7KR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C18 | sing | 1.53Å | 1.47Å | |
| C20 | C19 | sing | 1.53Å | 1.47Å | |
| O22 | S17 | doub | 1.42Å | 1.44Å | |
| C18 | S17 | sing | 1.81Å | 1.79Å | |
| C18 | C19 | sing | 1.53Å | 1.47Å | |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| S17 | C16 | sing | 1.76Å | 1.77Å | |
| S17 | O21 | doub | 1.42Å | 1.44Å | |
| C12 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | N15 | sing | 1.40Å | 1.41Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C8 | sing | 1.51Å | 1.51Å | |
| N15 | C25 | sing | 1.35Å | 1.35Å | |
| C8 | N9 | sing | 1.48Å | 1.47Å | |
| C25 | C27 | sing | 1.49Å | 1.50Å | |
| C25 | O26 | doub | 1.21Å | 1.23Å | |
| O41 | C40 | doub | 1.22Å | 1.22Å | |
| C27 | C24 | sing | 1.53Å | 1.54Å | |
| C24 | C4 | sing | 1.51Å | 1.51Å | |
| N9 | C40 | sing | 1.36Å | 1.35Å | |
| N9 | C23 | sing | 1.46Å | 1.46Å | |
| C40 | C1 | sing | 1.51Å | 1.53Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| N28 | C1 | sing | 1.47Å | 1.45Å | |
| N28 | C29 | sing | 1.39Å | 1.39Å | |
| C1 | C2 | sing | 1.50Å | 1.52Å | |
| C2 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | doub | 1.40Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.36Å | 1.36Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | C32 | doub | 1.40Å | 1.42Å | Aromatic |
| C34 | C33 | doub | 1.40Å | 1.41Å | Aromatic |
| C32 | C33 | sing | 1.42Å | 1.43Å | Aromatic |
| C32 | C35 | sing | 1.41Å | 1.45Å | Aromatic |
| C33 | C38 | sing | 1.41Å | 1.42Å | Aromatic |
| N39 | C35 | sing | 1.38Å | 1.35Å | |
| C35 | N36 | doub | 1.32Å | 1.38Å | Aromatic |
| C38 | C37 | doub | 1.36Å | 1.36Å | Aromatic |
| N36 | C37 | sing | 1.33Å | 1.34Å | Aromatic |
| C18 | H53 | sing | 1.09Å | 1.10Å | |
| C19 | H54 | sing | 1.09Å | 1.10Å | |
| C19 | H55 | sing | 1.09Å | 1.10Å | |
| C20 | H57 | sing | 1.09Å | 1.10Å | |
| C20 | H56 | sing | 1.09Å | 1.10Å | |
| C23 | H59 | sing | 1.09Å | 1.10Å | |
| C23 | H58 | sing | 1.09Å | 1.10Å | |
| C23 | H60 | sing | 1.09Å | 1.10Å | |
| C24 | H61 | sing | 1.09Å | 1.10Å | |
| C24 | H62 | sing | 1.09Å | 1.10Å | |
| C11 | H49 | sing | 1.08Å | 1.08Å | |
| C12 | H50 | sing | 1.08Å | 1.08Å | |
| C34 | H68 | sing | 1.08Å | 1.08Å | |
| C27 | H63 | sing | 1.10Å | 1.10Å | |
| C27 | H64 | sing | 1.09Å | 1.10Å | |
| C1 | H42 | sing | 1.09Å | 1.10Å | |
| C3 | H43 | sing | 1.08Å | 1.08Å | |
| C5 | H44 | sing | 1.08Å | 1.08Å | |
| C6 | H45 | sing | 1.08Å | 1.08Å | |
| C7 | H46 | sing | 1.08Å | 1.08Å | |
| C8 | H47 | sing | 1.09Å | 1.10Å | |
| C8 | H48 | sing | 1.09Å | 1.10Å | |
| C14 | H51 | sing | 1.08Å | 1.08Å | |
| N15 | H52 | sing | 0.98Å | 1.00Å | |
| N28 | H65 | sing | 0.97Å | 1.00Å | |
| C30 | H66 | sing | 1.08Å | 1.08Å | |
| C31 | H67 | sing | 1.08Å | 1.08Å | |
| C37 | H69 | sing | 1.08Å | 1.08Å | |
| C38 | H70 | sing | 1.08Å | 1.08Å | |
| N39 | H72 | sing | 0.97Å | 1.00Å | |
| N39 | H71 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C20 | C19 | 60.1° | 60.0° |
| C20 | C18 | S17 | 119.2° | 117.5° |
| C20 | C18 | C19 | 59.8° | 60.0° |
| C20 | C18 | H53 | 117.1° | 117.5° |
| C18 | C20 | H57 | 120.0° | 117.5° |
| C18 | C20 | H56 | 120.0° | 117.5° |
| C20 | C19 | C18 | 60.1° | 60.0° |
| C20 | C19 | H54 | 120.0° | 117.6° |
| C20 | C19 | H55 | 120.0° | 117.5° |
| C19 | C20 | H57 | 120.0° | 117.5° |
| C19 | C20 | H56 | 120.0° | 117.5° |
| O22 | S17 | C18 | 107.9° | 110.5° |
| O22 | S17 | C16 | 108.3° | 104.2° |
| O22 | S17 | O21 | 118.4° | 121.0° |
| S17 | C18 | C19 | 122.6° | 117.5° |
| C18 | S17 | C16 | 102.5° | 104.5° |
| C18 | S17 | O21 | 108.4° | 110.6° |
| S17 | C18 | H53 | 111.9° | 115.6° |
| C19 | C18 | H53 | 117.1° | 117.5° |
| C18 | C19 | H54 | 120.0° | 117.5° |
| C18 | C19 | H55 | 120.0° | 117.5° |
| C12 | C11 | C16 | 120.1° | 120.6° |
| C11 | C12 | C13 | 120.1° | 120.0° |
| C12 | C11 | H49 | 119.9° | 120.0° |
| C11 | C12 | H50 | 120.0° | 120.3° |
| C11 | C16 | S17 | 115.4° | 119.7° |
| C11 | C16 | C10 | 121.2° | 119.8° |
| C16 | C11 | H49 | 120.0° | 119.4° |
| C16 | S17 | O21 | 110.2° | 104.3° |
| S17 | C16 | C10 | 123.2° | 120.4° |
| C12 | C13 | N15 | 120.6° | 117.2° |
| C12 | C13 | C14 | 119.6° | 118.7° |
| C13 | C12 | H50 | 120.0° | 119.8° |
| C16 | C10 | C14 | 117.2° | 119.5° |
| C16 | C10 | C8 | 123.6° | 121.2° |
| N15 | C13 | C14 | 119.6° | 124.1° |
| C13 | N15 | C25 | 127.3° | 123.4° |
| C13 | N15 | H52 | 116.3° | 118.4° |
| C13 | C14 | C10 | 121.8° | 121.3° |
| C13 | C14 | H51 | 119.1° | 121.2° |
| C14 | C10 | C8 | 119.1° | 119.2° |
| C10 | C14 | H51 | 119.1° | 117.5° |
| C10 | C8 | N9 | 114.0° | 109.8° |
| C10 | C8 | H47 | 108.3° | 110.4° |
| C10 | C8 | H48 | 108.3° | 109.2° |
| N15 | C25 | C27 | 114.3° | 122.2° |
| N15 | C25 | O26 | 123.8° | 118.6° |
| C25 | N15 | H52 | 116.3° | 118.2° |
| C8 | N9 | C40 | 118.5° | 116.6° |
| C8 | N9 | C23 | 117.1° | 120.6° |
| N9 | C8 | H47 | 108.3° | 109.0° |
| N9 | C8 | H48 | 108.3° | 109.2° |
| C27 | C25 | O26 | 121.6° | 119.2° |
| C25 | C27 | C24 | 109.7° | 113.1° |
| C25 | C27 | H63 | 109.4° | 108.0° |
| C25 | C27 | H64 | 109.4° | 109.5° |
| O41 | C40 | N9 | 120.8° | 119.1° |
| O41 | C40 | C1 | 116.2° | 118.6° |
| C27 | C24 | C4 | 110.6° | 107.1° |
| C27 | C24 | H61 | 109.2° | 110.0° |
| C27 | C24 | H62 | 109.2° | 110.0° |
| C24 | C27 | H63 | 109.4° | 107.9° |
| C24 | C27 | H64 | 109.4° | 108.6° |
| C24 | C4 | C3 | 121.0° | 118.7° |
| C24 | C4 | C5 | 120.4° | 121.4° |
| C4 | C24 | H61 | 109.2° | 109.7° |
| C4 | C24 | H62 | 109.2° | 109.5° |
| C40 | N9 | C23 | 124.2° | 122.9° |
| N9 | C40 | C1 | 123.1° | 122.3° |
| N9 | C23 | H59 | 109.5° | 109.5° |
| N9 | C23 | H58 | 109.4° | 109.5° |
| N9 | C23 | H60 | 109.5° | 109.5° |
| C40 | C1 | N28 | 109.0° | 108.7° |
| C40 | C1 | C2 | 112.7° | 110.0° |
| C40 | C1 | H42 | 106.9° | 111.2° |
| C4 | C3 | C2 | 121.2° | 120.6° |
| C3 | C4 | C5 | 118.6° | 119.9° |
| C4 | C3 | H43 | 119.4° | 120.7° |
| C3 | C2 | C1 | 120.6° | 119.2° |
| C3 | C2 | C7 | 118.9° | 119.5° |
| C2 | C3 | H43 | 119.4° | 118.7° |
| C4 | C5 | C6 | 120.7° | 119.7° |
| C4 | C5 | H44 | 119.6° | 120.3° |
| C1 | N28 | C29 | 123.8° | 120.0° |
| N28 | C1 | C2 | 113.1° | 108.9° |
| N28 | C1 | H42 | 107.9° | 108.3° |
| C1 | N28 | H65 | 105.8° | 120.0° |
| N28 | C29 | C30 | 118.6° | 119.7° |
| N28 | C29 | C34 | 121.6° | 119.7° |
| C29 | N28 | H65 | 105.8° | 120.0° |
| C1 | C2 | C7 | 120.5° | 121.3° |
| C2 | C1 | H42 | 107.0° | 109.8° |
| C2 | C7 | C6 | 120.5° | 120.0° |
| C2 | C7 | H46 | 119.8° | 120.5° |
| C29 | C30 | C31 | 121.1° | 121.0° |
| C30 | C29 | C34 | 119.8° | 120.6° |
| C29 | C30 | H66 | 119.4° | 119.5° |
| C30 | C31 | C32 | 121.0° | 119.8° |
| C31 | C30 | H66 | 119.5° | 119.5° |
| C30 | C31 | H67 | 119.5° | 120.1° |
| C5 | C6 | C7 | 120.1° | 120.3° |
| C6 | C5 | H44 | 119.6° | 120.0° |
| C5 | C6 | H45 | 120.0° | 119.7° |
| C29 | C34 | C33 | 120.7° | 119.3° |
| C29 | C34 | H68 | 119.6° | 120.4° |
| C7 | C6 | H45 | 119.9° | 120.0° |
| C6 | C7 | H46 | 119.8° | 119.5° |
| C31 | C32 | C33 | 118.0° | 119.6° |
| C31 | C32 | C35 | 124.9° | 121.9° |
| C32 | C31 | H67 | 119.5° | 120.1° |
| C34 | C33 | C32 | 119.3° | 119.7° |
| C34 | C33 | C38 | 121.7° | 122.1° |
| C33 | C34 | H68 | 119.6° | 120.3° |
| C33 | C32 | C35 | 117.1° | 118.5° |
| C32 | C33 | C38 | 119.0° | 118.2° |
| C32 | C35 | N39 | 121.8° | 120.1° |
| C32 | C35 | N36 | 121.2° | 119.8° |
| C33 | C38 | C37 | 119.7° | 118.9° |
| C33 | C38 | H70 | 120.1° | 120.6° |
| N39 | C35 | N36 | 116.9° | 120.1° |
| C35 | N39 | H72 | 109.5° | 120.0° |
| C35 | N39 | H71 | 109.5° | 120.0° |
| C35 | N36 | C37 | 118.8° | 122.6° |
| C38 | C37 | N36 | 124.1° | 121.9° |
| C38 | C37 | H69 | 118.0° | 119.0° |
| C37 | C38 | H70 | 120.1° | 120.5° |
| N36 | C37 | H69 | 117.9° | 119.0° |
| H54 | C19 | H55 | 109.5° | 115.5° |
| H57 | C20 | H56 | 109.5° | 115.6° |
| H59 | C23 | H58 | 109.4° | 109.4° |
| H59 | C23 | H60 | 109.5° | 109.5° |
| H58 | C23 | H60 | 109.5° | 109.5° |
| H61 | C24 | H62 | 109.5° | 110.4° |
| H63 | C27 | H64 | 109.4° | 109.7° |
| H47 | C8 | H48 | 109.5° | 109.2° |
| H72 | N39 | H71 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C20 | C19 | H57 | 109.5° | 107.5° |
| C18 | C20 | C19 | H56 | 109.5° | 107.6° |
| C20 | C18 | S17 | O22 | 49.0° | 1.7° |
| C20 | C18 | S17 | C19 | 70.9° | 68.6° |
| C20 | C18 | S17 | H53 | 141.9° | 145.7° |
| C20 | C18 | C19 | H53 | 107.1° | 107.5° |
| C20 | C18 | S17 | C16 | 163.2° | 109.9° |
| C20 | C18 | S17 | O21 | 80.3° | 138.5° |
| C18 | C20 | C19 | H54 | 109.5° | 107.5° |
| C18 | C20 | C19 | H55 | 109.5° | 107.5° |
| C18 | C20 | H57 | H56 | 144.7° | 145.8° |
| C20 | C19 | H54 | H55 | 144.7° | 145.8° |
| C19 | C20 | H57 | H56 | 144.7° | 145.6° |
| O22 | S17 | C18 | C16 | 114.2° | 111.6° |
| O22 | S17 | C18 | O21 | 129.3° | 136.8° |
| O22 | S17 | C18 | C19 | 119.9° | 66.9° |
| O22 | S17 | C16 | C11 | 24.0° | 0.6° |
| O22 | S17 | C16 | O21 | 130.9° | 127.8° |
| O22 | S17 | C16 | C10 | 162.0° | 179.8° |
| O22 | S17 | C18 | H53 | 92.9° | 147.4° |
| S17 | C18 | C19 | H53 | 145.6° | 145.0° |
| C18 | S17 | C16 | C11 | 89.8° | 115.4° |
| C18 | S17 | C16 | O21 | 115.3° | 116.1° |
| C18 | S17 | C16 | C10 | 84.1° | 64.1° |
| S17 | C18 | C19 | H54 | 143.2° | 0.1° |
| S17 | C18 | C19 | H55 | 2.2° | 145.0° |
| S17 | C18 | C20 | H57 | 137.6° | 145.1° |
| S17 | C18 | C20 | H56 | 3.4° | 0.0° |
| C19 | C18 | S17 | C16 | 125.9° | 178.5° |
| C19 | C18 | S17 | O21 | 9.4° | 69.9° |
| C18 | C19 | H54 | H55 | 144.7° | 145.6° |
| C12 | C11 | C16 | H49 | 180.0° | 179.6° |
| C12 | C11 | C16 | S17 | 172.9° | 178.9° |
| C11 | C12 | C13 | H50 | 180.0° | 179.4° |
| C12 | C11 | C16 | C10 | 1.2° | 1.5° |
| C11 | C12 | C13 | N15 | 175.2° | 178.3° |
| C11 | C12 | C13 | C14 | 0.6° | 1.8° |
| C11 | C16 | S17 | C10 | 173.9° | 179.6° |
| C11 | C16 | S17 | O21 | 154.9° | 128.5° |
| C16 | C11 | C12 | C13 | 0.6° | 0.6° |
| C11 | C16 | C10 | C14 | 0.5° | 0.1° |
| C11 | C16 | C10 | C8 | 178.4° | 179.4° |
| C16 | C11 | C12 | H50 | 179.4° | 180.0° |
| S17 | C16 | C10 | C14 | 173.1° | 179.4° |
| S17 | C16 | C10 | C8 | 8.0° | 1.0° |
| C16 | S17 | C18 | H53 | 21.3° | 35.8° |
| S17 | C16 | C11 | H49 | 7.2° | 1.4° |
| O21 | S17 | C16 | C10 | 31.2° | 52.0° |
| O21 | S17 | C18 | H53 | 137.8° | 75.8° |
| C12 | C13 | N15 | C14 | 175.8° | 179.8° |
| C12 | C13 | C14 | C10 | 1.2° | 3.5° |
| C12 | C13 | N15 | C25 | 153.3° | 162.0° |
| C13 | C12 | C11 | H49 | 179.4° | 179.0° |
| C12 | C13 | C14 | H51 | 178.7° | 173.7° |
| C12 | C13 | N15 | H52 | 26.7° | 17.9° |
| C16 | C10 | C14 | C13 | 0.7° | 2.7° |
| C16 | C10 | C14 | C8 | 179.0° | 179.5° |
| C16 | C10 | C8 | N9 | 164.8° | 116.8° |
| C10 | C16 | C11 | H49 | 178.8° | 178.1° |
| C16 | C10 | C8 | H47 | 44.1° | 3.5° |
| C16 | C10 | C8 | H48 | 74.5° | 123.6° |
| C16 | C10 | C14 | H51 | 179.3° | 174.7° |
| N15 | C13 | C14 | C10 | 174.6° | 176.7° |
| C13 | N15 | C25 | H52 | 180.0° | 179.9° |
| C13 | N15 | C25 | C27 | 152.9° | 2.2° |
| C13 | N15 | C25 | O26 | 20.4° | 178.0° |
| N15 | C13 | C12 | H50 | 4.8° | 2.3° |
| N15 | C13 | C14 | H51 | 5.5° | 6.1° |
| C13 | C14 | C10 | H51 | 180.0° | 177.3° |
| C13 | C14 | C10 | C8 | 179.6° | 176.9° |
| C14 | C13 | N15 | C25 | 31.0° | 18.2° |
| C14 | C13 | C12 | H50 | 179.4° | 177.6° |
| C14 | C13 | N15 | H52 | 149.0° | 162.0° |
| C14 | C10 | C8 | N9 | 16.3° | 62.8° |
| C14 | C10 | C8 | H47 | 137.0° | 177.0° |
| C14 | C10 | C8 | H48 | 104.4° | 56.9° |
| C10 | C8 | N9 | H47 | 120.7° | 121.1° |
| C10 | C8 | N9 | H48 | 120.7° | 119.6° |
| C10 | C8 | N9 | C40 | 74.5° | 130.3° |
| C10 | C8 | N9 | C23 | 101.7° | 50.1° |
| C10 | C8 | H47 | H48 | 117.9° | 120.1° |
| C8 | C10 | C14 | H51 | 0.4° | 5.8° |
| N15 | C25 | C27 | O26 | 173.5° | 179.8° |
| N15 | C25 | C27 | C24 | 75.7° | 158.2° |
| N15 | C25 | C27 | H63 | 164.3° | 38.8° |
| N15 | C25 | C27 | H64 | 44.4° | 80.7° |
| C8 | N9 | C40 | O41 | 4.6° | 1.1° |
| C8 | N9 | C40 | C23 | 175.9° | 179.7° |
| C8 | N9 | C40 | C1 | 175.5° | 178.7° |
| C8 | N9 | C23 | H59 | 180.0° | 94.6° |
| C8 | N9 | C23 | H58 | 60.0° | 145.4° |
| C8 | N9 | C23 | H60 | 60.0° | 25.4° |
| N9 | C8 | H47 | H48 | 117.9° | 119.2° |
| C25 | C27 | C24 | H63 | 120.0° | 119.4° |
| C25 | C27 | C24 | H64 | 120.1° | 121.7° |
| C25 | C27 | C24 | C4 | 57.8° | 170.7° |
| C25 | C27 | C24 | H61 | 178.0° | 51.5° |
| C25 | C27 | C24 | H62 | 62.4° | 70.4° |
| C25 | C27 | H63 | H64 | 119.9° | 119.3° |
| C27 | C25 | N15 | H52 | 27.1° | 177.7° |
| O26 | C25 | C27 | C24 | 97.8° | 21.7° |
| O26 | C25 | C27 | H63 | 22.3° | 141.0° |
| O26 | C25 | C27 | H64 | 142.1° | 99.5° |
| O26 | C25 | N15 | H52 | 159.6° | 2.1° |
| O41 | C40 | N9 | C1 | 179.9° | 179.8° |
| O41 | C40 | N9 | C23 | 179.6° | 179.2° |
| O41 | C40 | C1 | N28 | 17.9° | 33.5° |
| O41 | C40 | C1 | C2 | 108.5° | 85.5° |
| O41 | C40 | C1 | H42 | 134.2° | 152.7° |
| C27 | C24 | C4 | H61 | 120.2° | 119.4° |
| C27 | C24 | C4 | H62 | 120.2° | 119.3° |
| C27 | C24 | C4 | C3 | 113.2° | 5.1° |
| C27 | C24 | C4 | C5 | 64.9° | 174.5° |
| C27 | C24 | H61 | H62 | 119.5° | 121.7° |
| C24 | C27 | H63 | H64 | 119.9° | 118.1° |
| C24 | C4 | C3 | C5 | 178.1° | 179.6° |
| C24 | C4 | C3 | C2 | 177.2° | 178.5° |
| C24 | C4 | C5 | C6 | 177.1° | 179.5° |
| C4 | C24 | H61 | H62 | 119.5° | 120.8° |
| C4 | C24 | C27 | H63 | 62.2° | 51.2° |
| C4 | C24 | C27 | H64 | 177.9° | 67.6° |
| C24 | C4 | C3 | H43 | 2.8° | 2.5° |
| C24 | C4 | C5 | H44 | 2.9° | 0.8° |
| N9 | C40 | C1 | N28 | 162.0° | 146.3° |
| N9 | C40 | C1 | C2 | 71.6° | 94.6° |
| C40 | N9 | C23 | H59 | 4.1° | 85.7° |
| C40 | N9 | C23 | H58 | 124.1° | 34.2° |
| C40 | N9 | C23 | H60 | 115.9° | 154.2° |
| N9 | C40 | C1 | H42 | 45.7° | 27.1° |
| C40 | N9 | C8 | H47 | 46.2° | 108.6° |
| C40 | N9 | C8 | H48 | 164.9° | 10.6° |
| C23 | N9 | C40 | C1 | 0.3° | 1.0° |
| N9 | C23 | H59 | H58 | 120.0° | 120.0° |
| N9 | C23 | H59 | H60 | 120.0° | 120.0° |
| N9 | C23 | H58 | H60 | 120.0° | 120.0° |
| C23 | N9 | C8 | H47 | 137.6° | 71.0° |
| C23 | N9 | C8 | H48 | 19.0° | 169.7° |
| C40 | C1 | C2 | C3 | 49.6° | 20.1° |
| C40 | C1 | N28 | C2 | 126.2° | 119.8° |
| C40 | C1 | N28 | H42 | 115.7° | 120.9° |
| C40 | C1 | N28 | C29 | 157.5° | 85.2° |
| C40 | C1 | C2 | H42 | 117.2° | 122.6° |
| C40 | C1 | C2 | C7 | 128.5° | 160.0° |
| C40 | C1 | N28 | H65 | 80.6° | 94.8° |
| C4 | C3 | C2 | H43 | 180.0° | 179.0° |
| C4 | C3 | C2 | C1 | 178.1° | 178.3° |
| C4 | C3 | C2 | C7 | 0.0° | 1.6° |
| C3 | C4 | C5 | C6 | 1.0° | 0.9° |
| C3 | C4 | C24 | H61 | 126.7° | 114.3° |
| C3 | C4 | C24 | H62 | 7.0° | 124.4° |
| C3 | C4 | C5 | H44 | 179.0° | 178.8° |
| C2 | C3 | C4 | C5 | 0.9° | 1.9° |
| C3 | C2 | C1 | N28 | 74.6° | 139.1° |
| C3 | C2 | C1 | C7 | 178.1° | 179.9° |
| C3 | C2 | C7 | C6 | 0.7° | 0.3° |
| C3 | C2 | C1 | H42 | 166.8° | 102.5° |
| C3 | C2 | C7 | H46 | 179.3° | 180.0° |
| C4 | C5 | C6 | H44 | 180.0° | 179.7° |
| C4 | C5 | C6 | C7 | 0.3° | 0.3° |
| C5 | C4 | C24 | H61 | 55.3° | 66.1° |
| C5 | C4 | C24 | H62 | 175.0° | 55.2° |
| C5 | C4 | C3 | H43 | 179.1° | 177.1° |
| C4 | C5 | C6 | H45 | 179.7° | 179.6° |
| C1 | N28 | C29 | H65 | 122.0° | 180.0° |
| N28 | C1 | C2 | H42 | 118.6° | 118.4° |
| N28 | C1 | C2 | C7 | 107.3° | 41.0° |
| C1 | N28 | C29 | C30 | 168.0° | 0.1° |
| C1 | N28 | C29 | C34 | 10.9° | 180.0° |
| C29 | N28 | C1 | C2 | 76.4° | 155.0° |
| N28 | C29 | C30 | C34 | 178.9° | 179.9° |
| N28 | C29 | C30 | C31 | 177.2° | 180.0° |
| N28 | C29 | C34 | C33 | 178.7° | 180.0° |
| N28 | C29 | C34 | H68 | 1.3° | 0.4° |
| C29 | N28 | C1 | H42 | 41.8° | 35.7° |
| N28 | C29 | C30 | H66 | 2.8° | 0.1° |
| C1 | C2 | C7 | C6 | 178.8° | 179.6° |
| C1 | C2 | C3 | H43 | 1.9° | 2.7° |
| C1 | C2 | C7 | H46 | 1.2° | 0.1° |
| C2 | C1 | N28 | H65 | 45.6° | 25.0° |
| C2 | C7 | C6 | C5 | 0.5° | 0.7° |
| C2 | C7 | C6 | H46 | 180.0° | 179.7° |
| C7 | C2 | C1 | H42 | 11.3° | 77.4° |
| C7 | C2 | C3 | H43 | 180.0° | 177.4° |
| C2 | C7 | C6 | H45 | 179.5° | 179.3° |
| C29 | C30 | C31 | H66 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 1.9° | 0.3° |
| C30 | C29 | C34 | C33 | 0.2° | 0.2° |
| C30 | C29 | C34 | H68 | 179.8° | 179.8° |
| C30 | C29 | N28 | H65 | 46.0° | 179.9° |
| C29 | C30 | C31 | H67 | 178.1° | 180.0° |
| C31 | C30 | C29 | C34 | 1.7° | 0.1° |
| C30 | C31 | C32 | H67 | 180.0° | 179.8° |
| C30 | C31 | C32 | C33 | 0.6° | 0.5° |
| C30 | C31 | C32 | C35 | 177.4° | 180.0° |
| C5 | C6 | C7 | H45 | 180.0° | 179.9° |
| C5 | C6 | C7 | H46 | 179.4° | 179.1° |
| C29 | C34 | C33 | H68 | 180.0° | 179.6° |
| C29 | C34 | C33 | C32 | 1.1° | 0.4° |
| C29 | C34 | C33 | C38 | 178.2° | 179.7° |
| C34 | C29 | N28 | H65 | 132.9° | 0.1° |
| C34 | C29 | C30 | H66 | 178.3° | 180.0° |
| C7 | C6 | C5 | H44 | 179.7° | 179.9° |
| C31 | C32 | C33 | C34 | 0.9° | 0.6° |
| C31 | C32 | C33 | C35 | 178.2° | 179.5° |
| C31 | C32 | C33 | C38 | 178.4° | 179.5° |
| C31 | C32 | C35 | N39 | 5.9° | 0.1° |
| C31 | C32 | C35 | N36 | 176.6° | 180.0° |
| C32 | C31 | C30 | H66 | 178.1° | 179.8° |
| C34 | C33 | C32 | C38 | 179.3° | 179.9° |
| C34 | C33 | C32 | C35 | 179.1° | 179.9° |
| C34 | C33 | C38 | C37 | 177.5° | 179.0° |
| C34 | C33 | C38 | H70 | 2.5° | 0.1° |
| C33 | C32 | C35 | N39 | 176.1° | 179.4° |
| C33 | C32 | C35 | N36 | 1.5° | 0.5° |
| C32 | C33 | C38 | C37 | 1.8° | 0.9° |
| C32 | C33 | C34 | H68 | 178.9° | 180.0° |
| C33 | C32 | C31 | H67 | 179.4° | 179.7° |
| C32 | C33 | C38 | H70 | 178.2° | 180.0° |
| C35 | C32 | C33 | C38 | 0.2° | 0.0° |
| C32 | C35 | N39 | N36 | 177.7° | 179.9° |
| C32 | C35 | N36 | C37 | 1.5° | 0.0° |
| C35 | C32 | C31 | H67 | 2.6° | 0.3° |
| C32 | C35 | N39 | H72 | 177.7° | 0.0° |
| C32 | C35 | N39 | H71 | 57.7° | 180.0° |
| C33 | C38 | C37 | H70 | 180.0° | 179.0° |
| C33 | C38 | C37 | N36 | 1.9° | 1.5° |
| C38 | C33 | C34 | H68 | 1.9° | 0.1° |
| C33 | C38 | C37 | H69 | 178.1° | 179.6° |
| N39 | C35 | N36 | C37 | 176.1° | 180.0° |
| C35 | N39 | H72 | H71 | 120.0° | 180.0° |
| C35 | N36 | C37 | C38 | 0.2° | 1.1° |
| C35 | N36 | C37 | H69 | 179.8° | 180.0° |
| N36 | C35 | N39 | H72 | 0.0° | 180.0° |
| N36 | C35 | N39 | H71 | 120.0° | 0.1° |
| C38 | C37 | N36 | H69 | 180.0° | 178.9° |
| N36 | C37 | C38 | H70 | 178.1° | 179.5° |
| H53 | C18 | C19 | H54 | 2.4° | 144.9° |
| H53 | C18 | C19 | H55 | 143.4° | 0.0° |
| H53 | C18 | C20 | H57 | 2.4° | 0.0° |
| H53 | C18 | C20 | H56 | 143.4° | 145.1° |
| H54 | C19 | C20 | H57 | 0.0° | 145.0° |
| H54 | C19 | C20 | H56 | 141.0° | 0.1° |
| H55 | C19 | C20 | H57 | 141.0° | 0.1° |
| H55 | C19 | C20 | H56 | 0.0° | 145.0° |
| H59 | C23 | H58 | H60 | 120.0° | 120.0° |
| H61 | C24 | C27 | H63 | 57.9° | 67.9° |
| H61 | C24 | C27 | H64 | 62.0° | 173.2° |
| H62 | C24 | C27 | H63 | 177.6° | 170.2° |
| H62 | C24 | C27 | H64 | 57.7° | 51.3° |
| H49 | C11 | C12 | H50 | 0.7° | 0.4° |
| H42 | C1 | N28 | H65 | 163.7° | 144.3° |
| H44 | C5 | C6 | H45 | 0.3° | 0.1° |
| H45 | C6 | C7 | H46 | 0.6° | 1.0° |
| H66 | C30 | C31 | H67 | 1.9° | 0.0° |
| H69 | C37 | C38 | H70 | 1.9° | 0.5° |
