RYW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O35 | C36 | sing | 1.43Å | 1.43Å | |
| O35 | C34 | sing | 1.43Å | 1.43Å | |
| C36 | C37 | sing | 1.53Å | 1.51Å | |
| C37 | C32 | sing | 1.53Å | 1.52Å | |
| C34 | C33 | sing | 1.53Å | 1.51Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | N31 | sing | 1.46Å | 1.46Å | |
| N31 | C30 | sing | 1.38Å | 1.35Å | |
| C30 | N29 | doub | 1.32Å | 1.35Å | Aromatic |
| C30 | N38 | sing | 1.32Å | 1.34Å | Aromatic |
| N29 | C28 | sing | 1.33Å | 1.35Å | Aromatic |
| N38 | C39 | doub | 1.32Å | 1.34Å | Aromatic |
| C28 | C23 | sing | 1.48Å | 1.49Å | |
| C28 | C40 | doub | 1.40Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C39 | C40 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.48Å | 1.48Å | |
| C25 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | O27 | doub | 1.22Å | 1.22Å | |
| C26 | N18 | sing | 1.34Å | 1.37Å | |
| C40 | CL1 | sing | 1.74Å | 1.73Å | |
| N18 | C16 | sing | 1.46Å | 1.46Å | |
| N18 | C19 | sing | 1.47Å | 1.47Å | |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.50Å | |
| C16 | C14 | sing | 1.51Å | 1.54Å | |
| C14 | N13 | sing | 1.35Å | 1.33Å | |
| C14 | O15 | doub | 1.21Å | 1.24Å | |
| N13 | C10 | sing | 1.46Å | 1.46Å | |
| O12 | C11 | sing | 1.43Å | 1.42Å | |
| O2 | C1 | sing | 1.43Å | 1.43Å | |
| O2 | C3 | sing | 1.36Å | 1.37Å | |
| C9 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C8 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | F6 | sing | 1.35Å | 1.37Å | |
| C1 | H46 | sing | 1.09Å | 1.10Å | |
| C1 | H45 | sing | 1.09Å | 1.10Å | |
| C1 | H44 | sing | 1.09Å | 1.10Å | |
| C7 | H48 | sing | 1.08Å | 1.08Å | |
| C10 | H42 | sing | 1.09Å | 1.10Å | |
| C11 | H50 | sing | 1.09Å | 1.10Å | |
| C11 | H51 | sing | 1.09Å | 1.10Å | |
| C16 | H43 | sing | 1.09Å | 1.10Å | |
| C19 | H58 | sing | 1.09Å | 1.10Å | |
| C19 | H57 | sing | 1.09Å | 1.10Å | |
| C21 | H59 | sing | 1.08Å | 1.08Å | |
| C22 | H60 | sing | 1.08Å | 1.08Å | |
| C24 | H61 | sing | 1.08Å | 1.08Å | |
| C36 | H69 | sing | 1.09Å | 1.10Å | |
| C36 | H68 | sing | 1.09Å | 1.10Å | |
| C37 | H70 | sing | 1.09Å | 1.10Å | |
| C37 | H71 | sing | 1.09Å | 1.10Å | |
| C39 | H72 | sing | 1.08Å | 1.08Å | |
| C4 | H47 | sing | 1.08Å | 1.08Å | |
| C9 | H49 | sing | 1.08Å | 1.08Å | |
| O12 | H52 | sing | 0.97Å | 0.95Å | |
| N13 | H53 | sing | 0.97Å | 1.00Å | |
| C17 | H55 | sing | 1.09Å | 1.10Å | |
| C17 | H54 | sing | 1.09Å | 1.10Å | |
| C17 | H56 | sing | 1.09Å | 1.10Å | |
| N31 | H62 | sing | 0.97Å | 1.00Å | |
| C32 | H63 | sing | 1.09Å | 1.10Å | |
| C33 | H64 | sing | 1.09Å | 1.10Å | |
| C33 | H65 | sing | 1.09Å | 1.10Å | |
| C34 | H66 | sing | 1.09Å | 1.10Å | |
| C34 | H67 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | O35 | C34 | 109.6° | 114.1° |
| O35 | C36 | C37 | 111.3° | 109.4° |
| O35 | C36 | H69 | 109.0° | 109.5° |
| O35 | C36 | H68 | 109.0° | 109.5° |
| O35 | C34 | C33 | 111.7° | 109.4° |
| O35 | C34 | H66 | 108.9° | 109.5° |
| O35 | C34 | H67 | 108.9° | 109.5° |
| C36 | C37 | C32 | 111.5° | 109.2° |
| C37 | C36 | H69 | 109.0° | 109.4° |
| C37 | C36 | H68 | 109.0° | 109.5° |
| C36 | C37 | H70 | 109.0° | 109.6° |
| C36 | C37 | H71 | 109.0° | 109.6° |
| C37 | C32 | C33 | 110.4° | 109.0° |
| C37 | C32 | N31 | 109.9° | 109.6° |
| C32 | C37 | H70 | 109.0° | 109.5° |
| C32 | C37 | H71 | 108.9° | 109.5° |
| C37 | C32 | H63 | 108.3° | 109.5° |
| C34 | C33 | C32 | 109.9° | 109.2° |
| C34 | C33 | H64 | 109.3° | 109.5° |
| C34 | C33 | H65 | 109.3° | 109.5° |
| C33 | C34 | H66 | 108.9° | 109.5° |
| C33 | C34 | H67 | 108.9° | 109.5° |
| C33 | C32 | N31 | 110.9° | 109.6° |
| C33 | C32 | H63 | 108.2° | 109.6° |
| C32 | C33 | H64 | 109.4° | 109.5° |
| C32 | C33 | H65 | 109.4° | 109.6° |
| C32 | N31 | C30 | 125.2° | 120.0° |
| C32 | N31 | H62 | 105.4° | 120.0° |
| N31 | C32 | H63 | 109.0° | 109.6° |
| N31 | C30 | N29 | 116.8° | 119.1° |
| N31 | C30 | N38 | 116.7° | 119.2° |
| C30 | N31 | H62 | 105.4° | 120.0° |
| N29 | C30 | N38 | 126.4° | 121.7° |
| C30 | N29 | C28 | 116.9° | 120.6° |
| C30 | N38 | C39 | 115.5° | 121.0° |
| N29 | C28 | C23 | 114.2° | 120.5° |
| N29 | C28 | C40 | 121.0° | 119.0° |
| N38 | C39 | C40 | 122.8° | 119.2° |
| N38 | C39 | H72 | 118.6° | 120.4° |
| C23 | C28 | C40 | 124.7° | 120.5° |
| C28 | C23 | C24 | 123.1° | 119.9° |
| C28 | C23 | C22 | 118.5° | 120.0° |
| C28 | C40 | C39 | 117.3° | 118.4° |
| C28 | C40 | CL1 | 123.3° | 120.8° |
| C23 | C24 | C25 | 119.7° | 119.7° |
| C24 | C23 | C22 | 118.4° | 120.1° |
| C23 | C24 | H61 | 120.1° | 120.2° |
| C24 | C25 | C26 | 130.9° | 132.2° |
| C24 | C25 | C20 | 120.6° | 119.5° |
| C25 | C24 | H61 | 120.1° | 120.1° |
| C23 | C22 | C21 | 121.5° | 120.1° |
| C23 | C22 | H60 | 119.3° | 120.0° |
| C39 | C40 | CL1 | 119.4° | 120.8° |
| C40 | C39 | H72 | 118.6° | 120.4° |
| C17 | C16 | N18 | 112.3° | 109.4° |
| C17 | C16 | C14 | 111.3° | 109.5° |
| C17 | C16 | H43 | 107.1° | 109.5° |
| C16 | C17 | H55 | 109.5° | 109.5° |
| C16 | C17 | H54 | 109.5° | 109.5° |
| C16 | C17 | H56 | 109.5° | 109.5° |
| C26 | C25 | C20 | 108.4° | 108.3° |
| C25 | C26 | O27 | 129.0° | 124.8° |
| C25 | C26 | N18 | 105.8° | 110.3° |
| C25 | C20 | C21 | 119.7° | 120.6° |
| C25 | C20 | C19 | 109.5° | 106.4° |
| C22 | C21 | C20 | 120.0° | 120.1° |
| C22 | C21 | H59 | 120.0° | 119.9° |
| C21 | C22 | H60 | 119.3° | 119.9° |
| O27 | C26 | N18 | 125.1° | 124.9° |
| C26 | N18 | C16 | 122.1° | 125.7° |
| C26 | N18 | C19 | 112.9° | 108.8° |
| C16 | N18 | C19 | 123.0° | 125.6° |
| N18 | C16 | C14 | 111.1° | 109.5° |
| N18 | C16 | H43 | 107.8° | 109.5° |
| N18 | C19 | C20 | 101.9° | 106.3° |
| N18 | C19 | H58 | 111.3° | 110.1° |
| N18 | C19 | H57 | 111.3° | 110.1° |
| C21 | C20 | C19 | 130.7° | 133.0° |
| C20 | C21 | H59 | 120.0° | 120.0° |
| C20 | C19 | H58 | 111.3° | 110.1° |
| C20 | C19 | H57 | 111.3° | 110.1° |
| C16 | C14 | N13 | 115.1° | 120.0° |
| C16 | C14 | O15 | 122.1° | 120.0° |
| C14 | C16 | H43 | 106.9° | 109.5° |
| N13 | C14 | O15 | 122.9° | 120.0° |
| C14 | N13 | C10 | 123.6° | 120.0° |
| C14 | N13 | H53 | 118.2° | 120.0° |
| N13 | C10 | C11 | 107.7° | 109.5° |
| N13 | C10 | C8 | 112.5° | 109.5° |
| N13 | C10 | H42 | 109.5° | 109.5° |
| C10 | N13 | H53 | 118.2° | 120.0° |
| O12 | C11 | C10 | 109.0° | 109.5° |
| O12 | C11 | H50 | 109.6° | 109.5° |
| O12 | C11 | H51 | 109.6° | 109.5° |
| C11 | O12 | H52 | 109.5° | 113.9° |
| C1 | O2 | C3 | 118.0° | 117.0° |
| O2 | C1 | H46 | 109.5° | 109.5° |
| O2 | C1 | H45 | 109.5° | 109.5° |
| O2 | C1 | H44 | 109.5° | 109.4° |
| O2 | C3 | C9 | 111.7° | 120.1° |
| O2 | C3 | C4 | 127.1° | 120.0° |
| C3 | C9 | C8 | 120.4° | 120.0° |
| C9 | C3 | C4 | 121.2° | 119.9° |
| C3 | C9 | H49 | 119.8° | 120.0° |
| C9 | C8 | C10 | 120.7° | 120.0° |
| C9 | C8 | C7 | 118.9° | 120.0° |
| C8 | C9 | H49 | 119.8° | 120.0° |
| C11 | C10 | C8 | 109.7° | 109.5° |
| C11 | C10 | H42 | 108.7° | 109.4° |
| C10 | C11 | H50 | 109.6° | 109.5° |
| C10 | C11 | H51 | 109.6° | 109.5° |
| C10 | C8 | C7 | 120.4° | 120.0° |
| C8 | C10 | H42 | 108.7° | 109.5° |
| C3 | C4 | C5 | 117.1° | 119.9° |
| C3 | C4 | H47 | 121.5° | 120.0° |
| C8 | C7 | C5 | 118.9° | 120.1° |
| C8 | C7 | H48 | 120.6° | 120.0° |
| C4 | C5 | C7 | 123.6° | 120.0° |
| C4 | C5 | F6 | 118.2° | 120.0° |
| C5 | C4 | H47 | 121.5° | 120.1° |
| C7 | C5 | F6 | 118.2° | 120.0° |
| C5 | C7 | H48 | 120.5° | 119.9° |
| H46 | C1 | H45 | 109.4° | 109.5° |
| H46 | C1 | H44 | 109.5° | 109.5° |
| H45 | C1 | H44 | 109.5° | 109.5° |
| H50 | C11 | H51 | 109.4° | 109.4° |
| H58 | C19 | H57 | 109.5° | 110.1° |
| H69 | C36 | H68 | 109.5° | 109.5° |
| H70 | C37 | H71 | 109.5° | 109.6° |
| H55 | C17 | H54 | 109.4° | 109.5° |
| H55 | C17 | H56 | 109.5° | 109.5° |
| H54 | C17 | H56 | 109.5° | 109.5° |
| H64 | C33 | H65 | 109.5° | 109.5° |
| H66 | C34 | H67 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O35 | C36 | C37 | H69 | 120.3° | 120.0° |
| O35 | C36 | C37 | H68 | 120.3° | 120.0° |
| O35 | C36 | C37 | C32 | 55.5° | 57.6° |
| C36 | O35 | C34 | C33 | 63.6° | 61.1° |
| O35 | C36 | H69 | H68 | 119.2° | 120.0° |
| O35 | C36 | C37 | H70 | 175.9° | 177.5° |
| O35 | C36 | C37 | H71 | 64.7° | 62.2° |
| C36 | O35 | C34 | H66 | 176.1° | 58.8° |
| C36 | O35 | C34 | H67 | 56.8° | 178.8° |
| C34 | O35 | C36 | C37 | 61.7° | 61.2° |
| O35 | C34 | C33 | H66 | 120.3° | 120.0° |
| O35 | C34 | C33 | H67 | 120.4° | 120.1° |
| O35 | C34 | C33 | C32 | 58.0° | 57.6° |
| C34 | O35 | C36 | H69 | 58.5° | 178.9° |
| C34 | O35 | C36 | H68 | 178.0° | 58.9° |
| O35 | C34 | C33 | H64 | 62.1° | 177.5° |
| O35 | C34 | C33 | H65 | 178.0° | 62.4° |
| O35 | C34 | H66 | H67 | 119.0° | 120.1° |
| C36 | C37 | C32 | H70 | 120.3° | 119.9° |
| C36 | C37 | C32 | H71 | 120.3° | 119.9° |
| C36 | C37 | C32 | C33 | 49.6° | 57.0° |
| C36 | C37 | C32 | N31 | 172.3° | 176.9° |
| C37 | C36 | H69 | H68 | 119.2° | 120.0° |
| C36 | C37 | H70 | H71 | 119.1° | 120.2° |
| C36 | C37 | C32 | H63 | 68.7° | 63.0° |
| C37 | C32 | C33 | C34 | 50.3° | 56.9° |
| C37 | C32 | C33 | N31 | 122.0° | 119.9° |
| C37 | C32 | C33 | H63 | 118.4° | 119.8° |
| C37 | C32 | N31 | H63 | 118.5° | 120.1° |
| C37 | C32 | N31 | C30 | 77.6° | 155.0° |
| C32 | C37 | C36 | H69 | 64.7° | 177.6° |
| C32 | C37 | C36 | H68 | 175.8° | 62.4° |
| C32 | C37 | H70 | H71 | 119.1° | 120.1° |
| C37 | C32 | N31 | H62 | 44.6° | 25.0° |
| C37 | C32 | C33 | H64 | 69.8° | 176.9° |
| C37 | C32 | C33 | H65 | 170.3° | 63.0° |
| C34 | C33 | C32 | H64 | 120.1° | 119.9° |
| C34 | C33 | C32 | H65 | 120.1° | 120.0° |
| C34 | C33 | C32 | N31 | 172.3° | 176.8° |
| C34 | C33 | C32 | H63 | 68.1° | 62.9° |
| C34 | C33 | H64 | H65 | 119.8° | 120.1° |
| C33 | C34 | H66 | H67 | 119.0° | 120.0° |
| C33 | C32 | N31 | H63 | 119.1° | 120.3° |
| C33 | C32 | N31 | C30 | 160.1° | 85.4° |
| C33 | C32 | C37 | H70 | 169.9° | 176.9° |
| C33 | C32 | C37 | H71 | 70.7° | 63.0° |
| C33 | C32 | N31 | H62 | 77.8° | 94.5° |
| C32 | C33 | H64 | H65 | 119.8° | 120.1° |
| C32 | C33 | C34 | H66 | 178.3° | 62.4° |
| C32 | C33 | C34 | H67 | 62.4° | 177.7° |
| C32 | N31 | C30 | H62 | 122.2° | 180.0° |
| C32 | N31 | C30 | N29 | 1.8° | 180.0° |
| C32 | N31 | C30 | N38 | 176.4° | 0.0° |
| N31 | C32 | C37 | H70 | 67.4° | 63.2° |
| N31 | C32 | C37 | H71 | 52.0° | 56.9° |
| N31 | C32 | C33 | H64 | 52.2° | 63.2° |
| N31 | C32 | C33 | H65 | 67.6° | 56.9° |
| N31 | C30 | N29 | N38 | 177.9° | 180.0° |
| N31 | C30 | N29 | C28 | 179.9° | 180.0° |
| N31 | C30 | N38 | C39 | 179.5° | 179.8° |
| C30 | N31 | C32 | H63 | 40.9° | 34.9° |
| N29 | C30 | N38 | C39 | 2.5° | 0.3° |
| C30 | N29 | C28 | C23 | 177.6° | 180.0° |
| C30 | N29 | C28 | C40 | 0.5° | 0.3° |
| N29 | C30 | N31 | H62 | 123.9° | 0.0° |
| N38 | C30 | N29 | C28 | 2.2° | 0.0° |
| C30 | N38 | C39 | C40 | 1.3° | 0.3° |
| C30 | N38 | C39 | H72 | 178.7° | 179.7° |
| N38 | C30 | N31 | H62 | 54.2° | 180.0° |
| N29 | C28 | C23 | C40 | 178.0° | 179.7° |
| N29 | C28 | C23 | C24 | 140.6° | 35.3° |
| N29 | C28 | C23 | C22 | 41.5° | 144.7° |
| N29 | C28 | C40 | C39 | 0.5° | 0.3° |
| N29 | C28 | C40 | CL1 | 179.8° | 179.7° |
| N38 | C39 | C40 | C28 | 0.1° | 0.0° |
| N38 | C39 | C40 | H72 | 180.0° | 180.0° |
| N38 | C39 | C40 | CL1 | 179.8° | 180.0° |
| C28 | C23 | C24 | C22 | 177.9° | 180.0° |
| C28 | C23 | C24 | C25 | 178.6° | 180.0° |
| C23 | C28 | C40 | C39 | 178.4° | 180.0° |
| C28 | C23 | C22 | C21 | 180.0° | 180.0° |
| C23 | C28 | C40 | CL1 | 1.9° | 0.0° |
| C28 | C23 | C22 | H60 | 0.0° | 0.0° |
| C28 | C23 | C24 | H61 | 1.4° | 0.1° |
| C40 | C28 | C23 | C24 | 41.4° | 145.0° |
| C40 | C28 | C23 | C22 | 136.5° | 35.0° |
| C28 | C40 | C39 | CL1 | 179.7° | 180.0° |
| C28 | C40 | C39 | H72 | 180.0° | 180.0° |
| C23 | C24 | C25 | H61 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 177.2° | 179.9° |
| C23 | C24 | C25 | C20 | 0.5° | 0.0° |
| C24 | C23 | C22 | C21 | 2.0° | 0.0° |
| C24 | C23 | C22 | H60 | 178.0° | 180.0° |
| C25 | C24 | C23 | C22 | 0.7° | 0.0° |
| C24 | C25 | C26 | C20 | 177.9° | 179.8° |
| C24 | C25 | C26 | O27 | 7.8° | 0.2° |
| C24 | C25 | C26 | N18 | 172.9° | 179.8° |
| C24 | C25 | C20 | C21 | 0.4° | 0.1° |
| C24 | C25 | C20 | C19 | 178.9° | 179.9° |
| C23 | C22 | C21 | H60 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 2.1° | 0.0° |
| C23 | C22 | C21 | H59 | 177.9° | 180.0° |
| C22 | C23 | C24 | H61 | 179.3° | 179.9° |
| C17 | C16 | N18 | C26 | 158.4° | 59.8° |
| C17 | C16 | N18 | C14 | 125.4° | 120.0° |
| C17 | C16 | N18 | H43 | 117.7° | 120.0° |
| C17 | C16 | N18 | C19 | 39.0° | 120.0° |
| C17 | C16 | C14 | H43 | 116.6° | 120.0° |
| C17 | C16 | C14 | N13 | 63.7° | 60.0° |
| C17 | C16 | C14 | O15 | 116.4° | 120.0° |
| C16 | C17 | H55 | H54 | 120.0° | 120.0° |
| C16 | C17 | H55 | H56 | 120.0° | 120.0° |
| C16 | C17 | H54 | H56 | 120.0° | 120.0° |
| C25 | C26 | O27 | N18 | 179.3° | 180.0° |
| C25 | C26 | N18 | C16 | 176.6° | 180.0° |
| C25 | C26 | N18 | C19 | 12.3° | 0.1° |
| C26 | C25 | C20 | C21 | 177.8° | 179.9° |
| C26 | C25 | C20 | C19 | 2.9° | 0.1° |
| C26 | C25 | C24 | H61 | 2.8° | 0.0° |
| C25 | C20 | C21 | C22 | 0.9° | 0.0° |
| C20 | C25 | C26 | O27 | 170.2° | 180.0° |
| C20 | C25 | C26 | N18 | 9.2° | 0.0° |
| C25 | C20 | C19 | N18 | 4.0° | 0.1° |
| C25 | C20 | C21 | C19 | 179.2° | 180.0° |
| C25 | C20 | C19 | H58 | 122.8° | 119.3° |
| C25 | C20 | C19 | H57 | 114.7° | 119.0° |
| C25 | C20 | C21 | H59 | 179.1° | 179.9° |
| C20 | C25 | C24 | H61 | 179.5° | 179.9° |
| C22 | C21 | C20 | H59 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 179.9° | 180.0° |
| O27 | C26 | N18 | C16 | 2.8° | 0.0° |
| O27 | C26 | N18 | C19 | 167.1° | 179.9° |
| C26 | N18 | C16 | C19 | 162.6° | 179.8° |
| C26 | N18 | C19 | C20 | 10.4° | 0.2° |
| C26 | N18 | C16 | C14 | 76.2° | 60.2° |
| C26 | N18 | C16 | H43 | 40.7° | 179.7° |
| C26 | N18 | C19 | H58 | 129.1° | 119.4° |
| C26 | N18 | C19 | H57 | 108.4° | 119.1° |
| CL1 | C40 | C39 | H72 | 0.3° | 0.0° |
| C16 | N18 | C19 | C20 | 174.4° | 180.0° |
| N18 | C16 | C14 | H43 | 117.4° | 120.1° |
| N18 | C16 | C14 | N13 | 170.3° | 179.9° |
| N18 | C16 | C14 | O15 | 9.6° | 0.1° |
| C16 | N18 | C19 | H58 | 66.8° | 60.8° |
| C16 | N18 | C19 | H57 | 55.7° | 60.8° |
| N18 | C16 | C17 | H55 | 180.0° | 60.0° |
| N18 | C16 | C17 | H54 | 60.0° | 60.0° |
| N18 | C16 | C17 | H56 | 60.0° | 180.0° |
| N18 | C19 | C20 | C21 | 175.2° | 179.8° |
| N18 | C19 | C20 | H58 | 118.8° | 119.2° |
| N18 | C19 | C20 | H57 | 118.8° | 119.2° |
| C19 | N18 | C16 | C14 | 86.4° | 120.0° |
| C19 | N18 | C16 | H43 | 156.7° | 0.1° |
| N18 | C19 | H58 | H57 | 123.5° | 121.5° |
| C21 | C20 | C19 | H58 | 56.5° | 60.6° |
| C21 | C20 | C19 | H57 | 66.0° | 61.0° |
| C20 | C21 | C22 | H60 | 177.9° | 180.0° |
| C20 | C19 | H58 | H57 | 123.5° | 121.6° |
| C19 | C20 | C21 | H59 | 0.1° | 0.1° |
| C16 | C14 | N13 | O15 | 179.8° | 180.0° |
| C16 | C14 | N13 | C10 | 177.8° | 180.0° |
| C16 | C14 | N13 | H53 | 2.3° | 0.0° |
| C14 | C16 | C17 | H55 | 54.7° | 60.0° |
| C14 | C16 | C17 | H54 | 65.3° | 180.0° |
| C14 | C16 | C17 | H56 | 174.7° | 60.0° |
| C14 | N13 | C10 | H53 | 180.0° | 179.9° |
| C14 | N13 | C10 | C11 | 132.1° | 85.0° |
| C14 | N13 | C10 | C8 | 106.9° | 155.0° |
| C14 | N13 | C10 | H42 | 14.1° | 35.0° |
| N13 | C14 | C16 | H43 | 52.9° | 60.0° |
| O15 | C14 | N13 | C10 | 2.4° | 0.0° |
| O15 | C14 | C16 | H43 | 127.0° | 120.0° |
| O15 | C14 | N13 | H53 | 177.6° | 179.9° |
| N13 | C10 | C11 | O12 | 61.9° | 65.0° |
| N13 | C10 | C8 | C9 | 16.4° | 140.8° |
| N13 | C10 | C11 | C8 | 122.8° | 120.0° |
| N13 | C10 | C11 | H42 | 118.5° | 120.0° |
| N13 | C10 | C8 | H42 | 121.4° | 120.0° |
| N13 | C10 | C8 | C7 | 164.8° | 40.0° |
| N13 | C10 | C11 | H50 | 178.2° | 55.0° |
| N13 | C10 | C11 | H51 | 58.1° | 175.0° |
| O12 | C11 | C10 | H50 | 120.0° | 120.0° |
| O12 | C11 | C10 | H51 | 120.0° | 120.0° |
| O12 | C11 | C10 | C8 | 60.9° | 55.0° |
| O12 | C11 | C10 | H42 | 179.6° | 175.0° |
| O12 | C11 | H50 | H51 | 120.2° | 120.0° |
| C1 | O2 | C3 | C9 | 176.0° | 179.8° |
| C1 | O2 | C3 | C4 | 4.9° | 0.0° |
| O2 | C1 | H46 | H45 | 120.0° | 120.0° |
| O2 | C1 | H46 | H44 | 120.0° | 120.0° |
| O2 | C1 | H45 | H44 | 120.0° | 120.0° |
| O2 | C3 | C9 | C4 | 179.1° | 179.8° |
| O2 | C3 | C9 | C8 | 178.5° | 179.7° |
| O2 | C3 | C4 | C5 | 178.3° | 180.0° |
| C3 | O2 | C1 | H46 | 180.0° | 180.0° |
| C3 | O2 | C1 | H45 | 60.0° | 60.0° |
| C3 | O2 | C1 | H44 | 60.0° | 60.0° |
| O2 | C3 | C4 | H47 | 1.8° | 0.0° |
| O2 | C3 | C9 | H49 | 1.5° | 0.2° |
| C3 | C9 | C8 | H49 | 180.0° | 179.9° |
| C3 | C9 | C8 | C10 | 178.9° | 179.8° |
| C3 | C9 | C8 | C7 | 0.1° | 0.6° |
| C9 | C3 | C4 | C5 | 0.7° | 0.2° |
| C9 | C3 | C4 | H47 | 179.3° | 179.8° |
| C9 | C8 | C10 | C11 | 103.4° | 99.2° |
| C9 | C8 | C10 | C7 | 178.8° | 179.2° |
| C8 | C9 | C3 | C4 | 0.6° | 0.0° |
| C9 | C8 | C7 | C5 | 0.2° | 0.8° |
| C9 | C8 | C7 | H48 | 179.8° | 179.7° |
| C9 | C8 | C10 | H42 | 137.8° | 20.8° |
| C11 | C10 | C8 | H42 | 118.8° | 120.0° |
| C11 | C10 | C8 | C7 | 75.4° | 80.0° |
| C10 | C11 | H50 | H51 | 120.2° | 120.0° |
| C10 | C11 | O12 | H52 | 180.0° | 180.0° |
| C11 | C10 | N13 | H53 | 47.9° | 95.0° |
| C10 | C8 | C7 | C5 | 178.6° | 180.0° |
| C10 | C8 | C7 | H48 | 1.4° | 0.5° |
| C8 | C10 | C11 | H50 | 59.1° | 175.0° |
| C8 | C10 | C11 | H51 | 179.1° | 65.0° |
| C10 | C8 | C9 | H49 | 1.1° | 0.3° |
| C8 | C10 | N13 | H53 | 73.1° | 25.0° |
| C3 | C4 | C5 | H47 | 180.0° | 180.0° |
| C3 | C4 | C5 | C7 | 0.4° | 0.0° |
| C3 | C4 | C5 | F6 | 179.4° | 180.0° |
| C4 | C3 | C9 | H49 | 179.4° | 180.0° |
| C8 | C7 | C5 | C4 | 0.1° | 0.5° |
| C8 | C7 | C5 | H48 | 180.0° | 179.5° |
| C8 | C7 | C5 | F6 | 179.9° | 179.4° |
| C7 | C8 | C10 | H42 | 43.4° | 160.0° |
| C7 | C8 | C9 | H49 | 179.9° | 179.5° |
| C4 | C5 | C7 | F6 | 179.8° | 180.0° |
| C4 | C5 | C7 | H48 | 179.9° | 180.0° |
| C7 | C5 | C4 | H47 | 179.6° | 180.0° |
| F6 | C5 | C7 | H48 | 0.1° | 0.0° |
| F6 | C5 | C4 | H47 | 0.6° | 0.1° |
| H46 | C1 | H45 | H44 | 120.0° | 120.0° |
| H42 | C10 | C11 | H50 | 59.7° | 65.0° |
| H42 | C10 | C11 | H51 | 60.4° | 55.0° |
| H42 | C10 | N13 | H53 | 165.9° | 145.1° |
| H50 | C11 | O12 | H52 | 60.0° | 59.9° |
| H51 | C11 | O12 | H52 | 60.1° | 60.0° |
| H43 | C16 | C17 | H55 | 61.9° | 180.0° |
| H43 | C16 | C17 | H54 | 178.2° | 60.0° |
| H43 | C16 | C17 | H56 | 58.2° | 60.0° |
| H59 | C21 | C22 | H60 | 2.2° | 0.0° |
| H69 | C36 | C37 | H70 | 55.6° | 62.5° |
| H69 | C36 | C37 | H71 | 175.0° | 57.7° |
| H68 | C36 | C37 | H70 | 63.9° | 57.5° |
| H68 | C36 | C37 | H71 | 55.5° | 177.7° |
| H70 | C37 | C32 | H63 | 51.6° | 57.0° |
| H71 | C37 | C32 | H63 | 171.0° | 177.1° |
| H55 | C17 | H54 | H56 | 120.0° | 120.0° |
| H62 | N31 | C32 | H63 | 163.1° | 145.2° |
| H63 | C32 | C33 | H64 | 171.8° | 57.0° |
| H63 | C32 | C33 | H65 | 52.0° | 177.1° |
| H64 | C33 | C34 | H66 | 58.2° | 57.6° |
| H64 | C33 | C34 | H67 | 177.6° | 62.4° |
| H65 | C33 | C34 | H66 | 61.6° | 177.6° |
| H65 | C33 | C34 | H67 | 57.7° | 57.7° |
