R6W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C16 | sing | 1.37Å | 1.39Å | Aromatic |
| O22 | C3 | sing | 1.36Å | 1.36Å | |
| C17 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.37Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.41Å | 1.41Å | Aromatic |
| C14 | N13 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C11 | sing | 1.47Å | 1.44Å | Aromatic |
| C1 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.52Å | |
| N13 | C12 | sing | 1.37Å | 1.37Å | Aromatic |
| C6 | C9 | sing | 1.47Å | 1.48Å | |
| C11 | C12 | doub | 1.34Å | 1.36Å | Aromatic |
| C11 | C7 | sing | 1.51Å | 1.51Å | |
| C12 | C20 | sing | 1.51Å | 1.51Å | |
| C7 | N8 | sing | 1.47Å | 1.49Å | |
| C9 | N8 | sing | 1.34Å | 1.34Å | |
| C9 | O10 | doub | 1.22Å | 1.23Å | |
| C20 | N21 | sing | 1.47Å | 1.47Å | |
| N21 | C23 | sing | 1.47Å | 1.47Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C28 | N49 | sing | 1.47Å | 1.49Å | |
| O38 | C37 | doub | 1.22Å | 1.23Å | |
| N49 | C48 | sing | 1.47Å | 1.49Å | |
| N36 | C37 | sing | 1.34Å | 1.34Å | |
| N36 | C35 | sing | 1.47Å | 1.49Å | |
| C37 | C34 | sing | 1.47Å | 1.48Å | |
| C48 | C40 | sing | 1.51Å | 1.50Å | |
| C35 | C39 | sing | 1.51Å | 1.52Å | |
| C35 | C33 | sing | 1.51Å | 1.52Å | |
| C34 | C29 | doub | 1.40Å | 1.39Å | Aromatic |
| C34 | C33 | sing | 1.40Å | 1.38Å | Aromatic |
| C40 | C39 | doub | 1.34Å | 1.37Å | Aromatic |
| C40 | N41 | sing | 1.37Å | 1.38Å | Aromatic |
| C39 | C43 | sing | 1.47Å | 1.44Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C32 | doub | 1.37Å | 1.39Å | Aromatic |
| N41 | C42 | sing | 1.38Å | 1.38Å | Aromatic |
| C43 | C42 | doub | 1.41Å | 1.41Å | Aromatic |
| C43 | C44 | sing | 1.40Å | 1.40Å | Aromatic |
| C42 | C45 | sing | 1.39Å | 1.39Å | Aromatic |
| C44 | C47 | doub | 1.37Å | 1.39Å | Aromatic |
| C30 | C31 | doub | 1.39Å | 1.40Å | Aromatic |
| C32 | C31 | sing | 1.39Å | 1.40Å | Aromatic |
| C45 | C46 | doub | 1.38Å | 1.39Å | Aromatic |
| C47 | C46 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | O50 | sing | 1.36Å | 1.37Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.08Å | 1.08Å | |
| C2 | H13 | sing | 1.08Å | 1.08Å | |
| N8 | H14 | sing | 0.97Å | 1.00Å | |
| N13 | H15 | sing | 0.97Å | 1.00Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| N21 | H19 | sing | 1.01Å | 1.00Å | |
| O22 | H21 | sing | 0.97Å | 0.95Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H29 | sing | 1.08Å | 1.08Å | |
| C32 | H30 | sing | 1.08Å | 1.08Å | |
| C35 | H31 | sing | 1.09Å | 1.10Å | |
| N36 | H32 | sing | 0.97Å | 1.00Å | |
| N41 | H33 | sing | 0.97Å | 1.00Å | |
| C44 | H34 | sing | 1.08Å | 1.08Å | |
| C45 | H35 | sing | 1.08Å | 1.08Å | |
| C46 | H36 | sing | 1.08Å | 1.08Å | |
| C47 | H37 | sing | 1.08Å | 1.08Å | |
| C48 | H38 | sing | 1.09Å | 1.10Å | |
| C48 | H39 | sing | 1.09Å | 1.10Å | |
| N49 | H40 | sing | 1.01Å | 1.00Å | |
| O50 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | C17 | 120.8° | 120.7° |
| C18 | C19 | C16 | 120.8° | 120.5° |
| C19 | C18 | H17 | 119.6° | 119.6° |
| C18 | C19 | H18 | 119.6° | 119.8° |
| C18 | C17 | C14 | 118.2° | 119.8° |
| C18 | C17 | H3 | 120.9° | 120.1° |
| C17 | C18 | H17 | 119.6° | 119.7° |
| C19 | C16 | C15 | 119.7° | 119.7° |
| C19 | C16 | H16 | 120.2° | 120.1° |
| C16 | C19 | H18 | 119.6° | 119.7° |
| O22 | C3 | C2 | 119.1° | 119.9° |
| O22 | C3 | C4 | 120.5° | 120.0° |
| C3 | O22 | H21 | 109.5° | 114.0° |
| C17 | C14 | C15 | 121.9° | 119.3° |
| C17 | C14 | N13 | 130.4° | 133.5° |
| C14 | C17 | H3 | 120.9° | 120.1° |
| C16 | C15 | C14 | 118.6° | 120.0° |
| C16 | C15 | C11 | 134.8° | 134.0° |
| C15 | C16 | H16 | 120.1° | 120.2° |
| C2 | C3 | C4 | 120.4° | 120.1° |
| C3 | C2 | C1 | 120.1° | 120.3° |
| C3 | C2 | H13 | 120.0° | 119.9° |
| C3 | C4 | C5 | 118.9° | 119.9° |
| C3 | C4 | H1 | 120.6° | 120.1° |
| C2 | C1 | C6 | 119.6° | 119.9° |
| C2 | C1 | H12 | 120.2° | 120.1° |
| C1 | C2 | H13 | 119.9° | 119.8° |
| C4 | C5 | C6 | 120.7° | 120.4° |
| C4 | C5 | C7 | 129.9° | 133.2° |
| C5 | C4 | H1 | 120.5° | 120.0° |
| C15 | C14 | N13 | 107.7° | 107.1° |
| C14 | C15 | C11 | 106.5° | 106.0° |
| C14 | N13 | C12 | 108.8° | 109.9° |
| C14 | N13 | H15 | 125.6° | 125.1° |
| C15 | C11 | C12 | 107.0° | 107.0° |
| C15 | C11 | C7 | 127.1° | 126.5° |
| C1 | C6 | C5 | 120.3° | 119.5° |
| C1 | C6 | C9 | 130.3° | 132.3° |
| C6 | C1 | H12 | 120.2° | 120.0° |
| C6 | C5 | C7 | 109.4° | 106.4° |
| C5 | C6 | C9 | 109.4° | 108.2° |
| C5 | C7 | C11 | 116.2° | 110.2° |
| C5 | C7 | N8 | 100.7° | 106.2° |
| C5 | C7 | H2 | 110.1° | 110.1° |
| N13 | C12 | C11 | 109.8° | 109.9° |
| N13 | C12 | C20 | 120.9° | 125.0° |
| C12 | N13 | H15 | 125.6° | 125.0° |
| C6 | C9 | N8 | 106.5° | 110.4° |
| C6 | C9 | O10 | 127.2° | 124.8° |
| C12 | C11 | C7 | 125.8° | 126.5° |
| C11 | C12 | C20 | 129.2° | 125.0° |
| C11 | C7 | N8 | 108.8° | 110.1° |
| C11 | C7 | H2 | 110.2° | 110.1° |
| C12 | C20 | N21 | 109.4° | 109.4° |
| C12 | C20 | H4 | 109.5° | 109.5° |
| C12 | C20 | H5 | 109.5° | 109.4° |
| C7 | N8 | C9 | 114.0° | 108.7° |
| N8 | C7 | H2 | 110.5° | 110.1° |
| C7 | N8 | H14 | 123.0° | 125.6° |
| N8 | C9 | O10 | 126.3° | 124.8° |
| C9 | N8 | H14 | 123.0° | 125.6° |
| C20 | N21 | C23 | 112.9° | 110.9° |
| N21 | C20 | H4 | 109.5° | 109.5° |
| N21 | C20 | H5 | 109.5° | 109.5° |
| C20 | N21 | H19 | 108.6° | 111.0° |
| N21 | C23 | C24 | 112.9° | 109.4° |
| C23 | N21 | H19 | 108.6° | 111.0° |
| N21 | C23 | H22 | 108.6° | 109.5° |
| N21 | C23 | H23 | 108.6° | 109.5° |
| C23 | C24 | C25 | 113.3° | 109.5° |
| C23 | C24 | H6 | 108.5° | 109.5° |
| C23 | C24 | H7 | 108.5° | 109.5° |
| C24 | C23 | H22 | 108.6° | 109.5° |
| C24 | C23 | H23 | 108.6° | 109.5° |
| C24 | C25 | C26 | 114.3° | 109.5° |
| C25 | C24 | H6 | 108.5° | 109.5° |
| C25 | C24 | H7 | 108.5° | 109.5° |
| C24 | C25 | H24 | 108.2° | 109.5° |
| C24 | C25 | H25 | 108.3° | 109.5° |
| C25 | C26 | C27 | 114.1° | 109.5° |
| C25 | C26 | H8 | 108.3° | 109.4° |
| C25 | C26 | H9 | 108.3° | 109.5° |
| C26 | C25 | H24 | 108.3° | 109.5° |
| C26 | C25 | H25 | 108.3° | 109.5° |
| C26 | C27 | C28 | 112.8° | 109.4° |
| C27 | C26 | H8 | 108.3° | 109.5° |
| C27 | C26 | H9 | 108.3° | 109.5° |
| C26 | C27 | H26 | 108.6° | 109.5° |
| C26 | C27 | H27 | 108.6° | 109.5° |
| C27 | C28 | N49 | 112.6° | 109.5° |
| C27 | C28 | H10 | 108.7° | 109.5° |
| C27 | C28 | H11 | 108.7° | 109.5° |
| C28 | C27 | H26 | 108.6° | 109.5° |
| C28 | C27 | H27 | 108.6° | 109.5° |
| C28 | N49 | C48 | 113.0° | 111.0° |
| N49 | C28 | H10 | 108.7° | 109.5° |
| N49 | C28 | H11 | 108.7° | 109.4° |
| C28 | N49 | H40 | 108.6° | 111.0° |
| O38 | C37 | N36 | 127.0° | 124.7° |
| O38 | C37 | C34 | 126.6° | 124.8° |
| N49 | C48 | C40 | 110.3° | 109.5° |
| N49 | C48 | H38 | 109.3° | 109.5° |
| N49 | C48 | H39 | 109.3° | 109.5° |
| C48 | N49 | H40 | 108.6° | 111.0° |
| C37 | N36 | C35 | 114.2° | 108.8° |
| N36 | C37 | C34 | 106.4° | 110.4° |
| C37 | N36 | H32 | 122.9° | 125.7° |
| N36 | C35 | C39 | 111.0° | 110.2° |
| N36 | C35 | C33 | 100.7° | 106.2° |
| N36 | C35 | H31 | 109.5° | 110.2° |
| C35 | N36 | H32 | 122.9° | 125.6° |
| C37 | C34 | C29 | 130.3° | 132.3° |
| C37 | C34 | C33 | 109.4° | 108.3° |
| C48 | C40 | C39 | 130.3° | 125.0° |
| C48 | C40 | N41 | 119.8° | 125.1° |
| C40 | C48 | H38 | 109.3° | 109.4° |
| C40 | C48 | H39 | 109.3° | 109.5° |
| C39 | C35 | C33 | 117.2° | 110.1° |
| C35 | C39 | C40 | 126.0° | 126.5° |
| C35 | C39 | C43 | 126.9° | 126.5° |
| C39 | C35 | H31 | 109.1° | 110.1° |
| C35 | C33 | C34 | 109.3° | 106.4° |
| C35 | C33 | C32 | 130.1° | 133.2° |
| C33 | C35 | H31 | 109.1° | 110.1° |
| C29 | C34 | C33 | 120.3° | 119.5° |
| C34 | C29 | C30 | 119.7° | 119.9° |
| C34 | C29 | H28 | 120.2° | 120.1° |
| C34 | C33 | C32 | 120.6° | 120.4° |
| C39 | C40 | N41 | 109.9° | 109.9° |
| C40 | C39 | C43 | 106.9° | 107.0° |
| C40 | N41 | C42 | 108.8° | 109.9° |
| C40 | N41 | H33 | 125.6° | 125.0° |
| C39 | C43 | C42 | 106.7° | 106.0° |
| C39 | C43 | C44 | 134.7° | 134.0° |
| C29 | C30 | C31 | 120.1° | 120.3° |
| C30 | C29 | H28 | 120.2° | 120.0° |
| C29 | C30 | H29 | 120.0° | 119.9° |
| C33 | C32 | C31 | 118.9° | 119.9° |
| C33 | C32 | H30 | 120.6° | 120.0° |
| N41 | C42 | C43 | 107.6° | 107.2° |
| N41 | C42 | C45 | 130.4° | 133.5° |
| C42 | N41 | H33 | 125.6° | 125.1° |
| C42 | C43 | C44 | 118.6° | 120.0° |
| C43 | C42 | C45 | 122.0° | 119.3° |
| C43 | C44 | C47 | 119.6° | 119.7° |
| C43 | C44 | H34 | 120.2° | 120.1° |
| C42 | C45 | C46 | 118.2° | 119.8° |
| C42 | C45 | H35 | 120.9° | 120.1° |
| C44 | C47 | C46 | 120.8° | 120.5° |
| C47 | C44 | H34 | 120.2° | 120.2° |
| C44 | C47 | H37 | 119.6° | 119.7° |
| C30 | C31 | C32 | 120.4° | 120.0° |
| C30 | C31 | O50 | 117.3° | 120.0° |
| C31 | C30 | H29 | 120.0° | 119.9° |
| C32 | C31 | O50 | 122.2° | 120.0° |
| C31 | C32 | H30 | 120.6° | 120.0° |
| C45 | C46 | C47 | 120.8° | 120.6° |
| C46 | C45 | H35 | 120.9° | 120.1° |
| C45 | C46 | H36 | 119.6° | 119.7° |
| C47 | C46 | H36 | 119.6° | 119.7° |
| C46 | C47 | H37 | 119.6° | 119.7° |
| C31 | O50 | H42 | 109.5° | 114.0° |
| H4 | C20 | H5 | 109.5° | 109.5° |
| H6 | C24 | H7 | 109.5° | 109.5° |
| H8 | C26 | H9 | 109.5° | 109.5° |
| H10 | C28 | H11 | 109.5° | 109.5° |
| H22 | C23 | H23 | 109.4° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.4° |
| H26 | C27 | H27 | 109.4° | 109.5° |
| H38 | C48 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | C17 | H17 | 180.0° | 179.6° |
| C18 | C19 | C16 | H18 | 180.0° | 179.6° |
| C19 | C18 | C17 | C14 | 1.7° | 0.5° |
| C18 | C19 | C16 | C15 | 0.8° | 0.0° |
| C19 | C18 | C17 | H3 | 178.3° | 179.7° |
| C18 | C19 | C16 | H16 | 179.2° | 179.9° |
| C17 | C18 | C19 | C16 | 0.8° | 0.4° |
| C18 | C17 | C14 | H3 | 180.0° | 179.7° |
| C18 | C17 | C14 | C15 | 0.9° | 0.2° |
| C18 | C17 | C14 | N13 | 178.7° | 179.8° |
| C17 | C18 | C19 | H18 | 179.1° | 179.9° |
| C19 | C16 | C15 | H16 | 180.0° | 179.9° |
| C19 | C16 | C15 | C14 | 1.5° | 0.3° |
| C19 | C16 | C15 | C11 | 178.2° | 180.0° |
| C16 | C19 | C18 | H17 | 179.1° | 180.0° |
| O22 | C3 | C2 | C4 | 180.0° | 179.5° |
| O22 | C3 | C2 | C1 | 179.9° | 180.0° |
| O22 | C3 | C4 | C5 | 179.5° | 180.0° |
| O22 | C3 | C4 | H1 | 0.5° | 0.3° |
| O22 | C3 | C2 | H13 | 0.1° | 0.2° |
| C17 | C14 | C15 | C16 | 0.7° | 0.2° |
| C17 | C14 | C15 | N13 | 178.2° | 179.9° |
| C17 | C14 | C15 | C11 | 178.3° | 180.0° |
| C17 | C14 | N13 | C12 | 179.7° | 179.9° |
| C17 | C14 | N13 | H15 | 0.3° | 0.1° |
| C14 | C17 | C18 | H17 | 178.3° | 179.9° |
| C16 | C15 | C14 | C11 | 177.6° | 179.8° |
| C16 | C15 | C14 | N13 | 177.5° | 179.8° |
| C16 | C15 | C11 | C12 | 179.2° | 179.7° |
| C16 | C15 | C11 | C7 | 5.2° | 0.2° |
| C15 | C16 | C19 | H18 | 179.2° | 179.7° |
| C3 | C2 | C1 | H13 | 180.0° | 179.8° |
| C2 | C3 | C4 | C5 | 0.4° | 0.5° |
| C3 | C2 | C1 | C6 | 0.0° | 0.3° |
| C2 | C3 | C4 | H1 | 179.6° | 179.8° |
| C3 | C2 | C1 | H12 | 180.0° | 179.7° |
| C2 | C3 | O22 | H21 | 180.0° | 90.0° |
| C4 | C3 | C2 | C1 | 0.1° | 0.5° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 1.1° | 0.3° |
| C3 | C4 | C5 | C7 | 179.2° | 179.7° |
| C4 | C3 | C2 | H13 | 179.9° | 179.7° |
| C4 | C3 | O22 | H21 | 0.1° | 90.5° |
| C2 | C1 | C6 | H12 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.7° | 0.0° |
| C2 | C1 | C6 | C9 | 178.1° | 180.0° |
| C4 | C5 | C6 | C1 | 1.3° | 0.0° |
| C4 | C5 | C6 | C7 | 179.7° | 180.0° |
| C4 | C5 | C6 | C9 | 179.2° | 180.0° |
| C4 | C5 | C7 | C11 | 63.2° | 60.8° |
| C4 | C5 | C7 | N8 | 179.6° | 180.0° |
| C4 | C5 | C7 | H2 | 62.9° | 60.9° |
| C15 | C14 | N13 | C12 | 2.3° | 0.0° |
| C14 | C15 | C11 | C12 | 2.2° | 0.1° |
| C14 | C15 | C11 | C7 | 177.9° | 180.0° |
| C15 | C14 | C17 | H3 | 179.1° | 180.0° |
| C15 | C14 | N13 | H15 | 177.7° | 180.0° |
| C14 | C15 | C16 | H16 | 178.5° | 179.7° |
| N13 | C14 | C15 | C11 | 0.0° | 0.0° |
| C14 | N13 | C12 | H15 | 180.0° | 180.0° |
| C14 | N13 | C12 | C11 | 3.8° | 0.0° |
| C14 | N13 | C12 | C20 | 178.1° | 179.9° |
| N13 | C14 | C17 | H3 | 1.3° | 0.1° |
| C15 | C11 | C7 | C5 | 35.4° | 72.4° |
| C15 | C11 | C12 | N13 | 3.7° | 0.0° |
| C15 | C11 | C12 | C7 | 175.7° | 180.0° |
| C15 | C11 | C12 | C20 | 178.4° | 179.9° |
| C15 | C11 | C7 | N8 | 77.2° | 44.4° |
| C15 | C11 | C7 | H2 | 161.5° | 165.9° |
| C11 | C15 | C16 | H16 | 1.8° | 0.1° |
| C1 | C6 | C5 | C9 | 177.8° | 180.0° |
| C1 | C6 | C5 | C7 | 179.0° | 180.0° |
| C1 | C6 | C9 | N8 | 178.6° | 180.0° |
| C1 | C6 | C9 | O10 | 1.5° | 0.0° |
| C6 | C1 | C2 | H13 | 180.0° | 179.9° |
| C6 | C5 | C7 | C11 | 116.5° | 119.2° |
| C6 | C5 | C7 | N8 | 0.7° | 0.0° |
| C5 | C6 | C9 | N8 | 1.1° | 0.0° |
| C5 | C6 | C9 | O10 | 179.1° | 180.0° |
| C6 | C5 | C4 | H1 | 178.9° | 180.0° |
| C6 | C5 | C7 | H2 | 117.4° | 119.2° |
| C5 | C6 | C1 | H12 | 179.3° | 180.0° |
| C7 | C5 | C6 | C9 | 1.1° | 0.0° |
| C5 | C7 | C11 | C12 | 149.7° | 107.5° |
| C5 | C7 | C11 | N8 | 112.7° | 116.8° |
| C5 | C7 | C11 | H2 | 126.1° | 121.6° |
| C5 | C7 | N8 | H2 | 116.4° | 119.2° |
| C5 | C7 | N8 | C9 | 0.1° | 0.0° |
| C7 | C5 | C4 | H1 | 0.8° | 0.0° |
| C5 | C7 | N8 | H14 | 179.9° | 179.9° |
| N13 | C12 | C11 | C20 | 177.9° | 179.9° |
| N13 | C12 | C11 | C7 | 179.4° | 180.0° |
| N13 | C12 | C20 | N21 | 75.0° | 100.6° |
| N13 | C12 | C20 | H4 | 165.0° | 19.4° |
| N13 | C12 | C20 | H5 | 45.0° | 139.4° |
| C6 | C9 | N8 | C7 | 0.6° | 0.0° |
| C6 | C9 | N8 | O10 | 179.9° | 180.0° |
| C9 | C6 | C1 | H12 | 2.0° | 0.0° |
| C6 | C9 | N8 | H14 | 179.4° | 179.9° |
| C12 | C11 | C7 | N8 | 97.6° | 135.7° |
| C11 | C12 | C20 | N21 | 107.3° | 79.5° |
| C12 | C11 | C7 | H2 | 23.6° | 14.1° |
| C11 | C12 | C20 | H4 | 12.7° | 160.5° |
| C11 | C12 | C20 | H5 | 132.7° | 40.4° |
| C11 | C12 | N13 | H15 | 176.2° | 179.9° |
| C7 | C11 | C12 | C20 | 2.7° | 0.1° |
| C11 | C7 | N8 | H2 | 121.1° | 121.6° |
| C11 | C7 | N8 | C9 | 122.5° | 119.2° |
| C11 | C7 | N8 | H14 | 57.5° | 60.8° |
| C12 | C20 | N21 | H4 | 120.0° | 120.0° |
| C12 | C20 | N21 | H5 | 120.0° | 119.9° |
| C12 | C20 | N21 | C23 | 173.2° | 173.8° |
| C12 | C20 | H4 | H5 | 120.0° | 120.0° |
| C20 | C12 | N13 | H15 | 1.9° | 0.1° |
| C12 | C20 | N21 | H19 | 52.7° | 62.2° |
| C7 | N8 | C9 | H14 | 180.0° | 179.9° |
| C7 | N8 | C9 | O10 | 179.5° | 180.0° |
| C9 | N8 | C7 | H2 | 116.4° | 119.2° |
| O10 | C9 | N8 | H14 | 0.4° | 0.1° |
| C20 | N21 | C23 | H19 | 120.5° | 124.0° |
| C20 | N21 | C23 | C24 | 168.8° | 180.0° |
| N21 | C20 | H4 | H5 | 120.0° | 120.1° |
| C20 | N21 | C23 | H22 | 48.3° | 60.0° |
| C20 | N21 | C23 | H23 | 70.7° | 60.0° |
| N21 | C23 | C24 | H22 | 120.5° | 120.0° |
| N21 | C23 | C24 | H23 | 120.5° | 119.9° |
| N21 | C23 | C24 | C25 | 76.5° | 180.0° |
| C23 | N21 | C20 | H4 | 66.8° | 53.8° |
| C23 | N21 | C20 | H5 | 53.2° | 66.3° |
| N21 | C23 | C24 | H6 | 44.1° | 60.0° |
| N21 | C23 | C24 | H7 | 162.9° | 60.0° |
| N21 | C23 | H22 | H23 | 118.4° | 120.0° |
| C23 | C24 | C25 | H6 | 120.6° | 120.0° |
| C23 | C24 | C25 | H7 | 120.6° | 120.0° |
| C23 | C24 | C25 | C26 | 160.7° | 180.0° |
| C23 | C24 | H6 | H7 | 118.2° | 120.0° |
| C24 | C23 | N21 | H19 | 70.7° | 56.1° |
| C24 | C23 | H22 | H23 | 118.4° | 120.0° |
| C23 | C24 | C25 | H24 | 40.0° | 60.0° |
| C23 | C24 | C25 | H25 | 78.6° | 60.0° |
| C24 | C25 | C26 | H24 | 120.7° | 120.0° |
| C24 | C25 | C26 | H25 | 120.7° | 120.0° |
| C24 | C25 | C26 | C27 | 177.6° | 180.0° |
| C25 | C24 | H6 | H7 | 118.2° | 120.0° |
| C24 | C25 | C26 | H8 | 56.9° | 60.0° |
| C24 | C25 | C26 | H9 | 61.8° | 60.0° |
| C25 | C24 | C23 | H22 | 163.0° | 60.0° |
| C25 | C24 | C23 | H23 | 44.0° | 60.1° |
| C24 | C25 | H24 | H25 | 117.8° | 120.0° |
| C25 | C26 | C27 | H8 | 120.7° | 119.9° |
| C25 | C26 | C27 | H9 | 120.7° | 120.0° |
| C25 | C26 | C27 | C28 | 164.9° | 180.0° |
| C26 | C25 | C24 | H6 | 78.8° | 60.0° |
| C26 | C25 | C24 | H7 | 40.1° | 60.0° |
| C25 | C26 | H8 | H9 | 117.9° | 119.9° |
| C26 | C25 | H24 | H25 | 117.8° | 120.0° |
| C25 | C26 | C27 | H26 | 44.4° | 60.0° |
| C25 | C26 | C27 | H27 | 74.6° | 60.0° |
| C26 | C27 | C28 | H26 | 120.5° | 120.0° |
| C26 | C27 | C28 | H27 | 120.5° | 120.0° |
| C26 | C27 | C28 | N49 | 77.5° | 180.0° |
| C27 | C26 | H8 | H9 | 117.9° | 120.1° |
| C26 | C27 | C28 | H10 | 42.9° | 60.0° |
| C26 | C27 | C28 | H11 | 162.0° | 60.0° |
| C27 | C26 | C25 | H24 | 61.7° | 60.0° |
| C27 | C26 | C25 | H25 | 56.8° | 60.0° |
| C26 | C27 | H26 | H27 | 118.5° | 120.0° |
| C27 | C28 | N49 | H10 | 120.5° | 120.1° |
| C27 | C28 | N49 | H11 | 120.5° | 120.0° |
| C27 | C28 | N49 | C48 | 176.9° | 180.0° |
| C28 | C27 | C26 | H8 | 74.4° | 60.0° |
| C28 | C27 | C26 | H9 | 44.2° | 60.0° |
| C27 | C28 | H10 | H11 | 118.6° | 120.0° |
| C28 | C27 | H26 | H27 | 118.5° | 120.0° |
| C27 | C28 | N49 | H40 | 56.4° | 56.1° |
| C28 | N49 | C48 | H40 | 120.5° | 123.9° |
| C28 | N49 | C48 | C40 | 176.8° | 180.0° |
| N49 | C28 | H10 | H11 | 118.5° | 120.0° |
| N49 | C28 | C27 | H26 | 162.0° | 60.0° |
| N49 | C28 | C27 | H27 | 43.0° | 60.1° |
| C28 | N49 | C48 | H38 | 63.1° | 60.0° |
| C28 | N49 | C48 | H39 | 56.7° | 60.0° |
| O38 | C37 | N36 | C34 | 178.7° | 179.8° |
| O38 | C37 | N36 | C35 | 179.5° | 179.9° |
| O38 | C37 | C34 | C29 | 0.4° | 0.4° |
| O38 | C37 | C34 | C33 | 178.6° | 179.9° |
| O38 | C37 | N36 | H32 | 0.5° | 0.1° |
| N49 | C48 | C40 | H38 | 120.1° | 120.0° |
| N49 | C48 | C40 | H39 | 120.1° | 120.0° |
| N49 | C48 | C40 | C39 | 107.6° | 80.0° |
| N49 | C48 | C40 | N41 | 73.4° | 100.1° |
| C48 | N49 | C28 | H10 | 62.5° | 60.0° |
| C48 | N49 | C28 | H11 | 56.5° | 60.0° |
| N49 | C48 | H38 | H39 | 119.6° | 120.0° |
| C37 | N36 | C35 | H32 | 180.0° | 179.8° |
| C37 | N36 | C35 | C39 | 123.5° | 118.9° |
| C37 | N36 | C35 | C33 | 1.2° | 0.3° |
| N36 | C37 | C34 | C29 | 179.1° | 179.4° |
| N36 | C37 | C34 | C33 | 0.1° | 0.1° |
| C37 | N36 | C35 | H31 | 116.0° | 119.5° |
| C35 | N36 | C37 | C34 | 0.8° | 0.3° |
| N36 | C35 | C39 | C33 | 114.8° | 116.8° |
| N36 | C35 | C39 | H31 | 120.7° | 121.6° |
| N36 | C35 | C33 | H31 | 115.2° | 119.2° |
| N36 | C35 | C33 | C34 | 1.2° | 0.3° |
| N36 | C35 | C39 | C40 | 96.0° | 138.5° |
| N36 | C35 | C39 | C43 | 79.3° | 41.8° |
| N36 | C35 | C33 | C32 | 180.0° | 180.0° |
| C37 | C34 | C33 | C35 | 0.8° | 0.1° |
| C37 | C34 | C29 | C33 | 179.0° | 179.4° |
| C37 | C34 | C29 | C30 | 179.9° | 180.0° |
| C37 | C34 | C33 | C32 | 179.8° | 179.9° |
| C37 | C34 | C29 | H28 | 0.1° | 0.3° |
| C34 | C37 | N36 | H32 | 179.2° | 180.0° |
| C48 | C40 | C39 | C35 | 2.2° | 0.0° |
| C48 | C40 | C39 | N41 | 179.1° | 179.9° |
| C48 | C40 | C39 | C43 | 178.2° | 179.8° |
| C48 | C40 | N41 | C42 | 178.4° | 180.0° |
| C48 | C40 | N41 | H33 | 1.6° | 0.1° |
| C40 | C48 | H38 | H39 | 119.6° | 120.0° |
| C40 | C48 | N49 | H40 | 56.3° | 56.1° |
| C39 | C35 | C33 | H31 | 124.5° | 121.5° |
| C39 | C35 | C33 | C34 | 119.2° | 119.0° |
| C35 | C39 | C40 | C43 | 176.0° | 179.7° |
| C35 | C39 | C40 | N41 | 178.7° | 180.0° |
| C39 | C35 | C33 | C32 | 59.6° | 60.8° |
| C35 | C39 | C43 | C42 | 177.9° | 179.8° |
| C35 | C39 | C43 | C44 | 2.8° | 0.0° |
| C39 | C35 | N36 | H32 | 56.5° | 60.9° |
| C35 | C33 | C34 | C29 | 180.0° | 179.7° |
| C35 | C33 | C34 | C32 | 179.0° | 179.8° |
| C33 | C35 | C39 | C40 | 149.2° | 104.7° |
| C33 | C35 | C39 | C43 | 35.5° | 75.0° |
| C35 | C33 | C32 | C31 | 178.3° | 180.0° |
| C35 | C33 | C32 | H30 | 1.7° | 0.1° |
| C33 | C35 | N36 | H32 | 178.8° | 179.9° |
| C34 | C29 | C30 | H28 | 180.0° | 179.7° |
| C29 | C34 | C33 | C32 | 1.0° | 0.5° |
| C34 | C29 | C30 | C31 | 0.2° | 0.2° |
| C34 | C29 | C30 | H29 | 179.8° | 179.7° |
| C33 | C34 | C29 | C30 | 1.2° | 0.5° |
| C34 | C33 | C32 | C31 | 0.4° | 0.3° |
| C33 | C34 | C29 | H28 | 178.8° | 179.8° |
| C34 | C33 | C32 | H30 | 179.6° | 179.8° |
| C34 | C33 | C35 | H31 | 116.4° | 119.5° |
| C39 | C40 | N41 | C42 | 2.4° | 0.1° |
| C40 | C39 | C43 | C42 | 1.9° | 0.4° |
| C40 | C39 | C43 | C44 | 178.7° | 179.7° |
| C40 | C39 | C35 | H31 | 24.8° | 16.9° |
| C39 | C40 | N41 | H33 | 177.6° | 180.0° |
| C39 | C40 | C48 | H38 | 132.3° | 160.0° |
| C39 | C40 | C48 | H39 | 12.5° | 40.0° |
| N41 | C40 | C39 | C43 | 2.6° | 0.3° |
| C40 | N41 | C42 | H33 | 180.0° | 179.9° |
| C40 | N41 | C42 | C43 | 1.2° | 0.2° |
| C40 | N41 | C42 | C45 | 178.3° | 180.0° |
| N41 | C40 | C48 | H38 | 46.8° | 19.9° |
| N41 | C40 | C48 | H39 | 166.5° | 139.9° |
| C39 | C43 | C42 | N41 | 0.5° | 0.4° |
| C39 | C43 | C42 | C44 | 179.5° | 179.9° |
| C39 | C43 | C42 | C45 | 180.0° | 179.8° |
| C39 | C43 | C44 | C47 | 179.2° | 180.0° |
| C43 | C39 | C35 | H31 | 160.0° | 163.4° |
| C39 | C43 | C44 | H34 | 0.8° | 0.1° |
| C29 | C30 | C31 | H29 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 1.6° | 0.0° |
| C29 | C30 | C31 | O50 | 179.8° | 180.0° |
| C33 | C32 | C31 | C30 | 1.7° | 0.0° |
| C33 | C32 | C31 | H30 | 180.0° | 179.9° |
| C33 | C32 | C31 | O50 | 179.8° | 179.9° |
| C32 | C33 | C35 | H31 | 64.8° | 60.8° |
| N41 | C42 | C43 | C45 | 179.6° | 179.8° |
| N41 | C42 | C43 | C44 | 179.9° | 179.8° |
| N41 | C42 | C45 | C46 | 179.3° | 180.0° |
| N41 | C42 | C45 | H35 | 0.7° | 0.0° |
| C42 | C43 | C44 | C47 | 0.1° | 0.2° |
| C43 | C42 | C45 | C46 | 1.2° | 0.2° |
| C43 | C42 | N41 | H33 | 178.8° | 179.7° |
| C42 | C43 | C44 | H34 | 179.8° | 179.9° |
| C43 | C42 | C45 | H35 | 178.8° | 179.8° |
| C44 | C43 | C42 | C45 | 0.5° | 0.1° |
| C43 | C44 | C47 | H34 | 180.0° | 179.9° |
| C43 | C44 | C47 | C46 | 0.0° | 0.8° |
| C43 | C44 | C47 | H37 | 180.0° | 180.0° |
| C42 | C45 | C46 | H35 | 180.0° | 180.0° |
| C42 | C45 | C46 | C47 | 1.3° | 0.8° |
| C45 | C42 | N41 | H33 | 1.7° | 0.1° |
| C42 | C45 | C46 | H36 | 178.7° | 180.0° |
| C44 | C47 | C46 | C45 | 0.7° | 1.1° |
| C44 | C47 | C46 | H37 | 180.0° | 179.3° |
| C44 | C47 | C46 | H36 | 179.3° | 179.7° |
| C30 | C31 | C32 | O50 | 178.1° | 179.9° |
| C31 | C30 | C29 | H28 | 179.9° | 180.0° |
| C30 | C31 | C32 | H30 | 178.3° | 179.9° |
| C30 | C31 | O50 | H42 | 180.0° | 90.1° |
| C32 | C31 | C30 | H29 | 178.4° | 180.0° |
| C32 | C31 | O50 | H42 | 1.9° | 90.0° |
| C45 | C46 | C47 | H36 | 180.0° | 179.2° |
| C45 | C46 | C47 | H37 | 179.3° | 179.6° |
| C46 | C47 | C44 | H34 | 179.9° | 179.3° |
| C47 | C46 | C45 | H35 | 178.7° | 179.2° |
| O50 | C31 | C30 | H29 | 0.2° | 0.1° |
| O50 | C31 | C32 | H30 | 0.2° | 0.0° |
| H2 | C7 | N8 | H14 | 63.5° | 60.8° |
| H3 | C17 | C18 | H17 | 1.7° | 0.1° |
| H4 | C20 | N21 | H19 | 172.7° | 177.8° |
| H5 | C20 | N21 | H19 | 67.3° | 57.7° |
| H6 | C24 | C23 | H22 | 76.4° | 60.0° |
| H6 | C24 | C23 | H23 | 164.6° | 179.9° |
| H6 | C24 | C25 | H24 | 160.5° | 180.0° |
| H6 | C24 | C25 | H25 | 42.0° | 60.0° |
| H7 | C24 | C23 | H22 | 42.4° | 180.0° |
| H7 | C24 | C23 | H23 | 76.6° | 60.0° |
| H7 | C24 | C25 | H24 | 80.6° | 60.0° |
| H7 | C24 | C25 | H25 | 160.8° | 180.0° |
| H8 | C26 | C25 | H24 | 177.6° | 180.0° |
| H8 | C26 | C25 | H25 | 63.9° | 60.0° |
| H8 | C26 | C27 | H26 | 165.1° | 180.0° |
| H8 | C26 | C27 | H27 | 46.1° | 59.9° |
| H9 | C26 | C25 | H24 | 58.9° | 60.0° |
| H9 | C26 | C25 | H25 | 177.5° | NaN° |
| H9 | C26 | C27 | H26 | 76.3° | 60.0° |
| H9 | C26 | C27 | H27 | 164.7° | 180.0° |
| H10 | C28 | C27 | H26 | 77.6° | 180.0° |
| H10 | C28 | C27 | H27 | 163.5° | 60.0° |
| H10 | C28 | N49 | H40 | 176.9° | 176.1° |
| H11 | C28 | C27 | H26 | 41.5° | 59.9° |
| H11 | C28 | C27 | H27 | 77.5° | 180.0° |
| H11 | C28 | N49 | H40 | 64.0° | 63.9° |
| H12 | C1 | C2 | H13 | 0.0° | 0.0° |
| H16 | C16 | C19 | H18 | 0.8° | 0.4° |
| H17 | C18 | C19 | H18 | 0.9° | 0.4° |
| H19 | N21 | C23 | H22 | 168.7° | 64.0° |
| H19 | N21 | C23 | H23 | 49.8° | 176.0° |
| H28 | C29 | C30 | H29 | 0.2° | 0.0° |
| H31 | C35 | N36 | H32 | 63.9° | 60.7° |
| H34 | C44 | C47 | H37 | 0.0° | 0.0° |
| H35 | C45 | C46 | H36 | 1.3° | 0.0° |
| H36 | C46 | C47 | H37 | 0.7° | 0.4° |
| H38 | C48 | N49 | H40 | 176.4° | 63.9° |
| H39 | C48 | N49 | H40 | 63.8° | 176.1° |
