° | 30.9° |
| N12 | C27 | C28 | O29 | 178.3° | 179.9° |
| C27 | N12 | C11 | H52 | 30.2° | 34.8° |
| N12 | C27 | C28 | H69 | 170.3° | 0.1° |
| C36 | C35 | C34 | H72 | 175.7° | 179.9° |
| CL1 | C35 | C34 | H72 | 7.0° | 0.0° |
| CL1 | C35 | C36 | H73 | 4.4° | 0.1° |
| O43 | C42 | C18 | O44 | 178.8° | 179.9° |
| O43 | C42 | C18 | C26 | 77.2° | 100.0° |
| O43 | C42 | C18 | N8 | 157.6° | 21.7° |
| O43 | C42 | O44 | C46 | 1.8° | 0.1° |
| O43 | C42 | C18 | H57 | 38.4° | 141.4° |
| C17 | C16 | C3 | C4 | 138.3° | 154.7° |
| C17 | C16 | C3 | C2 | 36.6° | 27.6° |
| C17 | C16 | C15 | H55 | 178.7° | 175.6° |
| C16 | C3 | C4 | C2 | 175.1° | 177.7° |
| C16 | C3 | C4 | C5 | 174.7° | 179.1° |
| C16 | C3 | C2 | N8 | 9.7° | 2.8° |
| C16 | C3 | C2 | C7 | 172.2° | 178.3° |
| C3 | C16 | C17 | H56 | 7.1° | 8.8° |
| C3 | C16 | C15 | H55 | 5.8° | 5.3° |
| C16 | C3 | C4 | H47 | 5.2° | 0.8° |
| C28 | C27 | N12 | H53 | 0.5° | 0.0° |
| C27 | C28 | C30 | H70 | 2.5° | 0.0° |
| O29 | C27 | N12 | H53 | 177.8° | 180.0° |
| O29 | C27 | C28 | H69 | 11.5° | 180.0° |
| C42 | C18 | C26 | C25 | 162.3° | 120.6° |
| C42 | C18 | C26 | N8 | 126.6° | 120.9° |
| C42 | C18 | C26 | H57 | 115.7° | 118.3° |
| C42 | C18 | N8 | H57 | 118.7° | 119.2° |
| C18 | C42 | O44 | C46 | 179.4° | 180.0° |
| C42 | C18 | N8 | C2 | 61.0° | 71.4° |
| C42 | C18 | N8 | H50 | 176.9° | 110.7° |
| C42 | C18 | C26 | H67 | 76.8° | 118.0° |
| C42 | C18 | C26 | H68 | 41.4° | 0.7° |
| O44 | C42 | C18 | C26 | 101.6° | 80.0° |
| O44 | C42 | C18 | N8 | 23.7° | 158.4° |
| C42 | O44 | C46 | C45 | 169.2° | 180.0° |
| O44 | C42 | C18 | H57 | 142.8° | 38.6° |
| C42 | O44 | C46 | H78 | 71.1° | 60.0° |
| C42 | O44 | C46 | H79 | 49.4° | 60.0° |
| C25 | C26 | C18 | H67 | 120.9° | 121.4° |
| C25 | C26 | C18 | H68 | 120.9° | 121.3° |
| C25 | C26 | C18 | N8 | 71.1° | 0.3° |
| C25 | C26 | C18 | H57 | 46.6° | 121.1° |
| C26 | C25 | C24 | H63 | 78.4° | 45.9° |
| C26 | C25 | C24 | H64 | 39.8° | 73.4° |
| C26 | C25 | H65 | H66 | 117.3° | 120.5° |
| C25 | C26 | H67 | H68 | 117.2° | 118.4° |
| C26 | C18 | N8 | H57 | 117.1° | 120.4° |
| C26 | C18 | N8 | C2 | 174.8° | 168.2° |
| C26 | C18 | N8 | H50 | 52.8° | 9.8° |
| C18 | C26 | C25 | H65 | 51.0° | 156.4° |
| C18 | C26 | C25 | H66 | 169.3° | 38.2° |
| C18 | C26 | H67 | H68 | 117.2° | 118.0° |
| C18 | N8 | C2 | C3 | 65.4° | 164.6° |
| C18 | N8 | C2 | H50 | 122.1° | 178.0° |
| C18 | N8 | C2 | C7 | 112.7° | 16.5° |
| N8 | C18 | C26 | H67 | 49.8° | 121.1° |
| N8 | C18 | C26 | H68 | 168.0° | 121.6° |
| C3 | C4 | C5 | H47 | 180.0° | 179.9° |
| C4 | C3 | C2 | N8 | 175.4° | 174.9° |
| C4 | C3 | C2 | C7 | 2.7° | 4.0° |
| C3 | C4 | C5 | C6 | 2.3° | 0.4° |
| C3 | C4 | C5 | H48 | 177.7° | 179.6° |
| C2 | C3 | C4 | C5 | 0.3° | 3.1° |
| C3 | C2 | N8 | C7 | 178.1° | 178.9° |
| C3 | C2 | C7 | C6 | 2.5° | 2.1° |
| C2 | C3 | C4 | H47 | 179.7° | 177.0° |
| C3 | C2 | C7 | H49 | 177.5° | 178.2° |
| C3 | C2 | N8 | H50 | 56.7° | 17.4° |
| C4 | C5 | C6 | H48 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 2.5° | 1.5° |
| C4 | C5 | C6 | N9 | 180.0° | 179.1° |
| O44 | C46 | C45 | H78 | 119.8° | 120.0° |
| O44 | C46 | C45 | H79 | 119.8° | 120.0° |
| O44 | C46 | C45 | H76 | 180.0° | 60.0° |
| O44 | C46 | C45 | H75 | 60.0° | 180.0° |
| O44 | C46 | C45 | H77 | 60.0° | 60.0° |
| O44 | C46 | H78 | H79 | 120.7° | 120.0° |
| C46 | C45 | H76 | H75 | 120.0° | 120.0° |
| C46 | C45 | H76 | H77 | 120.0° | 119.9° |
| C46 | C45 | H75 | H77 | 120.0° | 119.9° |
| C45 | C46 | H78 | H79 | 120.7° | 120.0° |
| N8 | C2 | C7 | C6 | 175.6° | 176.8° |
| C2 | N8 | C18 | H57 | 57.7° | 47.8° |
| N8 | C2 | C7 | H49 | 4.4° | 2.9° |
| C2 | C7 | C6 | C5 | 0.1° | 0.6° |
| C2 | C7 | C6 | H49 | 180.0° | 179.7° |
| C2 | C7 | C6 | N9 | 177.8° | 179.9° |
| C7 | C2 | N8 | H50 | 125.2° | 161.5° |
| C5 | C6 | C7 | N9 | 177.7° | 179.5° |
| C5 | C6 | N9 | C19 | 9.1° | 35.2° |
| C6 | C5 | C4 | H47 | 177.7° | 179.7° |
| C5 | C6 | C7 | H49 | 179.8° | 179.1° |
| C5 | C6 | N9 | H51 | 170.9° | 144.9° |
| C7 | C6 | N9 | C19 | 168.5° | 145.4° |
| C7 | C6 | C5 | H48 | 177.5° | 178.5° |
| C7 | C6 | N9 | H51 | 11.6° | 34.5° |
| C6 | N9 | C19 | O20 | 5.8° | 4.5° |
| C6 | N9 | C19 | H51 | 180.0° | 179.9° |
| C6 | N9 | C19 | O21 | 173.6° | 175.5° |
| N9 | C6 | C5 | H48 | 0.1° | 1.0° |
| N9 | C6 | C7 | H49 | 2.1° | 0.4° |
| O20 | C19 | N9 | O21 | 179.4° | 180.0° |
| O20 | C19 | O21 | C22 | 1.0° | 0.0° |
| O20 | C19 | N9 | H51 | 174.2° | 175.6° |
| N9 | C19 | O21 | C22 | 179.6° | 179.9° |
| C19 | O21 | C22 | H58 | 180.0° | 60.0° |
| C19 | O21 | C22 | H59 | 60.0° | 60.0° |
| C19 | O21 | C22 | H60 | 60.0° | 180.0° |
| O21 | C19 | N9 | H51 | 6.4° | 4.4° |
| O21 | C22 | H58 | H59 | 120.0° | 119.9° |
| O21 | C22 | H58 | H60 | 120.0° | 120.0° |
| O21 | C22 | H59 | H60 | 120.0° | 120.0° |
| H57 | C18 | N8 | H50 | 64.4° | 130.2° |
| H57 | C18 | C26 | H67 | 167.5° | 0.3° |
| H57 | C18 | C26 | H68 | 74.3° | 117.7° |
| H55 | C15 | C14 | H54 | 0.2° | 3.5° |
| H58 | C22 | H59 | H60 | 120.0° | 120.0° |
| H62 | C23 | C24 | H63 | 63.0° | 104.4° |
| H62 | C23 | C24 | H64 | 55.2° | 136.4° |
| H62 | C23 | C11 | H52 | 177.9° | 151.1° |
| H61 | C23 | C24 | H63 | 55.7° | 135.9° |
| H61 | C23 | C24 | H64 | 173.9° | 16.7° |
| H61 | C23 | C11 | H52 | 59.2° | 89.4° |
| H63 | C24 | C25 | H65 | 160.7° | 164.4° |
| H63 | C24 | C25 | H66 | 42.4° | 77.7° |
| H64 | C24 | C25 | H65 | 81.0° | 45.1° |
| H64 | C24 | C25 | H66 | 160.7° | 163.0° |
| H52 | C11 | N12 | H53 | 149.9° | 145.2° |
| H72 | C34 | C33 | H71 | 1.6° | 0.2° |
| H47 | C4 | C5 | H48 | 2.3° | 0.3° |
| H65 | C25 | C26 | H67 | 69.9° | 35.2° |
| H65 | C25 | C26 | H68 | 171.9° | 82.4° |
| H66 | C25 | C26 | H67 | 48.4° | 83.0° |
| H66 | C25 | C26 | H68 | 69.8° | 159.3° |
| H69 | C28 | C30 | H70 | 177.5° | 180.0° |
| H76 | C45 | H75 | H77 | 120.0° | 120.1° |
| H76 | C45 | C46 | H78 | 60.2° | 60.1° |
| H76 | C45 | C46 | H79 | 60.2° | 179.9° |
| H75 | C45 | C46 | H78 | 179.8° | 60.0° |
| H75 | C45 | C46 | H79 | 59.8° | 60.0° |
| H77 | C45 | C46 | H78 | 59.8° | 180.0° |
| H77 | C45 | C46 | H79 | 179.8° | 60.0° |
