QEY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N41 | C40 | doub | 1.30Å | 1.32Å | Aromatic |
| N41 | N37 | sing | 1.40Å | 1.37Å | Aromatic |
| C40 | C39 | sing | 1.42Å | 1.41Å | Aromatic |
| C14 | N13 | doub | 1.32Å | 1.35Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| N13 | C10 | sing | 1.32Å | 1.34Å | Aromatic |
| C36 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C35 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| N37 | C35 | sing | 1.40Å | 1.41Å | |
| N37 | C38 | sing | 1.35Å | 1.36Å | Aromatic |
| C15 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | C11 | sing | 1.53Å | 1.53Å | |
| C35 | C34 | doub | 1.39Å | 1.38Å | Aromatic |
| N12 | C11 | sing | 1.47Å | 1.45Å | |
| N12 | C29 | sing | 1.35Å | 1.34Å | |
| C39 | C29 | sing | 1.47Å | 1.44Å | |
| C39 | C38 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C10 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | O30 | doub | 1.22Å | 1.23Å | |
| C38 | N42 | sing | 1.38Å | 1.37Å | |
| C34 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | F43 | sing | 1.35Å | 1.34Å | |
| C33 | CL1 | sing | 1.74Å | 1.74Å | |
| C16 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | C3 | sing | 1.48Å | 1.49Å | |
| O27 | C18 | doub | 1.21Å | 1.23Å | |
| C28 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C18 | C26 | sing | 1.51Å | 1.52Å | |
| C18 | N8 | sing | 1.35Å | 1.36Å | |
| C3 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| N8 | C2 | sing | 1.40Å | 1.42Å | |
| C2 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | N9 | sing | 1.40Å | 1.42Å | |
| O20 | C19 | doub | 1.21Å | 1.21Å | |
| N9 | C19 | sing | 1.35Å | 1.36Å | |
| C19 | O21 | sing | 1.35Å | 1.34Å | |
| O21 | C22 | sing | 1.45Å | 1.45Å | |
| C17 | H53 | sing | 1.08Å | 1.08Å | |
| C15 | H52 | sing | 1.08Å | 1.08Å | |
| C22 | H54 | sing | 1.09Å | 1.10Å | |
| C22 | H55 | sing | 1.09Å | 1.10Å | |
| C22 | H56 | sing | 1.09Å | 1.10Å | |
| C23 | H57 | sing | 1.09Å | 1.10Å | |
| C23 | H58 | sing | 1.09Å | 1.10Å | |
| C24 | H59 | sing | 1.09Å | 1.10Å | |
| C24 | H60 | sing | 1.09Å | 1.10Å | |
| C11 | H49 | sing | 1.09Å | 1.10Å | |
| C4 | H44 | sing | 1.08Å | 1.08Å | |
| C5 | H45 | sing | 1.08Å | 1.08Å | |
| C7 | H46 | sing | 1.08Å | 1.08Å | |
| N8 | H47 | sing | 0.97Å | 1.00Å | |
| N9 | H48 | sing | 0.97Å | 1.00Å | |
| N12 | H50 | sing | 0.97Å | 1.00Å | |
| C14 | H51 | sing | 1.08Å | 1.08Å | |
| C25 | H61 | sing | 1.09Å | 1.10Å | |
| C25 | H62 | sing | 1.09Å | 1.10Å | |
| C26 | H63 | sing | 1.09Å | 1.10Å | |
| C28 | H65 | sing | 1.09Å | 1.10Å | |
| C28 | H66 | sing | 1.09Å | 1.10Å | |
| C28 | H64 | sing | 1.09Å | 1.10Å | |
| C31 | H67 | sing | 1.08Å | 1.08Å | |
| C32 | H68 | sing | 1.08Å | 1.08Å | |
| C36 | H69 | sing | 1.08Å | 1.08Å | |
| C40 | H70 | sing | 1.08Å | 1.08Å | |
| N42 | H71 | sing | 0.97Å | 1.00Å | |
| N42 | H72 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C40 | N41 | N37 | 104.4° | 109.3° |
| N41 | C40 | C39 | 112.4° | 108.2° |
| N41 | C40 | H70 | 123.8° | 125.9° |
| N41 | N37 | C35 | 119.9° | 125.8° |
| N41 | N37 | C38 | 112.2° | 108.5° |
| C40 | C39 | C29 | 132.4° | 126.5° |
| C40 | C39 | C38 | 104.5° | 107.0° |
| C39 | C40 | H70 | 123.8° | 125.9° |
| N13 | C14 | C15 | 123.7° | 121.1° |
| C14 | N13 | C10 | 117.0° | 121.9° |
| N13 | C14 | H51 | 118.1° | 119.5° |
| C14 | C15 | C16 | 119.1° | 119.0° |
| C14 | C15 | H52 | 120.4° | 120.5° |
| C15 | C14 | H51 | 118.1° | 119.4° |
| N13 | C10 | C11 | 116.4° | 119.5° |
| N13 | C10 | C17 | 122.9° | 120.9° |
| C31 | C36 | C35 | 118.7° | 120.0° |
| C36 | C31 | C32 | 120.8° | 120.1° |
| C36 | C31 | H67 | 119.6° | 120.0° |
| C31 | C36 | H69 | 120.7° | 120.0° |
| C36 | C35 | N37 | 121.1° | 120.1° |
| C36 | C35 | C34 | 120.6° | 119.8° |
| C35 | C36 | H69 | 120.6° | 120.0° |
| C31 | C32 | C33 | 119.4° | 120.1° |
| C32 | C31 | H67 | 119.6° | 119.9° |
| C31 | C32 | H68 | 120.3° | 120.0° |
| C35 | N37 | C38 | 127.8° | 125.7° |
| N37 | C35 | C34 | 117.9° | 120.1° |
| N37 | C38 | C39 | 106.5° | 107.1° |
| N37 | C38 | N42 | 123.9° | 126.4° |
| C15 | C16 | C17 | 117.4° | 117.9° |
| C15 | C16 | C3 | 121.4° | 119.4° |
| C16 | C15 | H52 | 120.5° | 120.5° |
| C24 | C23 | C11 | 114.7° | 109.5° |
| C23 | C24 | C25 | 115.4° | 109.5° |
| C24 | C23 | H57 | 108.1° | 109.5° |
| C24 | C23 | H58 | 108.1° | 109.5° |
| C23 | C24 | H59 | 108.0° | 109.5° |
| C23 | C24 | H60 | 108.0° | 109.4° |
| C23 | C11 | N12 | 110.3° | 109.5° |
| C23 | C11 | C10 | 113.2° | 109.4° |
| C11 | C23 | H57 | 108.2° | 109.5° |
| C11 | C23 | H58 | 108.1° | 109.5° |
| C23 | C11 | H49 | 107.7° | 109.4° |
| C35 | C34 | C33 | 120.2° | 119.9° |
| C35 | C34 | F43 | 119.9° | 120.1° |
| C11 | N12 | C29 | 121.8° | 120.0° |
| N12 | C11 | C10 | 109.1° | 109.5° |
| N12 | C11 | H49 | 108.6° | 109.5° |
| C11 | N12 | H50 | 119.1° | 120.0° |
| N12 | C29 | C39 | 115.6° | 120.0° |
| N12 | C29 | O30 | 123.7° | 120.0° |
| C29 | N12 | H50 | 119.1° | 120.0° |
| C29 | C39 | C38 | 123.1° | 126.5° |
| C39 | C29 | O30 | 120.6° | 120.0° |
| C39 | C38 | N42 | 129.5° | 126.5° |
| C11 | C10 | C17 | 120.1° | 119.6° |
| C10 | C11 | H49 | 107.8° | 109.5° |
| C10 | C17 | C16 | 119.8° | 119.3° |
| C10 | C17 | H53 | 120.1° | 120.3° |
| C24 | C25 | C26 | 115.1° | 109.5° |
| C25 | C24 | H59 | 108.0° | 109.5° |
| C25 | C24 | H60 | 108.0° | 109.5° |
| C24 | C25 | H61 | 108.0° | 109.5° |
| C24 | C25 | H62 | 108.1° | 109.5° |
| C32 | C33 | C34 | 120.2° | 120.0° |
| C32 | C33 | CL1 | 120.1° | 120.0° |
| C33 | C32 | H68 | 120.3° | 119.9° |
| C38 | N42 | H71 | 109.5° | 120.0° |
| C38 | N42 | H72 | 109.5° | 120.0° |
| C33 | C34 | F43 | 119.7° | 120.0° |
| C34 | C33 | CL1 | 119.7° | 120.0° |
| C17 | C16 | C3 | 121.1° | 122.7° |
| C16 | C17 | H53 | 120.1° | 120.4° |
| C16 | C3 | C4 | 118.5° | 117.8° |
| C16 | C3 | C2 | 123.1° | 122.8° |
| O27 | C18 | C26 | 121.9° | 120.0° |
| O27 | C18 | N8 | 122.8° | 120.1° |
| C28 | C26 | C25 | 111.4° | 109.5° |
| C28 | C26 | C18 | 110.6° | 109.5° |
| C28 | C26 | H63 | 107.3° | 109.5° |
| C26 | C28 | H65 | 109.5° | 109.5° |
| C26 | C28 | H66 | 109.5° | 109.5° |
| C26 | C28 | H64 | 109.5° | 109.5° |
| C25 | C26 | C18 | 112.6° | 109.5° |
| C26 | C25 | H61 | 108.1° | 109.4° |
| C26 | C25 | H62 | 108.0° | 109.5° |
| C25 | C26 | H63 | 107.2° | 109.4° |
| C26 | C18 | N8 | 115.2° | 119.8° |
| C18 | C26 | H63 | 107.4° | 109.5° |
| C18 | N8 | C2 | 125.7° | 120.4° |
| C18 | N8 | H47 | 117.1° | 119.8° |
| C4 | C3 | C2 | 118.4° | 119.3° |
| C3 | C4 | C5 | 121.0° | 120.4° |
| C3 | C4 | H44 | 119.5° | 119.8° |
| C3 | C2 | N8 | 121.0° | 122.3° |
| C3 | C2 | C7 | 120.5° | 119.5° |
| C4 | C5 | C6 | 120.4° | 120.1° |
| C5 | C4 | H44 | 119.5° | 119.8° |
| C4 | C5 | H45 | 119.8° | 119.9° |
| N8 | C2 | C7 | 118.5° | 118.1° |
| C2 | N8 | H47 | 117.1° | 119.7° |
| C2 | C7 | C6 | 120.1° | 120.4° |
| C2 | C7 | H46 | 119.9° | 119.8° |
| C5 | C6 | C7 | 119.6° | 120.0° |
| C5 | C6 | N9 | 123.2° | 120.0° |
| C6 | C5 | H45 | 119.8° | 120.0° |
| C7 | C6 | N9 | 117.3° | 120.0° |
| C6 | C7 | H46 | 120.0° | 119.8° |
| C6 | N9 | C19 | 127.3° | 120.0° |
| C6 | N9 | H48 | 116.4° | 120.0° |
| O20 | C19 | N9 | 126.1° | 120.0° |
| O20 | C19 | O21 | 124.3° | 120.0° |
| N9 | C19 | O21 | 109.5° | 120.0° |
| C19 | N9 | H48 | 116.3° | 120.0° |
| C19 | O21 | C22 | 115.9° | 117.0° |
| O21 | C22 | H54 | 109.5° | 109.5° |
| O21 | C22 | H55 | 109.5° | 109.5° |
| O21 | C22 | H56 | 109.4° | 109.5° |
| H54 | C22 | H55 | 109.5° | 109.5° |
| H54 | C22 | H56 | 109.5° | 109.5° |
| H55 | C22 | H56 | 109.5° | 109.4° |
| H57 | C23 | H58 | 109.5° | 109.4° |
| H59 | C24 | H60 | 109.5° | 109.4° |
| H61 | C25 | H62 | 109.5° | 109.4° |
| H65 | C28 | H66 | 109.5° | 109.4° |
| H65 | C28 | H64 | 109.4° | 109.5° |
| H66 | C28 | H64 | 109.5° | 109.5° |
| H71 | N42 | H72 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N41 | C40 | C39 | H70 | 180.0° | 179.8° |
| C40 | N41 | N37 | C35 | 176.3° | 179.9° |
| C40 | N41 | N37 | C38 | 0.1° | 0.4° |
| N41 | C40 | C39 | C29 | 177.0° | 179.7° |
| N41 | C40 | C39 | C38 | 1.8° | 0.2° |
| N37 | N41 | C40 | C39 | 1.2° | 0.4° |
| N41 | N37 | C35 | C36 | 81.8° | 130.8° |
| N41 | N37 | C35 | C38 | 175.9° | 179.7° |
| N41 | N37 | C35 | C34 | 105.0° | 49.2° |
| N41 | N37 | C38 | C39 | 1.0° | 0.3° |
| N41 | N37 | C38 | N42 | 176.0° | 179.8° |
| N37 | N41 | C40 | H70 | 178.8° | 179.8° |
| C40 | C39 | C38 | N37 | 1.6° | 0.0° |
| C40 | C39 | C29 | N12 | 5.6° | 0.1° |
| C40 | C39 | C29 | C38 | 178.6° | 179.9° |
| C40 | C39 | C29 | O30 | 172.2° | 180.0° |
| C40 | C39 | C38 | N42 | 175.2° | 180.0° |
| N13 | C14 | C15 | H51 | 180.0° | 179.9° |
| N13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C14 | N13 | C10 | C11 | 167.8° | 180.0° |
| C14 | N13 | C10 | C17 | 3.1° | 0.1° |
| N13 | C14 | C15 | H52 | 179.8° | 179.9° |
| C15 | C14 | N13 | C10 | 1.2° | 0.1° |
| C14 | C15 | C16 | H52 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 1.0° | 0.0° |
| C14 | C15 | C16 | C3 | 174.7° | 179.8° |
| N13 | C10 | C11 | C23 | 67.8° | 83.5° |
| N13 | C10 | C11 | N12 | 55.4° | 36.4° |
| N13 | C10 | C11 | C17 | 171.2° | 179.9° |
| N13 | C10 | C17 | C16 | 4.0° | 0.1° |
| N13 | C10 | C17 | H53 | 176.0° | 179.9° |
| N13 | C10 | C11 | H49 | 173.2° | 156.5° |
| C10 | N13 | C14 | H51 | 178.8° | 180.0° |
| C31 | C36 | C35 | H69 | 180.0° | 179.2° |
| C36 | C31 | C32 | H67 | 180.0° | 179.4° |
| C31 | C36 | C35 | N37 | 175.4° | 179.5° |
| C31 | C36 | C35 | C34 | 2.4° | 0.5° |
| C36 | C31 | C32 | C33 | 0.7° | 0.6° |
| C36 | C31 | C32 | H68 | 179.4° | 179.4° |
| C35 | C36 | C31 | C32 | 1.6° | 0.8° |
| C36 | C35 | N37 | C34 | 173.2° | 180.0° |
| C36 | C35 | N37 | C38 | 102.3° | 49.6° |
| C36 | C35 | C34 | C33 | 0.9° | 0.1° |
| C36 | C35 | C34 | F43 | 173.6° | 179.7° |
| C35 | C36 | C31 | H67 | 178.5° | 179.8° |
| C31 | C32 | C33 | H68 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 2.2° | 0.1° |
| C31 | C32 | C33 | CL1 | 175.5° | 180.0° |
| C32 | C31 | C36 | H69 | 178.5° | 180.0° |
| C35 | N37 | C38 | C39 | 177.1° | 180.0° |
| C35 | N37 | C38 | N42 | 0.1° | 0.1° |
| N37 | C35 | C34 | C33 | 174.2° | 180.0° |
| N37 | C35 | C34 | F43 | 0.4° | 0.3° |
| N37 | C35 | C36 | H69 | 4.6° | 0.3° |
| C38 | N37 | C35 | C34 | 70.9° | 130.5° |
| N37 | C38 | C39 | C29 | 177.4° | 180.0° |
| N37 | C38 | C39 | N42 | 176.8° | 180.0° |
| N37 | C38 | N42 | H71 | 180.0° | 5.0° |
| N37 | C38 | N42 | H72 | 60.0° | 175.0° |
| C15 | C16 | C17 | C10 | 2.8° | 0.0° |
| C15 | C16 | C17 | C3 | 175.7° | 179.9° |
| C15 | C16 | C3 | C4 | 42.9° | 19.3° |
| C15 | C16 | C3 | C2 | 134.2° | 159.1° |
| C15 | C16 | C17 | H53 | 177.2° | 180.0° |
| C16 | C15 | C14 | H51 | 179.8° | 180.0° |
| C24 | C23 | C11 | H57 | 120.8° | 120.0° |
| C24 | C23 | C11 | H58 | 120.8° | 120.1° |
| C24 | C23 | C11 | N12 | 177.1° | 141.2° |
| C24 | C23 | C11 | C10 | 54.5° | 98.8° |
| C23 | C24 | C25 | H59 | 120.9° | 120.1° |
| C23 | C24 | C25 | H60 | 120.9° | 120.0° |
| C23 | C24 | C25 | C26 | 158.2° | 122.2° |
| C24 | C23 | H57 | H58 | 117.6° | 120.1° |
| C23 | C24 | H59 | H60 | 117.3° | 119.9° |
| C24 | C23 | C11 | H49 | 64.6° | 21.2° |
| C23 | C24 | C25 | H61 | 37.4° | 117.8° |
| C23 | C24 | C25 | H62 | 80.9° | 2.2° |
| C23 | C11 | N12 | C10 | 124.9° | 119.9° |
| C23 | C11 | N12 | H49 | 117.8° | 120.0° |
| C23 | C11 | N12 | C29 | 149.7° | 155.0° |
| C23 | C11 | C10 | H49 | 119.0° | 119.9° |
| C23 | C11 | C10 | C17 | 103.4° | 96.6° |
| C11 | C23 | C24 | C25 | 54.9° | 101.1° |
| C11 | C23 | H57 | H58 | 117.6° | 120.0° |
| C11 | C23 | C24 | H59 | 175.8° | 19.0° |
| C11 | C23 | C24 | H60 | 65.9° | 138.9° |
| C23 | C11 | N12 | H50 | 30.3° | 25.0° |
| C35 | C34 | C33 | C32 | 1.4° | 0.3° |
| C35 | C34 | C33 | F43 | 174.5° | 179.7° |
| C35 | C34 | C33 | CL1 | 176.2° | 179.7° |
| C34 | C35 | C36 | H69 | 177.7° | 179.7° |
| C11 | N12 | C29 | H50 | 180.0° | 179.9° |
| C11 | N12 | C29 | C39 | 173.1° | 180.0° |
| N12 | C11 | C10 | H49 | 117.8° | 120.1° |
| N12 | C11 | C10 | C17 | 133.4° | 143.4° |
| C11 | N12 | C29 | O30 | 9.2° | 0.1° |
| N12 | C11 | C23 | H57 | 56.3° | 98.8° |
| N12 | C11 | C23 | H58 | 62.2° | 21.2° |
| N12 | C29 | C39 | O30 | 177.8° | 179.9° |
| N12 | C29 | C39 | C38 | 175.8° | 180.0° |
| C29 | N12 | C11 | C10 | 85.4° | 85.1° |
| C29 | N12 | C11 | H49 | 31.9° | 34.9° |
| C29 | C39 | C38 | N42 | 5.9° | 0.0° |
| C39 | C29 | N12 | H50 | 7.0° | 0.0° |
| C29 | C39 | C40 | H70 | 3.0° | 0.0° |
| C38 | C39 | C29 | O30 | 6.5° | 0.1° |
| C38 | C39 | C40 | H70 | 178.2° | 180.0° |
| C39 | C38 | N42 | H71 | 3.7° | 175.0° |
| C39 | C38 | N42 | H72 | 123.8° | 5.0° |
| C11 | C10 | C17 | C16 | 166.6° | 179.9° |
| C11 | C10 | C17 | H53 | 13.4° | 0.0° |
| C10 | C11 | C23 | H57 | 66.2° | 21.2° |
| C10 | C11 | C23 | H58 | 175.3° | 141.2° |
| C10 | C11 | N12 | H50 | 94.6° | 94.9° |
| C10 | C17 | C16 | H53 | 180.0° | 180.0° |
| C10 | C17 | C16 | C3 | 172.9° | 179.9° |
| C17 | C10 | C11 | H49 | 15.6° | 23.3° |
| C24 | C25 | C26 | C28 | 58.2° | 131.4° |
| C24 | C25 | C26 | H61 | 120.8° | 120.1° |
| C24 | C25 | C26 | H62 | 120.8° | 120.0° |
| C24 | C25 | C26 | C18 | 66.8° | 108.5° |
| C25 | C24 | C23 | H57 | 175.7° | 18.9° |
| C25 | C24 | C23 | H58 | 65.8° | 138.9° |
| C25 | C24 | H59 | H60 | 117.3° | 120.0° |
| C24 | C25 | H61 | H62 | 117.5° | 120.0° |
| C24 | C25 | C26 | H63 | 175.3° | 11.4° |
| C32 | C33 | C34 | CL1 | 177.6° | 180.0° |
| C32 | C33 | C34 | F43 | 175.9° | 179.9° |
| C33 | C32 | C31 | H67 | 179.3° | 180.0° |
| O30 | C29 | N12 | H50 | 170.7° | 180.0° |
| C38 | N42 | H71 | H72 | 120.0° | 180.0° |
| C34 | C33 | C32 | H68 | 177.9° | 180.0° |
| F43 | C34 | C33 | CL1 | 1.7° | 0.0° |
| CL1 | C33 | C32 | H68 | 4.5° | 0.0° |
| C17 | C16 | C3 | C4 | 141.5° | 160.6° |
| C17 | C16 | C3 | C2 | 41.4° | 21.0° |
| C17 | C16 | C15 | H52 | 179.0° | 179.9° |
| C16 | C3 | C4 | C2 | 177.2° | 178.5° |
| C16 | C3 | C4 | C5 | 177.0° | 177.6° |
| C16 | C3 | C2 | N8 | 2.5° | 4.6° |
| C16 | C3 | C2 | C7 | 177.1° | 176.2° |
| C3 | C16 | C17 | H53 | 7.1° | 0.1° |
| C3 | C16 | C15 | H52 | 5.2° | 0.2° |
| C16 | C3 | C4 | H44 | 3.0° | 2.4° |
| O27 | C18 | C26 | C28 | 31.2° | 100.2° |
| O27 | C18 | C26 | C25 | 94.2° | 19.8° |
| O27 | C18 | C26 | N8 | 177.0° | 179.7° |
| O27 | C18 | N8 | C2 | 2.5° | 1.3° |
| O27 | C18 | N8 | H47 | 177.6° | 178.7° |
| O27 | C18 | C26 | H63 | 148.0° | 139.7° |
| C28 | C26 | C25 | C18 | 125.0° | 120.0° |
| C28 | C26 | C25 | H63 | 117.1° | 120.0° |
| C28 | C26 | C18 | H63 | 116.8° | 120.0° |
| C28 | C26 | C18 | N8 | 151.8° | 80.1° |
| C28 | C26 | C25 | H61 | 179.0° | 11.4° |
| C28 | C26 | C25 | H62 | 62.7° | 108.5° |
| C26 | C28 | H65 | H66 | 120.0° | 120.0° |
| C26 | C28 | H65 | H64 | 120.0° | 120.0° |
| C26 | C28 | H66 | H64 | 120.0° | 120.0° |
| C25 | C26 | C18 | H63 | 117.8° | 119.9° |
| C25 | C26 | C18 | N8 | 82.8° | 159.9° |
| C26 | C25 | C24 | H59 | 80.9° | 2.1° |
| C26 | C25 | C24 | H60 | 37.4° | 117.8° |
| C26 | C25 | H61 | H62 | 117.4° | 120.0° |
| C25 | C26 | C28 | H65 | 180.0° | 180.0° |
| C25 | C26 | C28 | H66 | 60.0° | 60.0° |
| C25 | C26 | C28 | H64 | 60.0° | 60.0° |
| C26 | C18 | N8 | C2 | 179.4° | 178.9° |
| C26 | C18 | N8 | H47 | 0.6° | 1.1° |
| C18 | C26 | C25 | H61 | 54.0° | 131.4° |
| C18 | C26 | C25 | H62 | 172.4° | 11.5° |
| C18 | C26 | C28 | H65 | 53.9° | 60.0° |
| C18 | C26 | C28 | H66 | 173.9° | 180.0° |
| C18 | C26 | C28 | H64 | 66.1° | 60.0° |
| C18 | N8 | C2 | C3 | 70.2° | 40.3° |
| C18 | N8 | C2 | H47 | 180.0° | 180.0° |
| C18 | N8 | C2 | C7 | 109.4° | 138.9° |
| N8 | C18 | C26 | H63 | 35.0° | 40.0° |
| C3 | C4 | C5 | H44 | 180.0° | 179.9° |
| C4 | C3 | C2 | N8 | 179.6° | 173.8° |
| C4 | C3 | C2 | C7 | 0.0° | 5.4° |
| C3 | C4 | C5 | C6 | 1.7° | 0.3° |
| C3 | C4 | C5 | H45 | 178.3° | 179.7° |
| C2 | C3 | C4 | C5 | 0.3° | 3.9° |
| C3 | C2 | N8 | C7 | 179.6° | 179.3° |
| C3 | C2 | C7 | C6 | 1.2° | 3.5° |
| C2 | C3 | C4 | H44 | 179.7° | 176.0° |
| C3 | C2 | C7 | H46 | 178.8° | 176.6° |
| C3 | C2 | N8 | H47 | 109.8° | 139.7° |
| C4 | C5 | C6 | H45 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 2.9° | 1.7° |
| C4 | C5 | C6 | N9 | 175.5° | 178.3° |
| N8 | C2 | C7 | C6 | 179.2° | 175.8° |
| N8 | C2 | C7 | H46 | 0.8° | 4.1° |
| C2 | C7 | C6 | C5 | 2.6° | 0.1° |
| C2 | C7 | C6 | H46 | 180.0° | 180.0° |
| C2 | C7 | C6 | N9 | 175.8° | 179.9° |
| C7 | C2 | N8 | H47 | 70.6° | 41.0° |
| C5 | C6 | C7 | N9 | 178.4° | 180.0° |
| C5 | C6 | N9 | C19 | 8.3° | 35.0° |
| C6 | C5 | C4 | H44 | 178.3° | 179.6° |
| C5 | C6 | C7 | H46 | 177.4° | 179.9° |
| C5 | C6 | N9 | H48 | 171.7° | 144.9° |
| C7 | C6 | N9 | C19 | 173.4° | 144.9° |
| C7 | C6 | C5 | H45 | 177.1° | 178.3° |
| C7 | C6 | N9 | H48 | 6.6° | 35.1° |
| C6 | N9 | C19 | O20 | 6.6° | 4.4° |
| C6 | N9 | C19 | H48 | 180.0° | 180.0° |
| C6 | N9 | C19 | O21 | 175.9° | 175.5° |
| N9 | C6 | C5 | H45 | 4.6° | 1.7° |
| N9 | C6 | C7 | H46 | 4.2° | 0.2° |
| O20 | C19 | N9 | O21 | 177.5° | 179.9° |
| O20 | C19 | O21 | C22 | 2.2° | 0.1° |
| O20 | C19 | N9 | H48 | 173.4° | 175.6° |
| N9 | C19 | O21 | C22 | 179.7° | 180.0° |
| C19 | O21 | C22 | H54 | 180.0° | 180.0° |
| C19 | O21 | C22 | H55 | 60.0° | 59.9° |
| C19 | O21 | C22 | H56 | 60.0° | 60.0° |
| O21 | C19 | N9 | H48 | 4.1° | 4.5° |
| O21 | C22 | H54 | H55 | 120.0° | 120.0° |
| O21 | C22 | H54 | H56 | 120.0° | 120.0° |
| O21 | C22 | H55 | H56 | 120.0° | 120.0° |
| H52 | C15 | C14 | H51 | 0.2° | 0.1° |
| H54 | C22 | H55 | H56 | 120.0° | 120.0° |
| H57 | C23 | C24 | H59 | 63.4° | 139.0° |
| H57 | C23 | C24 | H60 | 54.9° | 101.1° |
| H57 | C23 | C11 | H49 | 174.7° | 141.2° |
| H58 | C23 | C24 | H59 | 55.1° | 101.0° |
| H58 | C23 | C24 | H60 | 173.3° | 18.9° |
| H58 | C23 | C11 | H49 | 56.2° | 98.9° |
| H59 | C24 | C25 | H61 | 158.3° | 122.1° |
| H59 | C24 | C25 | H62 | 39.9° | 117.9° |
| H60 | C24 | C25 | H61 | 83.5° | 2.2° |
| H60 | C24 | C25 | H62 | 158.2° | 122.2° |
| H49 | C11 | N12 | H50 | 148.1° | 145.0° |
| H44 | C4 | C5 | H45 | 1.7° | 0.4° |
| H61 | C25 | C26 | H63 | 63.9° | 108.7° |
| H62 | C25 | C26 | H63 | 54.4° | 131.4° |
| H63 | C26 | C28 | H65 | 63.0° | 60.0° |
| H63 | C26 | C28 | H66 | 57.0° | 60.0° |
| H63 | C26 | C28 | H64 | 177.0° | 180.0° |
| H65 | C28 | H66 | H64 | 120.0° | 120.0° |
| H67 | C31 | C32 | H68 | 0.7° | 0.1° |
| H67 | C31 | C36 | H69 | 1.5° | 0.6° |
