YHC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | O31 | sing | 1.43Å | 1.43Å | |
| C32 | C33 | sing | 1.50Å | 1.49Å | |
| O31 | C30 | sing | 1.43Å | 1.44Å | |
| C33 | C28 | doub | 1.32Å | 1.35Å | |
| C13 | N12 | sing | 1.47Å | 1.47Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| N10 | C11 | doub | 1.32Å | 1.31Å | Aromatic |
| N10 | C9 | sing | 1.34Å | 1.38Å | Aromatic |
| N12 | C11 | sing | 1.38Å | 1.38Å | |
| N12 | C3 | sing | 1.37Å | 1.42Å | |
| C28 | C9 | sing | 1.48Å | 1.46Å | |
| C28 | C29 | sing | 1.50Å | 1.51Å | |
| C11 | N7 | sing | 1.36Å | 1.35Å | Aromatic |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C9 | N8 | doub | 1.32Å | 1.33Å | Aromatic |
| N16 | C14 | sing | 1.35Å | 1.35Å | |
| N16 | C17 | sing | 1.40Å | 1.41Å | |
| C3 | C4 | doub | 1.35Å | 1.38Å | |
| N45 | C44 | doub | 1.32Å | 1.34Å | Aromatic |
| N45 | C46 | sing | 1.32Å | 1.34Å | Aromatic |
| C39 | C38 | sing | 1.53Å | 1.53Å | |
| C39 | N34 | sing | 1.47Å | 1.48Å | |
| C14 | O15 | doub | 1.21Å | 1.23Å | |
| C30 | C29 | sing | 1.53Å | 1.55Å | |
| C44 | N43 | sing | 1.31Å | 1.34Å | Aromatic |
| N7 | N8 | sing | 1.40Å | 1.37Å | Aromatic |
| N7 | C5 | sing | 1.34Å | 1.39Å | |
| C18 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C38 | N37 | sing | 1.47Å | 1.47Å | |
| C4 | C5 | sing | 1.42Å | 1.45Å | |
| C4 | N34 | sing | 1.41Å | 1.35Å | |
| C17 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C47 | C46 | sing | 1.51Å | 1.50Å | |
| C5 | O6 | doub | 1.22Å | 1.23Å | |
| C46 | C48 | doub | 1.39Å | 1.40Å | Aromatic |
| N43 | C42 | doub | 1.33Å | 1.35Å | Aromatic |
| N34 | C35 | sing | 1.47Å | 1.48Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C42 | C48 | sing | 1.40Å | 1.38Å | Aromatic |
| C42 | C40 | sing | 1.48Å | 1.51Å | |
| C48 | O49 | sing | 1.36Å | 1.36Å | |
| N37 | C40 | sing | 1.35Å | 1.35Å | |
| N37 | C36 | sing | 1.47Å | 1.47Å | |
| C22 | CL23 | sing | 1.74Å | 1.74Å | |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C24 | sing | 1.51Å | 1.50Å | |
| C35 | C36 | sing | 1.53Å | 1.52Å | |
| C40 | O41 | doub | 1.22Å | 1.23Å | |
| F25 | C24 | sing | 1.40Å | 1.32Å | |
| F27 | C24 | sing | 1.40Å | 1.34Å | |
| C24 | F26 | sing | 1.40Å | 1.35Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C44 | H6 | sing | 1.08Å | 1.08Å | |
| C47 | H7 | sing | 1.09Å | 1.10Å | |
| C47 | H8 | sing | 1.09Å | 1.10Å | |
| C47 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C29 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C30 | H17 | sing | 1.09Å | 1.10Å | |
| C30 | H18 | sing | 1.09Å | 1.10Å | |
| N16 | H19 | sing | 0.97Å | 1.00Å | |
| C32 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C33 | H22 | sing | 1.08Å | 1.08Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| C35 | H24 | sing | 1.09Å | 1.10Å | |
| C36 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H26 | sing | 1.09Å | 1.10Å | |
| C38 | H27 | sing | 1.09Å | 1.10Å | |
| C38 | H28 | sing | 1.09Å | 1.10Å | |
| C39 | H29 | sing | 1.09Å | 1.10Å | |
| C39 | H30 | sing | 1.09Å | 1.10Å | |
| O49 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O31 | C32 | C33 | 112.1° | 110.0° |
| C32 | O31 | C30 | 112.3° | 113.1° |
| O31 | C32 | H20 | 108.8° | 109.4° |
| O31 | C32 | H21 | 108.8° | 109.4° |
| C32 | C33 | C28 | 121.8° | 122.6° |
| C33 | C32 | H20 | 108.8° | 109.2° |
| C33 | C32 | H21 | 108.8° | 109.6° |
| C32 | C33 | H22 | 119.1° | 118.7° |
| O31 | C30 | C29 | 111.6° | 108.4° |
| O31 | C30 | H17 | 109.0° | 109.6° |
| O31 | C30 | H18 | 109.0° | 109.9° |
| C33 | C28 | C9 | 119.4° | 118.8° |
| C33 | C28 | C29 | 121.8° | 122.3° |
| C28 | C33 | H22 | 119.1° | 118.7° |
| N12 | C13 | C14 | 107.8° | 109.5° |
| C13 | N12 | C11 | 119.3° | 119.8° |
| C13 | N12 | C3 | 123.0° | 119.9° |
| N12 | C13 | H10 | 109.9° | 109.5° |
| N12 | C13 | H11 | 109.9° | 109.5° |
| C13 | C14 | N16 | 114.7° | 120.0° |
| C13 | C14 | O15 | 120.5° | 120.0° |
| C14 | C13 | H10 | 109.9° | 109.4° |
| C14 | C13 | H11 | 109.9° | 109.5° |
| C11 | N10 | C9 | 102.2° | 109.7° |
| N10 | C11 | N12 | 126.8° | 132.2° |
| N10 | C11 | N7 | 111.0° | 107.7° |
| N10 | C9 | C28 | 122.1° | 125.5° |
| N10 | C9 | N8 | 115.5° | 109.1° |
| C11 | N12 | C3 | 117.4° | 120.3° |
| N12 | C11 | N7 | 122.2° | 120.1° |
| N12 | C3 | C2 | 120.5° | 120.0° |
| N12 | C3 | C4 | 119.2° | 119.9° |
| C9 | C28 | C29 | 118.7° | 118.9° |
| C28 | C9 | N8 | 122.4° | 125.4° |
| C28 | C29 | C30 | 111.0° | 109.6° |
| C28 | C29 | H15 | 109.1° | 109.5° |
| C28 | C29 | H16 | 109.1° | 109.5° |
| C11 | N7 | N8 | 110.4° | 106.6° |
| C11 | N7 | C5 | 124.6° | 120.5° |
| C3 | C2 | C1 | 111.8° | 109.5° |
| C2 | C3 | C4 | 120.3° | 120.1° |
| C3 | C2 | H4 | 108.9° | 109.5° |
| C3 | C2 | H5 | 108.9° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 108.9° | 109.5° |
| C1 | C2 | H5 | 108.9° | 109.5° |
| C9 | N8 | N7 | 100.9° | 106.8° |
| C14 | N16 | C17 | 127.1° | 120.0° |
| N16 | C14 | O15 | 124.6° | 120.0° |
| C14 | N16 | H19 | 116.5° | 120.1° |
| N16 | C17 | C18 | 121.5° | 120.1° |
| N16 | C17 | C22 | 120.2° | 120.1° |
| C17 | N16 | H19 | 116.5° | 119.9° |
| C3 | C4 | C5 | 123.6° | 119.5° |
| C3 | C4 | N34 | 127.8° | 120.2° |
| C44 | N45 | C46 | 115.6° | 121.1° |
| N45 | C44 | N43 | 128.4° | 122.1° |
| N45 | C44 | H6 | 115.8° | 119.0° |
| N45 | C46 | C47 | 117.6° | 120.5° |
| N45 | C46 | C48 | 121.2° | 119.1° |
| C38 | C39 | N34 | 110.8° | 108.9° |
| C39 | C38 | N37 | 109.9° | 108.7° |
| C39 | C38 | H27 | 109.4° | 109.7° |
| C39 | C38 | H28 | 109.3° | 109.6° |
| C38 | C39 | H29 | 109.1° | 109.6° |
| C38 | C39 | H30 | 109.1° | 109.7° |
| C39 | N34 | C4 | 120.8° | 120.5° |
| C39 | N34 | C35 | 116.5° | 118.8° |
| N34 | C39 | H29 | 109.1° | 109.7° |
| N34 | C39 | H30 | 109.1° | 109.3° |
| C30 | C29 | H15 | 109.1° | 109.5° |
| C30 | C29 | H16 | 109.1° | 109.4° |
| C29 | C30 | H17 | 108.9° | 109.6° |
| C29 | C30 | H18 | 108.9° | 109.7° |
| C44 | N43 | C42 | 115.3° | 120.8° |
| N43 | C44 | H6 | 115.8° | 118.9° |
| N8 | N7 | C5 | 125.0° | 132.9° |
| N7 | C5 | C4 | 112.9° | 119.7° |
| N7 | C5 | O6 | 120.7° | 120.2° |
| C17 | C18 | C19 | 120.2° | 120.0° |
| C18 | C17 | C22 | 118.2° | 119.9° |
| C17 | C18 | H12 | 119.9° | 120.0° |
| C18 | C19 | C20 | 120.9° | 120.1° |
| C19 | C18 | H12 | 119.9° | 120.0° |
| C18 | C19 | H13 | 119.5° | 120.0° |
| C38 | N37 | C40 | 127.4° | 120.6° |
| C38 | N37 | C36 | 112.0° | 118.8° |
| N37 | C38 | H27 | 109.3° | 109.6° |
| N37 | C38 | H28 | 109.3° | 109.6° |
| C5 | C4 | N34 | 108.5° | 120.3° |
| C4 | C5 | O6 | 126.3° | 120.2° |
| C4 | N34 | C35 | 121.0° | 120.6° |
| C17 | C22 | CL23 | 119.9° | 120.0° |
| C17 | C22 | C21 | 121.8° | 119.9° |
| C47 | C46 | C48 | 121.2° | 120.4° |
| C46 | C47 | H7 | 109.5° | 109.5° |
| C46 | C47 | H8 | 109.5° | 109.4° |
| C46 | C47 | H9 | 109.5° | 109.5° |
| C46 | C48 | C42 | 118.0° | 118.1° |
| C46 | C48 | O49 | 120.4° | 121.0° |
| N43 | C42 | C48 | 121.6° | 118.8° |
| N43 | C42 | C40 | 118.1° | 120.6° |
| N34 | C35 | C36 | 110.7° | 108.6° |
| N34 | C35 | H23 | 109.1° | 109.6° |
| N34 | C35 | H24 | 109.1° | 109.6° |
| C19 | C20 | C21 | 119.7° | 120.2° |
| C19 | C20 | C24 | 120.5° | 119.9° |
| C20 | C19 | H13 | 119.5° | 119.9° |
| C48 | C42 | C40 | 120.4° | 120.6° |
| C42 | C48 | O49 | 121.6° | 120.9° |
| C42 | C40 | N37 | 119.3° | 120.0° |
| C42 | C40 | O41 | 118.4° | 120.0° |
| C48 | O49 | H31 | 109.5° | 114.0° |
| C40 | N37 | C36 | 120.5° | 120.6° |
| N37 | C40 | O41 | 122.3° | 120.0° |
| N37 | C36 | C35 | 110.2° | 108.6° |
| N37 | C36 | H25 | 109.3° | 109.6° |
| N37 | C36 | H26 | 109.3° | 109.7° |
| CL23 | C22 | C21 | 118.3° | 120.1° |
| C22 | C21 | C20 | 119.2° | 120.0° |
| C22 | C21 | H14 | 120.4° | 120.0° |
| C21 | C20 | C24 | 119.8° | 119.9° |
| C20 | C21 | H14 | 120.4° | 120.0° |
| C20 | C24 | F25 | 112.4° | 109.4° |
| C20 | C24 | F27 | 112.4° | 109.5° |
| C20 | C24 | F26 | 112.8° | 109.5° |
| C36 | C35 | H23 | 109.2° | 109.6° |
| C36 | C35 | H24 | 109.2° | 109.6° |
| C35 | C36 | H25 | 109.3° | 109.6° |
| C35 | C36 | H26 | 109.3° | 109.6° |
| F25 | C24 | F27 | 105.9° | 109.5° |
| F25 | C24 | F26 | 106.2° | 109.5° |
| F27 | C24 | F26 | 106.7° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H4 | C2 | H5 | 109.5° | 109.4° |
| H7 | C47 | H8 | 109.5° | 109.5° |
| H7 | C47 | H9 | 109.5° | 109.5° |
| H8 | C47 | H9 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H15 | C29 | H16 | 109.4° | 109.4° |
| H17 | C30 | H18 | 109.4° | 109.6° |
| H20 | C32 | H21 | 109.5° | 109.3° |
| H23 | C35 | H24 | 109.5° | 109.8° |
| H25 | C36 | H26 | 109.5° | 109.6° |
| H27 | C38 | H28 | 109.5° | 109.6° |
| H29 | C39 | H30 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O31 | C32 | C33 | H20 | 120.4° | 120.1° |
| O31 | C32 | C33 | H21 | 120.4° | 120.3° |
| O31 | C32 | C33 | C28 | 17.5° | 16.1° |
| C32 | O31 | C30 | C29 | 63.7° | 68.7° |
| C32 | O31 | C30 | H17 | 56.7° | 171.6° |
| C32 | O31 | C30 | H18 | 176.0° | 51.1° |
| O31 | C32 | H20 | H21 | 118.8° | 119.7° |
| O31 | C32 | C33 | H22 | 162.5° | 164.5° |
| C33 | C32 | O31 | C30 | 52.5° | 50.7° |
| C32 | C33 | C28 | H22 | 180.0° | 179.4° |
| C32 | C33 | C28 | C9 | 174.7° | 179.3° |
| C32 | C33 | C28 | C29 | 5.9° | 0.9° |
| C33 | C32 | H20 | H21 | 118.8° | 119.8° |
| O31 | C30 | C29 | C28 | 37.4° | 48.1° |
| O31 | C30 | C29 | H17 | 120.3° | 119.6° |
| O31 | C30 | C29 | H18 | 120.3° | 119.9° |
| O31 | C30 | C29 | H15 | 82.8° | 72.0° |
| O31 | C30 | C29 | H16 | 157.7° | 168.1° |
| O31 | C30 | H17 | H18 | 119.1° | 120.7° |
| C30 | O31 | C32 | H20 | 172.8° | 170.7° |
| C30 | O31 | C32 | H21 | 67.9° | 69.7° |
| C33 | C28 | C9 | N10 | 9.5° | 0.2° |
| C33 | C28 | C9 | C29 | 179.3° | 179.8° |
| C33 | C28 | C9 | N8 | 171.0° | 179.7° |
| C33 | C28 | C29 | C30 | 4.2° | 16.9° |
| C33 | C28 | C29 | H15 | 116.1° | 103.1° |
| C33 | C28 | C29 | H16 | 124.4° | 137.0° |
| C28 | C33 | C32 | H20 | 137.9° | 136.2° |
| C28 | C33 | C32 | H21 | 103.0° | 104.2° |
| N12 | C13 | C14 | H10 | 119.7° | 120.0° |
| N12 | C13 | C14 | H11 | 119.7° | 120.0° |
| C13 | N12 | C11 | N10 | 5.8° | 0.0° |
| C13 | N12 | C11 | C3 | 173.8° | 179.6° |
| C13 | N12 | C11 | N7 | 172.4° | 180.0° |
| C13 | N12 | C3 | C2 | 9.1° | 0.2° |
| N12 | C13 | C14 | N16 | 175.3° | 180.0° |
| C13 | N12 | C3 | C4 | 172.3° | 180.0° |
| N12 | C13 | C14 | O15 | 1.5° | 0.0° |
| N12 | C13 | H10 | H11 | 120.8° | 120.0° |
| C14 | C13 | N12 | C11 | 77.9° | 90.0° |
| C14 | C13 | N12 | C3 | 95.6° | 90.5° |
| C13 | C14 | N16 | O15 | 176.6° | 180.0° |
| C13 | C14 | N16 | C17 | 176.6° | 175.2° |
| C14 | C13 | H10 | H11 | 120.8° | 120.0° |
| C13 | C14 | N16 | H19 | 3.4° | 4.8° |
| N10 | C11 | N12 | N7 | 178.2° | 180.0° |
| N10 | C11 | N12 | C3 | 179.6° | 179.5° |
| C11 | N10 | C9 | C28 | 179.2° | 179.9° |
| C11 | N10 | C9 | N8 | 0.3° | 0.0° |
| N10 | C11 | N7 | N8 | 0.7° | 0.0° |
| N10 | C11 | N7 | C5 | 179.6° | 179.7° |
| C9 | N10 | C11 | N12 | 177.8° | 180.0° |
| N10 | C9 | C28 | N8 | 179.5° | 179.9° |
| N10 | C9 | C28 | C29 | 169.9° | 180.0° |
| C9 | N10 | C11 | N7 | 0.6° | 0.0° |
| N10 | C9 | N8 | N7 | 0.0° | 0.0° |
| C11 | N12 | C3 | C2 | 177.3° | 179.8° |
| C11 | N12 | C3 | C4 | 1.2° | 0.4° |
| N12 | C11 | N7 | N8 | 177.8° | 180.0° |
| N12 | C11 | N7 | C5 | 1.1° | 0.3° |
| C11 | N12 | C13 | H10 | 162.4° | 30.0° |
| C11 | N12 | C13 | H11 | 41.9° | 150.0° |
| C3 | N12 | C11 | N7 | 1.4° | 0.5° |
| N12 | C3 | C2 | C4 | 178.6° | 179.8° |
| N12 | C3 | C2 | C1 | 96.2° | 90.2° |
| N12 | C3 | C4 | C5 | 0.8° | 0.2° |
| N12 | C3 | C4 | N34 | 176.9° | 179.7° |
| N12 | C3 | C2 | H4 | 143.4° | 149.8° |
| N12 | C3 | C2 | H5 | 24.1° | 29.8° |
| C3 | N12 | C13 | H10 | 24.1° | 149.6° |
| C3 | N12 | C13 | H11 | 144.7° | 29.6° |
| C9 | C28 | C29 | C30 | 175.1° | 163.3° |
| C28 | C9 | N8 | N7 | 179.6° | 179.9° |
| C9 | C28 | C29 | H15 | 64.6° | 76.6° |
| C9 | C28 | C29 | H16 | 54.9° | 43.3° |
| C9 | C28 | C33 | H22 | 5.3° | 0.1° |
| C29 | C28 | C9 | N8 | 9.7° | 0.1° |
| C28 | C29 | C30 | H15 | 120.3° | 120.1° |
| C28 | C29 | C30 | H16 | 120.3° | 120.0° |
| C28 | C29 | H15 | H16 | 119.3° | 120.0° |
| C28 | C29 | C30 | H17 | 82.9° | 167.7° |
| C28 | C29 | C30 | H18 | 157.8° | 71.9° |
| C29 | C28 | C33 | H22 | 174.1° | 179.7° |
| C11 | N7 | N8 | C9 | 0.4° | 0.0° |
| C11 | N7 | N8 | C5 | 178.9° | 179.7° |
| C11 | N7 | C5 | C4 | 0.6° | 0.0° |
| C11 | N7 | C5 | O6 | 177.9° | 180.0° |
| C3 | C2 | C1 | H4 | 120.4° | 120.0° |
| C3 | C2 | C1 | H5 | 120.4° | 120.0° |
| C2 | C3 | C4 | C5 | 177.7° | 180.0° |
| C2 | C3 | C4 | N34 | 1.7° | 0.0° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H2 | 60.0° | 60.1° |
| C3 | C2 | C1 | H3 | 60.0° | 180.0° |
| C3 | C2 | H4 | H5 | 118.9° | 120.0° |
| C1 | C2 | C3 | C4 | 85.2° | 90.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.1° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 118.9° | 120.0° |
| C9 | N8 | N7 | C5 | 179.3° | 179.7° |
| C14 | N16 | C17 | H19 | 180.0° | 180.0° |
| C14 | N16 | C17 | C18 | 123.7° | 34.8° |
| C14 | N16 | C17 | C22 | 54.0° | 144.9° |
| N16 | C14 | C13 | H10 | 55.6° | 60.0° |
| N16 | C14 | C13 | H11 | 64.9° | 60.0° |
| C17 | N16 | C14 | O15 | 6.8° | 4.8° |
| N16 | C17 | C18 | C22 | 177.7° | 179.7° |
| N16 | C17 | C18 | C19 | 177.3° | 179.8° |
| N16 | C17 | C22 | CL23 | 4.6° | 0.3° |
| N16 | C17 | C22 | C21 | 177.3° | 179.7° |
| N16 | C17 | C18 | H12 | 2.7° | 0.3° |
| C3 | C4 | N34 | C39 | 91.7° | 115.1° |
| C3 | C4 | C5 | N7 | 0.5° | 0.0° |
| C3 | C4 | C5 | N34 | 176.7° | 179.9° |
| C3 | C4 | C5 | O6 | 177.9° | 179.9° |
| C3 | C4 | N34 | C35 | 104.0° | 65.2° |
| C4 | C3 | C2 | H4 | 35.1° | 30.0° |
| C4 | C3 | C2 | H5 | 154.4° | 149.9° |
| N45 | C44 | N43 | H6 | 180.0° | 179.9° |
| C44 | N45 | C46 | C47 | 178.5° | 180.0° |
| C44 | N45 | C46 | C48 | 0.5° | 0.6° |
| N45 | C44 | N43 | C42 | 0.5° | 0.0° |
| C46 | N45 | C44 | N43 | 0.4° | 0.3° |
| N45 | C46 | C47 | C48 | 179.0° | 179.5° |
| N45 | C46 | C48 | C42 | 0.6° | 0.5° |
| N45 | C46 | C48 | O49 | 177.1° | 179.4° |
| C46 | N45 | C44 | H6 | 179.6° | 179.8° |
| N45 | C46 | C47 | H7 | 0.0° | 90.5° |
| N45 | C46 | C47 | H8 | 120.0° | 29.5° |
| N45 | C46 | C47 | H9 | 120.0° | 149.4° |
| C38 | C39 | N34 | H29 | 120.2° | 119.9° |
| C38 | C39 | N34 | H30 | 120.2° | 119.8° |
| C39 | C38 | N37 | H27 | 120.1° | 119.9° |
| C39 | C38 | N37 | H28 | 120.0° | 119.8° |
| C38 | C39 | N34 | C4 | 146.7° | 124.8° |
| C38 | C39 | N34 | C35 | 48.2° | 54.9° |
| C39 | C38 | N37 | C40 | 118.0° | 124.9° |
| C39 | C38 | N37 | C36 | 60.2° | 55.1° |
| C39 | C38 | H27 | H28 | 119.8° | 120.4° |
| C38 | C39 | H29 | H30 | 119.4° | 120.5° |
| N34 | C39 | C38 | N37 | 52.0° | 49.2° |
| C39 | N34 | C4 | C5 | 84.9° | 65.0° |
| C39 | N34 | C4 | C35 | 164.4° | 179.7° |
| C39 | N34 | C35 | C36 | 48.4° | 54.9° |
| C39 | N34 | C35 | H23 | 168.6° | 64.8° |
| C39 | N34 | C35 | H24 | 71.8° | 174.7° |
| N34 | C39 | C38 | H27 | 172.1° | 169.0° |
| N34 | C39 | C38 | H28 | 68.1° | 70.5° |
| N34 | C39 | H29 | H30 | 119.4° | 120.1° |
| O15 | C14 | C13 | H10 | 121.2° | 120.0° |
| O15 | C14 | C13 | H11 | 118.3° | 120.0° |
| O15 | C14 | N16 | H19 | 173.2° | 175.2° |
| C30 | C29 | H15 | H16 | 119.3° | 119.9° |
| C29 | C30 | H17 | H18 | 119.0° | 120.4° |
| C44 | N43 | C42 | C48 | 0.6° | 0.0° |
| C44 | N43 | C42 | C40 | 179.8° | 179.8° |
| N8 | N7 | C5 | C4 | 178.2° | 179.7° |
| N8 | N7 | C5 | O6 | 3.3° | 0.4° |
| N7 | C5 | C4 | O6 | 178.4° | 179.9° |
| N7 | C5 | C4 | N34 | 177.2° | 180.0° |
| C17 | C18 | C19 | H12 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.4° | 0.1° |
| C18 | C17 | C22 | CL23 | 177.6° | 180.0° |
| C18 | C17 | C22 | C21 | 0.5° | 0.1° |
| C17 | C18 | C19 | H13 | 179.6° | 180.0° |
| C18 | C17 | N16 | H19 | 56.4° | 145.2° |
| C19 | C18 | C17 | C22 | 0.4° | 0.1° |
| C18 | C19 | C20 | H13 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.4° | 0.1° |
| C18 | C19 | C20 | C24 | 177.5° | 180.0° |
| C38 | N37 | C40 | C42 | 15.6° | 172.3° |
| C38 | N37 | C40 | C36 | 178.1° | 179.9° |
| C38 | N37 | C36 | C35 | 60.7° | 55.2° |
| C38 | N37 | C40 | O41 | 165.0° | 7.6° |
| C38 | N37 | C36 | H25 | 179.2° | 174.9° |
| C38 | N37 | C36 | H26 | 59.4° | 64.6° |
| N37 | C38 | H27 | H28 | 119.8° | 120.3° |
| N37 | C38 | C39 | H29 | 172.2° | 169.2° |
| N37 | C38 | C39 | H30 | 68.2° | 70.3° |
| C5 | C4 | N34 | C35 | 79.5° | 114.7° |
| N34 | C4 | C5 | O6 | 1.2° | 0.0° |
| C4 | N34 | C35 | C36 | 146.6° | 124.8° |
| C4 | N34 | C35 | H23 | 26.4° | 115.5° |
| C4 | N34 | C35 | H24 | 93.3° | 5.0° |
| C4 | N34 | C39 | H29 | 26.5° | 4.8° |
| C4 | N34 | C39 | H30 | 93.1° | 115.5° |
| C17 | C22 | CL23 | C21 | 178.2° | 180.0° |
| C17 | C22 | C21 | C20 | 0.5° | 0.0° |
| C22 | C17 | C18 | H12 | 179.6° | 180.0° |
| C17 | C22 | C21 | H14 | 179.5° | 179.9° |
| C22 | C17 | N16 | H19 | 125.9° | 35.1° |
| C47 | C46 | C48 | C42 | 178.3° | 180.0° |
| C47 | C46 | C48 | O49 | 4.0° | 0.0° |
| C46 | C47 | H7 | H8 | 120.0° | 120.0° |
| C46 | C47 | H7 | H9 | 120.0° | 120.0° |
| C46 | C47 | H8 | H9 | 120.0° | 120.0° |
| C46 | C48 | C42 | N43 | 0.7° | 0.2° |
| C46 | C48 | C42 | O49 | 177.7° | 180.0° |
| C46 | C48 | C42 | C40 | 179.7° | 180.0° |
| C48 | C46 | C47 | H7 | 179.0° | 90.0° |
| C48 | C46 | C47 | H8 | 61.0° | 150.0° |
| C48 | C46 | C47 | H9 | 59.0° | 30.0° |
| C46 | C48 | O49 | H31 | 161.6° | 90.0° |
| N43 | C42 | C48 | C40 | 179.6° | 179.8° |
| N43 | C42 | C48 | O49 | 177.0° | 179.7° |
| N43 | C42 | C40 | N37 | 55.3° | 7.8° |
| N43 | C42 | C40 | O41 | 124.1° | 172.2° |
| C42 | N43 | C44 | H6 | 179.5° | 180.0° |
| N34 | C35 | C36 | N37 | 52.6° | 49.4° |
| N34 | C35 | C36 | H23 | 120.2° | 119.7° |
| N34 | C35 | C36 | H24 | 120.2° | 119.8° |
| N34 | C35 | H23 | H24 | 119.4° | 120.4° |
| N34 | C35 | C36 | H25 | 172.7° | 169.1° |
| N34 | C35 | C36 | H26 | 67.6° | 70.5° |
| C35 | N34 | C39 | H29 | 168.4° | 174.9° |
| C35 | N34 | C39 | H30 | 72.0° | 64.8° |
| C19 | C20 | C21 | C22 | 0.5° | 0.1° |
| C19 | C20 | C21 | C24 | 178.0° | 179.9° |
| C19 | C20 | C24 | F25 | 26.9° | 29.9° |
| C19 | C20 | C24 | F27 | 92.4° | 149.9° |
| C19 | C20 | C24 | F26 | 146.9° | 90.1° |
| C20 | C19 | C18 | H12 | 179.6° | 180.0° |
| C19 | C20 | C21 | H14 | 179.5° | 179.9° |
| C48 | C42 | C40 | N37 | 125.1° | 172.5° |
| C48 | C42 | C40 | O41 | 55.5° | 7.6° |
| C42 | C48 | O49 | H31 | 16.1° | 90.1° |
| C40 | C42 | C48 | O49 | 2.6° | 0.0° |
| C42 | C40 | N37 | O41 | 179.4° | 180.0° |
| C42 | C40 | N37 | C36 | 166.3° | 7.7° |
| C40 | N37 | C36 | C35 | 117.7° | 124.7° |
| C40 | N37 | C36 | H25 | 2.4° | 5.0° |
| C40 | N37 | C36 | H26 | 122.2° | 115.5° |
| C40 | N37 | C38 | H27 | 2.1° | 5.0° |
| C40 | N37 | C38 | H28 | 122.0° | 115.4° |
| N37 | C36 | C35 | H25 | 120.1° | 119.8° |
| N37 | C36 | C35 | H26 | 120.1° | 119.9° |
| C36 | N37 | C40 | O41 | 13.1° | 172.3° |
| N37 | C36 | C35 | H23 | 172.7° | 70.3° |
| N37 | C36 | C35 | H24 | 67.6° | 169.2° |
| N37 | C36 | H25 | H26 | 119.7° | 120.5° |
| C36 | N37 | C38 | H27 | 179.7° | 175.0° |
| C36 | N37 | C38 | H28 | 59.8° | 64.7° |
| CL23 | C22 | C21 | C20 | 177.6° | 180.0° |
| CL23 | C22 | C21 | H14 | 2.4° | 0.1° |
| C22 | C21 | C20 | H14 | 180.0° | 180.0° |
| C22 | C21 | C20 | C24 | 177.5° | 180.0° |
| C21 | C20 | C24 | F25 | 155.2° | 150.0° |
| C21 | C20 | C24 | F27 | 85.6° | 30.0° |
| C21 | C20 | C24 | F26 | 35.1° | 90.0° |
| C21 | C20 | C19 | H13 | 179.6° | 180.0° |
| C20 | C24 | F25 | F27 | 123.0° | 120.0° |
| C20 | C24 | F25 | F26 | 123.8° | 120.0° |
| C20 | C24 | F27 | F26 | 124.1° | 120.0° |
| C24 | C20 | C19 | H13 | 2.5° | 0.1° |
| C24 | C20 | C21 | H14 | 2.5° | 0.0° |
| C36 | C35 | H23 | H24 | 119.5° | 120.5° |
| C35 | C36 | H25 | H26 | 119.6° | 120.3° |
| F25 | C24 | F27 | F26 | 112.8° | 120.1° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 59.6° | 60.0° |
| H1 | C1 | C2 | H5 | 59.6° | 180.0° |
| H2 | C1 | C2 | H4 | 179.6° | 179.9° |
| H2 | C1 | C2 | H5 | 60.4° | 60.0° |
| H3 | C1 | C2 | H4 | 60.3° | 60.0° |
| H3 | C1 | C2 | H5 | 179.6° | 60.0° |
| H7 | C47 | H8 | H9 | 120.0° | 120.0° |
| H12 | C18 | C19 | H13 | 0.4° | 0.1° |
| H15 | C29 | C30 | H17 | 156.8° | 47.7° |
| H15 | C29 | C30 | H18 | 37.5° | 168.1° |
| H16 | C29 | C30 | H17 | 37.4° | 72.2° |
| H16 | C29 | C30 | H18 | 82.0° | 48.2° |
| H20 | C32 | C33 | H22 | 42.1° | 44.4° |
| H21 | C32 | C33 | H22 | 77.0° | 75.2° |
| H23 | C35 | C36 | H25 | 67.2° | 49.5° |
| H23 | C35 | C36 | H26 | 52.6° | 169.8° |
| H24 | C35 | C36 | H25 | 52.5° | 71.1° |
| H24 | C35 | C36 | H26 | 172.2° | 49.3° |
| H27 | C38 | C39 | H29 | 67.7° | 71.0° |
| H27 | C38 | C39 | H30 | 51.8° | 49.5° |
| H28 | C38 | C39 | H29 | 52.1° | 49.4° |
| H28 | C38 | C39 | H30 | 171.7° | 169.9° |
