7XH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O16 | S14 | doub | 1.42Å | 1.43Å | |
| C53 | C51 | sing | 1.53Å | 1.52Å | |
| O15 | S14 | doub | 1.42Å | 1.44Å | |
| N17 | S14 | sing | 1.66Å | 1.62Å | |
| N17 | C19 | sing | 1.39Å | 1.41Å | |
| S14 | C13 | sing | 1.76Å | 1.79Å | |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C45 | C48 | sing | 1.53Å | 1.51Å | |
| C45 | N44 | sing | 1.47Å | 1.47Å | |
| C26 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C51 | N44 | sing | 1.47Å | 1.49Å | |
| C51 | C57 | sing | 1.53Å | 1.53Å | |
| O05 | C01 | sing | 1.43Å | 1.44Å | |
| O05 | C06 | sing | 1.36Å | 1.36Å | |
| C48 | N37 | sing | 1.47Å | 1.47Å | |
| N44 | C41 | sing | 1.47Å | 1.50Å | |
| C22 | N24 | doub | 1.32Å | 1.34Å | Aromatic |
| C13 | C06 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | N24 | sing | 1.33Å | 1.35Å | Aromatic |
| C25 | C28 | sing | 1.48Å | 1.49Å | |
| C29 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C31 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | N07 | sing | 1.32Å | 1.32Å | Aromatic |
| C28 | C63 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| N37 | C38 | sing | 1.47Å | 1.46Å | |
| N37 | C34 | sing | 1.47Å | 1.47Å | |
| C63 | C61 | sing | 1.38Å | 1.37Å | Aromatic |
| C63 | F64 | sing | 1.35Å | 1.35Å | |
| C33 | C61 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.51Å | 1.51Å | |
| C41 | C38 | sing | 1.53Å | 1.51Å | |
| N07 | C08 | doub | 1.32Å | 1.33Å | Aromatic |
| C10 | C08 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | N65 | sing | 1.40Å | 1.39Å | |
| C66 | N65 | sing | 1.47Å | 1.47Å | |
| C66 | C69 | sing | 1.53Å | 1.51Å | |
| N65 | C76 | sing | 1.47Å | 1.48Å | |
| C76 | C73 | sing | 1.53Å | 1.51Å | |
| C69 | O72 | sing | 1.43Å | 1.43Å | |
| O72 | C73 | sing | 1.43Å | 1.42Å | |
| C20 | H1 | sing | 1.08Å | 1.08Å | |
| C22 | H2 | sing | 1.08Å | 1.08Å | |
| C26 | H3 | sing | 1.08Å | 1.08Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| N17 | H9 | sing | 0.97Å | 1.00Å | |
| C29 | H10 | sing | 1.08Å | 1.08Å | |
| C31 | H11 | sing | 1.08Å | 1.08Å | |
| C34 | H12 | sing | 1.09Å | 1.10Å | |
| C34 | H13 | sing | 1.09Å | 1.10Å | |
| C38 | H15 | sing | 1.09Å | 1.10Å | |
| C38 | H16 | sing | 1.09Å | 1.10Å | |
| C41 | H17 | sing | 1.09Å | 1.10Å | |
| C41 | H18 | sing | 1.09Å | 1.10Å | |
| C45 | H20 | sing | 1.09Å | 1.10Å | |
| C45 | H21 | sing | 1.09Å | 1.10Å | |
| C48 | H22 | sing | 1.09Å | 1.10Å | |
| C48 | H23 | sing | 1.09Å | 1.10Å | |
| C51 | H24 | sing | 1.09Å | 1.10Å | |
| C53 | H25 | sing | 1.09Å | 1.10Å | |
| C53 | H26 | sing | 1.09Å | 1.10Å | |
| C53 | H27 | sing | 1.09Å | 1.10Å | |
| C57 | H28 | sing | 1.09Å | 1.10Å | |
| C57 | H29 | sing | 1.09Å | 1.10Å | |
| C57 | H30 | sing | 1.09Å | 1.10Å | |
| C61 | H31 | sing | 1.08Å | 1.08Å | |
| C66 | H32 | sing | 1.09Å | 1.10Å | |
| C66 | H33 | sing | 1.09Å | 1.10Å | |
| C69 | H34 | sing | 1.09Å | 1.10Å | |
| C69 | H35 | sing | 1.09Å | 1.10Å | |
| C73 | H36 | sing | 1.09Å | 1.10Å | |
| C73 | H37 | sing | 1.09Å | 1.10Å | |
| C76 | H38 | sing | 1.09Å | 1.10Å | |
| C76 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O16 | S14 | O15 | 118.8° | 123.1° |
| O16 | S14 | N17 | 103.5° | 106.4° |
| O16 | S14 | C13 | 108.3° | 106.4° |
| C53 | C51 | N44 | 112.1° | 109.4° |
| C53 | C51 | C57 | 111.1° | 109.5° |
| C53 | C51 | H24 | 107.2° | 109.5° |
| C51 | C53 | H25 | 109.5° | 109.4° |
| C51 | C53 | H26 | 109.5° | 109.5° |
| C51 | C53 | H27 | 109.5° | 109.5° |
| O15 | S14 | N17 | 111.1° | 106.4° |
| O15 | S14 | C13 | 108.6° | 106.4° |
| S14 | N17 | C19 | 126.1° | 120.0° |
| N17 | S14 | C13 | 105.8° | 107.2° |
| S14 | N17 | H9 | 105.2° | 120.0° |
| N17 | C19 | C20 | 119.7° | 120.8° |
| N17 | C19 | C26 | 120.4° | 120.8° |
| C19 | N17 | H9 | 105.2° | 120.0° |
| S14 | C13 | C06 | 121.4° | 120.4° |
| S14 | C13 | C11 | 118.8° | 120.4° |
| C20 | C19 | C26 | 119.8° | 118.4° |
| C19 | C20 | C22 | 117.6° | 119.3° |
| C19 | C20 | H1 | 121.2° | 120.4° |
| C19 | C26 | C25 | 118.6° | 119.0° |
| C19 | C26 | H3 | 120.7° | 120.5° |
| C20 | C22 | N24 | 123.9° | 120.9° |
| C22 | C20 | H1 | 121.2° | 120.3° |
| C20 | C22 | H2 | 118.1° | 119.5° |
| C48 | C45 | N44 | 111.6° | 109.3° |
| C45 | C48 | N37 | 110.4° | 109.4° |
| C48 | C45 | H20 | 109.0° | 109.5° |
| C48 | C45 | H21 | 108.9° | 109.5° |
| C45 | C48 | H22 | 109.3° | 109.5° |
| C45 | C48 | H23 | 109.3° | 109.5° |
| C45 | N44 | C51 | 112.8° | 111.0° |
| C45 | N44 | C41 | 112.0° | 110.9° |
| N44 | C45 | H20 | 108.9° | 109.5° |
| N44 | C45 | H21 | 108.9° | 109.5° |
| C26 | C25 | N24 | 122.1° | 120.6° |
| C26 | C25 | C28 | 121.5° | 119.7° |
| C25 | C26 | H3 | 120.7° | 120.5° |
| N44 | C51 | C57 | 111.5° | 109.5° |
| C51 | N44 | C41 | 111.3° | 111.0° |
| N44 | C51 | H24 | 107.5° | 109.4° |
| C57 | C51 | H24 | 107.1° | 109.5° |
| C51 | C57 | H28 | 109.5° | 109.5° |
| C51 | C57 | H29 | 109.5° | 109.5° |
| C51 | C57 | H30 | 109.4° | 109.4° |
| C01 | O05 | C06 | 117.9° | 117.0° |
| O05 | C01 | H4 | 109.5° | 109.5° |
| O05 | C01 | H5 | 109.5° | 109.5° |
| O05 | C01 | H6 | 109.4° | 109.4° |
| O05 | C06 | C13 | 116.8° | 119.6° |
| O05 | C06 | N07 | 121.5° | 119.6° |
| C48 | N37 | C38 | 109.2° | 110.9° |
| C48 | N37 | C34 | 111.4° | 111.0° |
| N37 | C48 | H22 | 109.2° | 109.5° |
| N37 | C48 | H23 | 109.2° | 109.5° |
| N44 | C41 | C38 | 112.1° | 109.4° |
| N44 | C41 | H17 | 108.8° | 109.5° |
| N44 | C41 | H18 | 108.8° | 109.4° |
| C22 | N24 | C25 | 117.9° | 121.8° |
| N24 | C22 | H2 | 118.0° | 119.6° |
| C06 | C13 | C11 | 119.8° | 119.2° |
| C13 | C06 | N07 | 121.7° | 120.8° |
| C13 | C11 | C10 | 117.6° | 118.4° |
| C13 | C11 | H8 | 121.2° | 120.8° |
| N24 | C25 | C28 | 116.1° | 119.7° |
| C25 | C28 | C29 | 119.7° | 120.1° |
| C25 | C28 | C63 | 123.8° | 120.1° |
| C31 | C29 | C28 | 120.8° | 119.9° |
| C29 | C31 | C33 | 121.3° | 120.2° |
| C31 | C29 | H10 | 119.6° | 120.0° |
| C29 | C31 | H11 | 119.4° | 119.9° |
| C29 | C28 | C63 | 116.4° | 119.7° |
| C28 | C29 | H10 | 119.6° | 120.1° |
| C31 | C33 | C61 | 118.6° | 120.3° |
| C31 | C33 | C34 | 121.0° | 119.9° |
| C33 | C31 | H11 | 119.3° | 119.9° |
| C06 | N07 | C08 | 118.6° | 121.8° |
| C28 | C63 | C61 | 123.6° | 119.8° |
| C28 | C63 | F64 | 118.7° | 120.1° |
| C11 | C10 | C08 | 118.1° | 119.1° |
| C11 | C10 | N65 | 122.1° | 120.4° |
| C10 | C11 | H8 | 121.2° | 120.8° |
| C38 | N37 | C34 | 111.1° | 111.0° |
| N37 | C38 | C41 | 110.1° | 109.4° |
| N37 | C38 | H15 | 109.3° | 109.5° |
| N37 | C38 | H16 | 109.3° | 109.5° |
| N37 | C34 | C33 | 112.9° | 109.5° |
| N37 | C34 | H12 | 108.6° | 109.6° |
| N37 | C34 | H13 | 108.6° | 109.5° |
| C61 | C63 | F64 | 117.5° | 120.1° |
| C63 | C61 | C33 | 119.3° | 120.1° |
| C63 | C61 | H31 | 120.4° | 119.9° |
| C61 | C33 | C34 | 120.4° | 119.8° |
| C33 | C61 | H31 | 120.3° | 120.0° |
| C33 | C34 | H12 | 108.6° | 109.4° |
| C33 | C34 | H13 | 108.6° | 109.4° |
| C41 | C38 | H15 | 109.3° | 109.5° |
| C41 | C38 | H16 | 109.3° | 109.5° |
| C38 | C41 | H17 | 108.8° | 109.5° |
| C38 | C41 | H18 | 108.8° | 109.5° |
| N07 | C08 | C10 | 124.0° | 120.7° |
| N07 | C08 | H7 | 118.0° | 119.7° |
| C08 | C10 | N65 | 119.5° | 120.5° |
| C10 | C08 | H7 | 118.0° | 119.6° |
| C10 | N65 | C66 | 119.0° | 111.0° |
| C10 | N65 | C76 | 114.8° | 111.0° |
| N65 | C66 | C69 | 111.2° | 109.3° |
| C66 | N65 | C76 | 113.6° | 110.8° |
| N65 | C66 | H32 | 109.0° | 109.5° |
| N65 | C66 | H33 | 109.0° | 109.5° |
| C66 | C69 | O72 | 112.0° | 109.3° |
| C69 | C66 | H32 | 109.0° | 109.5° |
| C69 | C66 | H33 | 109.0° | 109.5° |
| C66 | C69 | H34 | 108.8° | 109.5° |
| C66 | C69 | H35 | 108.9° | 109.5° |
| N65 | C76 | C73 | 109.9° | 109.3° |
| N65 | C76 | H38 | 109.3° | 109.6° |
| N65 | C76 | H39 | 109.4° | 109.5° |
| C76 | C73 | O72 | 110.8° | 109.2° |
| C76 | C73 | H36 | 109.1° | 109.5° |
| C76 | C73 | H37 | 109.1° | 109.6° |
| C73 | C76 | H38 | 109.4° | 109.5° |
| C73 | C76 | H39 | 109.4° | 109.4° |
| C69 | O72 | C73 | 110.1° | 113.8° |
| O72 | C69 | H34 | 108.8° | 109.5° |
| O72 | C69 | H35 | 108.8° | 109.5° |
| O72 | C73 | H36 | 109.1° | 109.5° |
| O72 | C73 | H37 | 109.2° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H12 | C34 | H13 | 109.5° | 109.4° |
| H15 | C38 | H16 | 109.5° | 109.5° |
| H17 | C41 | H18 | 109.5° | 109.5° |
| H20 | C45 | H21 | 109.5° | 109.5° |
| H22 | C48 | H23 | 109.5° | 109.5° |
| H25 | C53 | H26 | 109.4° | 109.4° |
| H25 | C53 | H27 | 109.5° | 109.5° |
| H26 | C53 | H27 | 109.5° | 109.5° |
| H28 | C57 | H29 | 109.5° | 109.5° |
| H28 | C57 | H30 | 109.5° | 109.5° |
| H29 | C57 | H30 | 109.5° | 109.5° |
| H32 | C66 | H33 | 109.5° | 109.5° |
| H34 | C69 | H35 | 109.5° | 109.5° |
| H36 | C73 | H37 | 109.5° | 109.5° |
| H38 | C76 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | S14 | O15 | N17 | 119.9° | 122.9° |
| O16 | S14 | O15 | C13 | 124.1° | 123.0° |
| O16 | S14 | N17 | C13 | 113.8° | 113.6° |
| O16 | S14 | N17 | C19 | 177.8° | 178.6° |
| O16 | S14 | C13 | C06 | 48.3° | 178.5° |
| O16 | S14 | C13 | C11 | 134.9° | 1.7° |
| O16 | S14 | N17 | H9 | 60.0° | 1.5° |
| C53 | C51 | N44 | C45 | 52.5° | 176.2° |
| C53 | C51 | N44 | C57 | 125.3° | 120.0° |
| C53 | C51 | N44 | H24 | 117.5° | 120.0° |
| C53 | C51 | C57 | H24 | 116.8° | 120.1° |
| C53 | C51 | N44 | C41 | 179.4° | 60.0° |
| C51 | C53 | H25 | H26 | 120.0° | 120.0° |
| C51 | C53 | H25 | H27 | 120.0° | 120.0° |
| C51 | C53 | H26 | H27 | 120.0° | 120.1° |
| C53 | C51 | C57 | H28 | 180.0° | 180.0° |
| C53 | C51 | C57 | H29 | 60.0° | 60.0° |
| C53 | C51 | C57 | H30 | 60.0° | 60.0° |
| O15 | S14 | N17 | C13 | 117.7° | 113.5° |
| O15 | S14 | N17 | C19 | 49.2° | 48.5° |
| O15 | S14 | C13 | C06 | 178.5° | 48.6° |
| O15 | S14 | C13 | C11 | 4.8° | 131.2° |
| O15 | S14 | N17 | H9 | 171.4° | 131.4° |
| S14 | N17 | C19 | H9 | 122.2° | 180.0° |
| S14 | N17 | C19 | C20 | 161.4° | 45.0° |
| S14 | N17 | C19 | C26 | 21.8° | 135.0° |
| N17 | S14 | C13 | C06 | 62.1° | 65.0° |
| N17 | S14 | C13 | C11 | 114.6° | 115.3° |
| C19 | N17 | S14 | C13 | 68.4° | 65.0° |
| N17 | C19 | C20 | C26 | 176.9° | 180.0° |
| N17 | C19 | C20 | C22 | 178.2° | 180.0° |
| N17 | C19 | C26 | C25 | 179.0° | 179.6° |
| N17 | C19 | C20 | H1 | 1.8° | 0.3° |
| N17 | C19 | C26 | H3 | 1.0° | 0.2° |
| S14 | C13 | C06 | O05 | 3.8° | 0.2° |
| S14 | C13 | C06 | C11 | 176.7° | 179.8° |
| S14 | C13 | C06 | N07 | 179.5° | 180.0° |
| S14 | C13 | C11 | C10 | 177.7° | 179.8° |
| S14 | C13 | C11 | H8 | 2.3° | 0.3° |
| C13 | S14 | N17 | H9 | 53.8° | 115.1° |
| C19 | C20 | C22 | H1 | 180.0° | 179.7° |
| C20 | C19 | C26 | C25 | 2.2° | 0.4° |
| C19 | C20 | C22 | N24 | 2.3° | 0.3° |
| C19 | C20 | C22 | H2 | 177.8° | 179.8° |
| C20 | C19 | C26 | H3 | 177.8° | 179.8° |
| C20 | C19 | N17 | H9 | 39.1° | 135.0° |
| C26 | C19 | C20 | C22 | 1.4° | 0.1° |
| C19 | C26 | C25 | H3 | 180.0° | 179.4° |
| C19 | C26 | C25 | N24 | 3.9° | 0.7° |
| C19 | C26 | C25 | C28 | 178.0° | 180.0° |
| C26 | C19 | C20 | H1 | 178.6° | 179.7° |
| C26 | C19 | N17 | H9 | 144.0° | 45.1° |
| C20 | C22 | N24 | H2 | 180.0° | 180.0° |
| C20 | C22 | N24 | C25 | 3.9° | 0.0° |
| C48 | C45 | N44 | H20 | 120.3° | 119.9° |
| C48 | C45 | N44 | H21 | 120.3° | 119.9° |
| C48 | C45 | N44 | C51 | 176.6° | 176.8° |
| C45 | C48 | N37 | H22 | 120.1° | 120.0° |
| C45 | C48 | N37 | H23 | 120.2° | 119.9° |
| C48 | C45 | N44 | C41 | 50.1° | 59.3° |
| C45 | C48 | N37 | C38 | 62.4° | 59.3° |
| C45 | C48 | N37 | C34 | 174.5° | 176.8° |
| C48 | C45 | H20 | H21 | 119.0° | 120.1° |
| C45 | C48 | H22 | H23 | 119.6° | 120.0° |
| C45 | N44 | C51 | C41 | 126.9° | 123.8° |
| C45 | N44 | C51 | C57 | 177.8° | 56.2° |
| N44 | C45 | C48 | N37 | 56.9° | 58.4° |
| C45 | N44 | C41 | C38 | 49.7° | 59.4° |
| C45 | N44 | C41 | H17 | 170.1° | 60.7° |
| C45 | N44 | C41 | H18 | 70.7° | 179.4° |
| N44 | C45 | H20 | H21 | 119.0° | 120.1° |
| N44 | C45 | C48 | H22 | 177.0° | 61.6° |
| N44 | C45 | C48 | H23 | 63.3° | 178.4° |
| C45 | N44 | C51 | H24 | 65.0° | 63.8° |
| C26 | C25 | N24 | C22 | 4.7° | 0.5° |
| C26 | C25 | N24 | C28 | 174.3° | 179.3° |
| C26 | C25 | C28 | C29 | 128.2° | 0.2° |
| C26 | C25 | C28 | C63 | 47.3° | 180.0° |
| N44 | C51 | C57 | H24 | 117.4° | 120.0° |
| C51 | N44 | C41 | C38 | 177.0° | 176.8° |
| C51 | N44 | C41 | H17 | 62.6° | 63.2° |
| C51 | N44 | C41 | H18 | 56.6° | 56.8° |
| C51 | N44 | C45 | H20 | 63.1° | 63.3° |
| C51 | N44 | C45 | H21 | 56.3° | 56.9° |
| N44 | C51 | C53 | H25 | 180.0° | 180.0° |
| N44 | C51 | C53 | H26 | 60.0° | 60.0° |
| N44 | C51 | C53 | H27 | 60.0° | 60.0° |
| N44 | C51 | C57 | H28 | 54.2° | 60.0° |
| N44 | C51 | C57 | H29 | 65.8° | 180.0° |
| N44 | C51 | C57 | H30 | 174.2° | 60.0° |
| C57 | C51 | N44 | C41 | 55.3° | 180.0° |
| C57 | C51 | C53 | H25 | 54.5° | 60.0° |
| C57 | C51 | C53 | H26 | 65.5° | 180.0° |
| C57 | C51 | C53 | H27 | 174.5° | 60.0° |
| C51 | C57 | H28 | H29 | 120.0° | 120.0° |
| C51 | C57 | H28 | H30 | 120.0° | 120.0° |
| C51 | C57 | H29 | H30 | 120.0° | 120.0° |
| C01 | O05 | C06 | C13 | 171.2° | 180.0° |
| C01 | O05 | C06 | N07 | 12.1° | 0.2° |
| O05 | C01 | H4 | H5 | 120.0° | 120.0° |
| O05 | C01 | H4 | H6 | 120.0° | 120.0° |
| O05 | C01 | H5 | H6 | 120.0° | 119.9° |
| O05 | C06 | C13 | N07 | 176.7° | 179.8° |
| O05 | C06 | C13 | C11 | 179.5° | 180.0° |
| O05 | C06 | N07 | C08 | 176.9° | 179.8° |
| C06 | O05 | C01 | H4 | 180.0° | 60.0° |
| C06 | O05 | C01 | H5 | 60.0° | 60.0° |
| C06 | O05 | C01 | H6 | 60.0° | 180.0° |
| C48 | N37 | C38 | C34 | 123.2° | 123.9° |
| C48 | N37 | C34 | C33 | 55.2° | 66.2° |
| C48 | N37 | C38 | C41 | 61.5° | 59.3° |
| C48 | N37 | C34 | H12 | 65.3° | 173.8° |
| C48 | N37 | C34 | H13 | 175.7° | 53.8° |
| C48 | N37 | C38 | H15 | 178.4° | 179.3° |
| C48 | N37 | C38 | H16 | 58.6° | 60.7° |
| N37 | C48 | C45 | H20 | 177.2° | 61.5° |
| N37 | C48 | C45 | H21 | 63.5° | 178.4° |
| N37 | C48 | H22 | H23 | 119.6° | 120.0° |
| N44 | C41 | C38 | N37 | 55.3° | 58.4° |
| N44 | C41 | C38 | H17 | 120.4° | 120.0° |
| N44 | C41 | C38 | H18 | 120.4° | 119.9° |
| N44 | C41 | C38 | H15 | 175.4° | 178.4° |
| N44 | C41 | C38 | H16 | 64.8° | 61.6° |
| N44 | C41 | H17 | H18 | 118.8° | 120.0° |
| C41 | N44 | C45 | H20 | 170.4° | 60.6° |
| C41 | N44 | C45 | H21 | 70.3° | 179.3° |
| C41 | N44 | C51 | H24 | 61.9° | 60.0° |
| C22 | N24 | C25 | C28 | 179.0° | 179.8° |
| N24 | C22 | C20 | H1 | 177.7° | 179.9° |
| C06 | C13 | C11 | C10 | 0.9° | 0.1° |
| C13 | C06 | N07 | C08 | 0.3° | 0.4° |
| C06 | C13 | C11 | H8 | 179.1° | 180.0° |
| C11 | C13 | C06 | N07 | 2.8° | 0.2° |
| C13 | C11 | C10 | H8 | 180.0° | 179.9° |
| C13 | C11 | C10 | C08 | 3.1° | 0.1° |
| C13 | C11 | C10 | N65 | 177.2° | 179.7° |
| N24 | C25 | C28 | C29 | 46.2° | 179.5° |
| N24 | C25 | C28 | C63 | 138.3° | 0.7° |
| C25 | N24 | C22 | H2 | 176.1° | 180.0° |
| N24 | C25 | C26 | H3 | 176.1° | 180.0° |
| C25 | C28 | C29 | C31 | 176.4° | 179.8° |
| C25 | C28 | C29 | C63 | 175.8° | 179.8° |
| C25 | C28 | C63 | C61 | 177.9° | 179.8° |
| C25 | C28 | C63 | F64 | 6.8° | 0.1° |
| C28 | C25 | C26 | H3 | 2.0° | 0.6° |
| C25 | C28 | C29 | H10 | 3.6° | 0.3° |
| C31 | C29 | C28 | H10 | 180.0° | 179.9° |
| C29 | C31 | C33 | H11 | 180.0° | 179.9° |
| C31 | C29 | C28 | C63 | 0.6° | 0.0° |
| C29 | C31 | C33 | C61 | 1.2° | 0.0° |
| C29 | C31 | C33 | C34 | 178.2° | 180.0° |
| C28 | C29 | C31 | C33 | 1.1° | 0.0° |
| C29 | C28 | C63 | C61 | 2.2° | 0.0° |
| C29 | C28 | C63 | F64 | 177.6° | 179.7° |
| C28 | C29 | C31 | H11 | 178.9° | 180.0° |
| C31 | C33 | C34 | N37 | 128.6° | 90.0° |
| C31 | C33 | C61 | C63 | 0.4° | 0.0° |
| C31 | C33 | C61 | C34 | 179.5° | 180.0° |
| C33 | C31 | C29 | H10 | 178.9° | 179.9° |
| C31 | C33 | C34 | H12 | 8.1° | 149.9° |
| C31 | C33 | C34 | H13 | 110.8° | 30.0° |
| C31 | C33 | C61 | H31 | 179.7° | 180.0° |
| C06 | N07 | C08 | C10 | 4.1° | 0.4° |
| C06 | N07 | C08 | H7 | 175.8° | 179.5° |
| C28 | C63 | C61 | F64 | 175.4° | 179.7° |
| C28 | C63 | C61 | C33 | 2.2° | 0.0° |
| C63 | C28 | C29 | H10 | 179.5° | 179.9° |
| C28 | C63 | C61 | H31 | 177.9° | 180.0° |
| C11 | C10 | C08 | N07 | 5.9° | 0.3° |
| C11 | C10 | C08 | N65 | 174.2° | 179.7° |
| C11 | C10 | N65 | C66 | 18.6° | 56.0° |
| C11 | C10 | N65 | C76 | 120.9° | 179.7° |
| C11 | C10 | C08 | H7 | 174.1° | 179.7° |
| C38 | N37 | C34 | C33 | 177.2° | 170.0° |
| N37 | C38 | C41 | H15 | 120.1° | 120.0° |
| N37 | C38 | C41 | H16 | 120.1° | 120.0° |
| C38 | N37 | C34 | H12 | 56.7° | 50.0° |
| C38 | N37 | C34 | H13 | 62.3° | 70.0° |
| N37 | C38 | H15 | H16 | 119.7° | 120.0° |
| N37 | C38 | C41 | H17 | 175.7° | 61.6° |
| N37 | C38 | C41 | H18 | 65.1° | 178.3° |
| C38 | N37 | C48 | H22 | 177.4° | 60.7° |
| C38 | N37 | C48 | H23 | 57.7° | 179.3° |
| N37 | C34 | C33 | C61 | 51.9° | 90.0° |
| N37 | C34 | C33 | H12 | 120.5° | 120.1° |
| N37 | C34 | C33 | H13 | 120.5° | 120.0° |
| C34 | N37 | C38 | C41 | 175.3° | 176.8° |
| N37 | C34 | H12 | H13 | 118.4° | 120.1° |
| C34 | N37 | C38 | H15 | 55.2° | 56.8° |
| C34 | N37 | C38 | H16 | 64.6° | 63.2° |
| C34 | N37 | C48 | H22 | 54.4° | 63.2° |
| C34 | N37 | C48 | H23 | 65.3° | 56.9° |
| C63 | C61 | C33 | H31 | 180.0° | 180.0° |
| C63 | C61 | C33 | C34 | 179.8° | 180.0° |
| F64 | C63 | C61 | C33 | 177.5° | 179.7° |
| F64 | C63 | C61 | H31 | 2.5° | 0.3° |
| C61 | C33 | C31 | H11 | 178.8° | 179.9° |
| C61 | C33 | C34 | H12 | 172.4° | 30.1° |
| C61 | C33 | C34 | H13 | 68.6° | 150.0° |
| C34 | C33 | C31 | H11 | 1.8° | 0.1° |
| C33 | C34 | H12 | H13 | 118.4° | 119.9° |
| C34 | C33 | C61 | H31 | 0.2° | 0.0° |
| C41 | C38 | H15 | H16 | 119.7° | 120.0° |
| C38 | C41 | H17 | H18 | 118.8° | 120.1° |
| N07 | C08 | C10 | H7 | 180.0° | 180.0° |
| N07 | C08 | C10 | N65 | 179.8° | 179.9° |
| C08 | C10 | N65 | C66 | 167.4° | 123.6° |
| C08 | C10 | N65 | C76 | 53.1° | 0.0° |
| C08 | C10 | C11 | H8 | 176.9° | 180.0° |
| C10 | N65 | C66 | C76 | 139.9° | 123.8° |
| C10 | N65 | C66 | C69 | 172.3° | 177.6° |
| C10 | N65 | C76 | C73 | 167.9° | 177.5° |
| N65 | C10 | C08 | H7 | 0.2° | 0.1° |
| N65 | C10 | C11 | H8 | 2.8° | 0.4° |
| C10 | N65 | C66 | H32 | 52.0° | 57.7° |
| C10 | N65 | C66 | H33 | 67.5° | 62.5° |
| C10 | N65 | C76 | H38 | 72.0° | 62.5° |
| C10 | N65 | C76 | H39 | 47.8° | 57.7° |
| N65 | C66 | C69 | H32 | 120.3° | 120.0° |
| N65 | C66 | C69 | H33 | 120.3° | 119.9° |
| C66 | N65 | C76 | C73 | 50.4° | 58.7° |
| N65 | C66 | C69 | O72 | 51.8° | 56.8° |
| N65 | C66 | H32 | H33 | 119.2° | 120.1° |
| N65 | C66 | C69 | H34 | 68.5° | 63.1° |
| N65 | C66 | C69 | H35 | 172.2° | 176.8° |
| C66 | N65 | C76 | H38 | 69.6° | 61.3° |
| C66 | N65 | C76 | H39 | 170.5° | 178.5° |
| C69 | C66 | N65 | C76 | 47.8° | 58.6° |
| C66 | C69 | O72 | H34 | 120.4° | 119.9° |
| C66 | C69 | O72 | H35 | 120.4° | 120.0° |
| C66 | C69 | O72 | C73 | 59.6° | 58.6° |
| C69 | C66 | H32 | H33 | 119.2° | 120.1° |
| C66 | C69 | H34 | H35 | 118.9° | 120.1° |
| N65 | C76 | C73 | H38 | 120.0° | 120.0° |
| N65 | C76 | C73 | H39 | 120.1° | 119.9° |
| N65 | C76 | C73 | O72 | 57.3° | 56.9° |
| C76 | N65 | C66 | H32 | 168.1° | 178.6° |
| C76 | N65 | C66 | H33 | 72.4° | 61.3° |
| N65 | C76 | C73 | H36 | 177.5° | 63.0° |
| N65 | C76 | C73 | H37 | 62.9° | 176.8° |
| N65 | C76 | H38 | H39 | 119.8° | 120.2° |
| C76 | C73 | O72 | C69 | 62.5° | 58.7° |
| C76 | C73 | O72 | H36 | 120.2° | 119.9° |
| C76 | C73 | O72 | H37 | 120.2° | 120.0° |
| C76 | C73 | H36 | H37 | 119.4° | 120.2° |
| C73 | C76 | H38 | H39 | 119.8° | 120.0° |
| O72 | C69 | C66 | H32 | 172.1° | 176.8° |
| O72 | C69 | C66 | H33 | 68.4° | 63.1° |
| O72 | C69 | H34 | H35 | 118.9° | 120.1° |
| C69 | O72 | C73 | H36 | 177.3° | 61.2° |
| C69 | O72 | C73 | H37 | 57.7° | 178.6° |
| C73 | O72 | C69 | H34 | 60.8° | 61.2° |
| C73 | O72 | C69 | H35 | 180.0° | 178.6° |
| O72 | C73 | H36 | H37 | 119.4° | 120.1° |
| O72 | C73 | C76 | H38 | 62.7° | 63.1° |
| O72 | C73 | C76 | H39 | 177.4° | 176.8° |
| H1 | C20 | C22 | H2 | 2.3° | 0.1° |
| H4 | C01 | H5 | H6 | 120.0° | 120.0° |
| H10 | C29 | C31 | H11 | 1.1° | 0.0° |
| H15 | C38 | C41 | H17 | 64.2° | 58.4° |
| H15 | C38 | C41 | H18 | 55.0° | 61.7° |
| H16 | C38 | C41 | H17 | 55.6° | 178.4° |
| H16 | C38 | C41 | H18 | 174.9° | 58.4° |
| H20 | C45 | C48 | H22 | 62.7° | 178.5° |
| H20 | C45 | C48 | H23 | 57.0° | 58.4° |
| H21 | C45 | C48 | H22 | 56.7° | 58.4° |
| H21 | C45 | C48 | H23 | 176.4° | 61.6° |
| H24 | C51 | C53 | H25 | 62.3° | 60.0° |
| H24 | C51 | C53 | H26 | 177.8° | 59.9° |
| H24 | C51 | C53 | H27 | 57.8° | 180.0° |
| H24 | C51 | C57 | H28 | 63.2° | 60.0° |
| H24 | C51 | C57 | H29 | 176.8° | 60.0° |
| H24 | C51 | C57 | H30 | 56.8° | 180.0° |
| H25 | C53 | H26 | H27 | 120.0° | 120.0° |
| H28 | C57 | H29 | H30 | 120.0° | 120.0° |
| H32 | C66 | C69 | H34 | 51.8° | 56.9° |
| H32 | C66 | C69 | H35 | 67.5° | 63.2° |
| H33 | C66 | C69 | H34 | 171.2° | 177.0° |
| H33 | C66 | C69 | H35 | 52.0° | 56.9° |
| H36 | C73 | C76 | H38 | 57.5° | 177.0° |
| H36 | C73 | C76 | H39 | 62.4° | 56.9° |
| H37 | C73 | C76 | H38 | 177.1° | 56.8° |
| H37 | C73 | C76 | H39 | 57.2° | 63.3° |
