BCJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C86 | C87 | sing | 1.51Å | 1.51Å | |
| C86 | C85 | sing | 1.55Å | 1.53Å | |
| O98 | C85 | sing | 1.43Å | 1.43Å | |
| O96 | C87 | doub | 1.21Å | 1.22Å | |
| C87 | N85 | sing | 1.34Å | 1.35Å | |
| C85 | C84 | sing | 1.54Å | 1.53Å | |
| C84 | N85 | sing | 1.47Å | 1.47Å | |
| N85 | C44 | sing | 1.46Å | 1.47Å | |
| C43 | C44 | sing | 1.53Å | 1.52Å | |
| C43 | C42 | sing | 1.53Å | 1.53Å | |
| C44 | C45 | sing | 1.53Å | 1.52Å | |
| C42 | N32 | sing | 1.47Å | 1.48Å | |
| C45 | C46 | sing | 1.53Å | 1.52Å | |
| N32 | C46 | sing | 1.47Å | 1.47Å | |
| N32 | C28 | sing | 1.47Å | 1.46Å | |
| O28 | C24 | sing | 1.43Å | 1.43Å | |
| C24 | C28 | sing | 1.53Å | 1.52Å | |
| C24 | C22 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C4 | sing | 1.51Å | 1.50Å | |
| C22 | N5 | sing | 1.46Å | 1.46Å | |
| C12 | N13 | sing | 1.47Å | 1.48Å | |
| C80 | C71 | sing | 1.53Å | 1.52Å | |
| C71 | C72 | sing | 1.53Å | 1.52Å | |
| C71 | C70 | sing | 1.53Å | 1.52Å | |
| C4 | N5 | sing | 1.35Å | 1.35Å | Aromatic |
| C4 | C3 | doub | 1.36Å | 1.36Å | Aromatic |
| N5 | N1 | sing | 1.40Å | 1.37Å | Aromatic |
| C72 | C73 | sing | 1.53Å | 1.52Å | |
| O14 | S98 | doub | 1.42Å | 1.43Å | |
| N13 | S98 | sing | 1.66Å | 1.62Å | |
| N13 | C14 | sing | 1.47Å | 1.47Å | |
| C10 | S98 | sing | 1.81Å | 1.75Å | |
| C73 | N70 | sing | 1.47Å | 1.46Å | |
| C3 | C14 | sing | 1.51Å | 1.50Å | |
| C3 | C2 | sing | 1.40Å | 1.42Å | Aromatic |
| C70 | C69 | sing | 1.53Å | 1.53Å | |
| S98 | O10 | doub | 1.42Å | 1.43Å | |
| N1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| C69 | N70 | sing | 1.47Å | 1.46Å | |
| C2 | C20 | sing | 1.48Å | 1.48Å | |
| N70 | C65 | sing | 1.47Å | 1.47Å | |
| C65 | C63 | sing | 1.53Å | 1.52Å | |
| C20 | C35 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C63 | S64 | sing | 1.81Å | 1.81Å | |
| C35 | C34 | sing | 1.39Å | 1.40Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | S64 | sing | 1.76Å | 1.78Å | |
| C34 | C33 | doub | 1.39Å | 1.40Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C53 | sing | 1.51Å | 1.50Å | |
| F58 | C53 | sing | 1.40Å | 1.33Å | |
| C53 | F60 | sing | 1.40Å | 1.33Å | |
| C53 | F62 | sing | 1.40Å | 1.33Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.08Å | 1.08Å | |
| C32 | H16 | sing | 1.08Å | 1.08Å | |
| C35 | H17 | sing | 1.08Å | 1.08Å | |
| C42 | H18 | sing | 1.09Å | 1.10Å | |
| C42 | H19 | sing | 1.09Å | 1.10Å | |
| C43 | H20 | sing | 1.09Å | 1.10Å | |
| C43 | H21 | sing | 1.09Å | 1.10Å | |
| C44 | H22 | sing | 1.09Å | 1.10Å | |
| C45 | H23 | sing | 1.09Å | 1.10Å | |
| C45 | H24 | sing | 1.09Å | 1.10Å | |
| C46 | H25 | sing | 1.09Å | 1.10Å | |
| C46 | H26 | sing | 1.09Å | 1.10Å | |
| C63 | H27 | sing | 1.09Å | 1.10Å | |
| C63 | H28 | sing | 1.09Å | 1.10Å | |
| C65 | H29 | sing | 1.09Å | 1.10Å | |
| C65 | H30 | sing | 1.09Å | 1.10Å | |
| C69 | H31 | sing | 1.09Å | 1.10Å | |
| C69 | H32 | sing | 1.09Å | 1.10Å | |
| C70 | H33 | sing | 1.09Å | 1.10Å | |
| C70 | H34 | sing | 1.09Å | 1.10Å | |
| C71 | H35 | sing | 1.09Å | 1.10Å | |
| C72 | H36 | sing | 1.09Å | 1.10Å | |
| C72 | H37 | sing | 1.09Å | 1.10Å | |
| C73 | H38 | sing | 1.09Å | 1.10Å | |
| C73 | H39 | sing | 1.09Å | 1.10Å | |
| C80 | H40 | sing | 1.09Å | 1.10Å | |
| C80 | H41 | sing | 1.09Å | 1.10Å | |
| C80 | H42 | sing | 1.09Å | 1.10Å | |
| C84 | H43 | sing | 1.09Å | 1.10Å | |
| C84 | H44 | sing | 1.09Å | 1.10Å | |
| C85 | H45 | sing | 1.09Å | 1.10Å | |
| C86 | H46 | sing | 1.09Å | 1.10Å | |
| C86 | H47 | sing | 1.09Å | 1.10Å | |
| O28 | H50 | sing | 0.97Å | 0.95Å | |
| O98 | H51 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C87 | C86 | C85 | 103.4° | 104.2° |
| C86 | C87 | O96 | 126.9° | 125.0° |
| C86 | C87 | N85 | 108.1° | 110.1° |
| C87 | C86 | H46 | 111.0° | 110.5° |
| C87 | C86 | H47 | 111.0° | 110.5° |
| C86 | C85 | O98 | 108.6° | 111.0° |
| C86 | C85 | C84 | 103.1° | 101.7° |
| C86 | C85 | H45 | 110.5° | 111.0° |
| C85 | C86 | H46 | 111.0° | 110.5° |
| C85 | C86 | H47 | 110.9° | 110.5° |
| O98 | C85 | C84 | 111.6° | 111.0° |
| O98 | C85 | H45 | 112.0° | 110.8° |
| C85 | O98 | H51 | 109.5° | 114.0° |
| O96 | C87 | N85 | 125.0° | 124.9° |
| C87 | N85 | C84 | 112.9° | 111.3° |
| C87 | N85 | C44 | 123.7° | 124.4° |
| C85 | C84 | N85 | 102.7° | 105.5° |
| C85 | C84 | H43 | 111.2° | 110.2° |
| C85 | C84 | H44 | 111.2° | 110.3° |
| C84 | C85 | H45 | 110.6° | 111.0° |
| C84 | N85 | C44 | 123.4° | 124.4° |
| N85 | C84 | H43 | 111.1° | 110.2° |
| N85 | C84 | H44 | 111.2° | 110.3° |
| N85 | C44 | C43 | 112.5° | 109.5° |
| N85 | C44 | C45 | 111.9° | 109.5° |
| N85 | C44 | H22 | 107.8° | 109.6° |
| C44 | C43 | C42 | 110.4° | 109.3° |
| C43 | C44 | C45 | 110.1° | 109.1° |
| C44 | C43 | H20 | 109.2° | 109.5° |
| C44 | C43 | H21 | 109.2° | 109.5° |
| C43 | C44 | H22 | 107.1° | 109.5° |
| C43 | C42 | N32 | 111.9° | 109.5° |
| C43 | C42 | H18 | 108.9° | 109.5° |
| C43 | C42 | H19 | 108.8° | 109.4° |
| C42 | C43 | H20 | 109.2° | 109.5° |
| C42 | C43 | H21 | 109.2° | 109.5° |
| C44 | C45 | C46 | 110.0° | 109.3° |
| C45 | C44 | H22 | 107.1° | 109.5° |
| C44 | C45 | H23 | 109.3° | 109.5° |
| C44 | C45 | H24 | 109.3° | 109.5° |
| C42 | N32 | C46 | 110.3° | 111.2° |
| C42 | N32 | C28 | 108.7° | 111.0° |
| N32 | C42 | H18 | 108.9° | 109.4° |
| N32 | C42 | H19 | 108.9° | 109.5° |
| C45 | C46 | N32 | 111.6° | 109.5° |
| C46 | C45 | H23 | 109.3° | 109.5° |
| C46 | C45 | H24 | 109.4° | 109.5° |
| C45 | C46 | H25 | 108.9° | 109.5° |
| C45 | C46 | H26 | 108.9° | 109.5° |
| C46 | N32 | C28 | 108.6° | 111.0° |
| N32 | C46 | H25 | 108.9° | 109.5° |
| N32 | C46 | H26 | 109.0° | 109.4° |
| N32 | C28 | C24 | 112.2° | 109.5° |
| N32 | C28 | H13 | 108.8° | 109.5° |
| N32 | C28 | H14 | 108.8° | 109.5° |
| O28 | C24 | C28 | 107.8° | 109.5° |
| O28 | C24 | C22 | 111.8° | 109.4° |
| O28 | C24 | H12 | 109.5° | 109.5° |
| C24 | O28 | H50 | 109.5° | 114.0° |
| C28 | C24 | C22 | 110.9° | 109.5° |
| C28 | C24 | H12 | 108.4° | 109.5° |
| C24 | C28 | H13 | 108.8° | 109.5° |
| C24 | C28 | H14 | 108.8° | 109.4° |
| C24 | C22 | N5 | 112.8° | 109.5° |
| C24 | C22 | H10 | 108.6° | 109.5° |
| C24 | C22 | H11 | 108.7° | 109.4° |
| C22 | C24 | H12 | 108.3° | 109.5° |
| C12 | C11 | C4 | 109.5° | 108.8° |
| C11 | C12 | N13 | 109.9° | 109.2° |
| C12 | C11 | H1 | 109.5° | 109.6° |
| C12 | C11 | H2 | 109.5° | 109.6° |
| C11 | C12 | H6 | 109.4° | 109.5° |
| C11 | C12 | H7 | 109.3° | 109.5° |
| C11 | C4 | N5 | 127.6° | 127.6° |
| C11 | C4 | C3 | 125.3° | 124.5° |
| C4 | C11 | H1 | 109.5° | 109.6° |
| C4 | C11 | H2 | 109.5° | 109.6° |
| C22 | N5 | C4 | 127.2° | 126.0° |
| C22 | N5 | N1 | 120.3° | 126.0° |
| N5 | C22 | H10 | 108.6° | 109.5° |
| N5 | C22 | H11 | 108.6° | 109.5° |
| C12 | N13 | S98 | 117.4° | 120.8° |
| C12 | N13 | C14 | 113.8° | 118.4° |
| N13 | C12 | H6 | 109.4° | 109.5° |
| N13 | C12 | H7 | 109.4° | 109.5° |
| C80 | C71 | C72 | 111.8° | 109.5° |
| C80 | C71 | C70 | 112.1° | 109.6° |
| C80 | C71 | H35 | 107.7° | 109.6° |
| C71 | C80 | H40 | 109.5° | 109.5° |
| C71 | C80 | H41 | 109.5° | 109.4° |
| C71 | C80 | H42 | 109.5° | 109.4° |
| C72 | C71 | C70 | 109.6° | 109.1° |
| C71 | C72 | C73 | 112.0° | 109.3° |
| C72 | C71 | H35 | 107.8° | 109.5° |
| C71 | C72 | H36 | 108.8° | 109.5° |
| C71 | C72 | H37 | 108.8° | 109.5° |
| C71 | C70 | C69 | 112.0° | 109.3° |
| C71 | C70 | H33 | 108.8° | 109.5° |
| C71 | C70 | H34 | 108.8° | 109.6° |
| C70 | C71 | H35 | 107.7° | 109.5° |
| N5 | C4 | C3 | 107.1° | 107.9° |
| C4 | N5 | N1 | 112.4° | 108.1° |
| C4 | C3 | C14 | 122.7° | 123.9° |
| C4 | C3 | C2 | 105.3° | 108.1° |
| N5 | N1 | C2 | 103.9° | 108.2° |
| C72 | C73 | N70 | 111.1° | 109.5° |
| C73 | C72 | H36 | 108.8° | 109.5° |
| C73 | C72 | H37 | 108.8° | 109.5° |
| C72 | C73 | H38 | 109.1° | 109.5° |
| C72 | C73 | H39 | 109.1° | 109.4° |
| O14 | S98 | N13 | 106.5° | 104.3° |
| O14 | S98 | C10 | 108.6° | 110.5° |
| O14 | S98 | O10 | 118.6° | 121.0° |
| S98 | N13 | C14 | 122.4° | 120.8° |
| N13 | S98 | C10 | 107.4° | 104.4° |
| N13 | S98 | O10 | 106.6° | 104.3° |
| N13 | C14 | C3 | 104.6° | 107.2° |
| N13 | C14 | H8 | 110.7° | 109.9° |
| N13 | C14 | H9 | 110.7° | 110.0° |
| C10 | S98 | O10 | 108.6° | 110.5° |
| S98 | C10 | H3 | 109.5° | 109.5° |
| S98 | C10 | H4 | 109.5° | 109.5° |
| S98 | C10 | H5 | 109.5° | 109.5° |
| C73 | N70 | C69 | 108.9° | 111.2° |
| C73 | N70 | C65 | 110.9° | 111.0° |
| N70 | C73 | H38 | 109.1° | 109.4° |
| N70 | C73 | H39 | 109.0° | 109.4° |
| C14 | C3 | C2 | 132.0° | 128.0° |
| C3 | C14 | H8 | 110.7° | 109.9° |
| C3 | C14 | H9 | 110.7° | 109.9° |
| C3 | C2 | N1 | 111.2° | 107.7° |
| C3 | C2 | C20 | 128.0° | 126.1° |
| C70 | C69 | N70 | 110.7° | 109.5° |
| C70 | C69 | H31 | 109.1° | 109.5° |
| C70 | C69 | H32 | 109.1° | 109.5° |
| C69 | C70 | H33 | 108.8° | 109.5° |
| C69 | C70 | H34 | 108.8° | 109.5° |
| N1 | C2 | C20 | 120.8° | 126.1° |
| C69 | N70 | C65 | 112.8° | 111.0° |
| N70 | C69 | H31 | 109.2° | 109.5° |
| N70 | C69 | H32 | 109.2° | 109.4° |
| C2 | C20 | C35 | 120.2° | 120.1° |
| C2 | C20 | C31 | 120.6° | 120.1° |
| N70 | C65 | C63 | 114.8° | 109.5° |
| N70 | C65 | H29 | 108.1° | 109.5° |
| N70 | C65 | H30 | 108.1° | 109.4° |
| C65 | C63 | S64 | 110.1° | 109.4° |
| C65 | C63 | H27 | 109.3° | 109.4° |
| C65 | C63 | H28 | 109.3° | 109.4° |
| C63 | C65 | H29 | 108.1° | 109.5° |
| C63 | C65 | H30 | 108.1° | 109.5° |
| C35 | C20 | C31 | 119.2° | 119.8° |
| C20 | C35 | C34 | 120.7° | 119.8° |
| C20 | C35 | H17 | 119.6° | 120.1° |
| C20 | C31 | C32 | 120.2° | 120.0° |
| C20 | C31 | H15 | 119.9° | 120.0° |
| C63 | S64 | C34 | 104.6° | 103.0° |
| S64 | C63 | H27 | 109.3° | 109.5° |
| S64 | C63 | H28 | 109.3° | 109.5° |
| C35 | C34 | S64 | 119.5° | 120.0° |
| C35 | C34 | C33 | 119.5° | 119.9° |
| C34 | C35 | H17 | 119.7° | 120.1° |
| C31 | C32 | C33 | 121.4° | 120.2° |
| C32 | C31 | H15 | 119.9° | 120.0° |
| C31 | C32 | H16 | 119.3° | 119.9° |
| S64 | C34 | C33 | 121.0° | 120.0° |
| C34 | C33 | C32 | 118.9° | 120.2° |
| C34 | C33 | C53 | 121.5° | 119.9° |
| C32 | C33 | C53 | 119.6° | 119.9° |
| C33 | C32 | H16 | 119.3° | 119.9° |
| C33 | C53 | F58 | 113.6° | 109.4° |
| C33 | C53 | F60 | 111.7° | 109.5° |
| C33 | C53 | F62 | 112.1° | 109.5° |
| F58 | C53 | F60 | 106.6° | 109.5° |
| F58 | C53 | F62 | 107.2° | 109.5° |
| F60 | C53 | F62 | 105.1° | 109.5° |
| H1 | C11 | H2 | 109.5° | 109.7° |
| H3 | C10 | H4 | 109.4° | 109.4° |
| H3 | C10 | H5 | 109.5° | 109.5° |
| H4 | C10 | H5 | 109.4° | 109.4° |
| H6 | C12 | H7 | 109.5° | 109.6° |
| H8 | C14 | H9 | 109.4° | 109.9° |
| H10 | C22 | H11 | 109.4° | 109.5° |
| H13 | C28 | H14 | 109.5° | 109.5° |
| H18 | C42 | H19 | 109.4° | 109.5° |
| H20 | C43 | H21 | 109.5° | 109.5° |
| H23 | C45 | H24 | 109.5° | 109.5° |
| H25 | C46 | H26 | 109.5° | 109.4° |
| H27 | C63 | H28 | 109.5° | 109.5° |
| H29 | C65 | H30 | 109.5° | 109.5° |
| H31 | C69 | H32 | 109.5° | 109.5° |
| H33 | C70 | H34 | 109.5° | 109.5° |
| H36 | C72 | H37 | 109.5° | 109.6° |
| H38 | C73 | H39 | 109.5° | 109.4° |
| H40 | C80 | H41 | 109.5° | 109.5° |
| H40 | C80 | H42 | 109.5° | 109.5° |
| H41 | C80 | H42 | 109.5° | 109.5° |
| H43 | C84 | H44 | 109.4° | 110.2° |
| H46 | C86 | H47 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C87 | C86 | C85 | H46 | 119.0° | 118.7° |
| C87 | C86 | C85 | H47 | 119.0° | 118.7° |
| C87 | C86 | C85 | O98 | 148.1° | 93.4° |
| C86 | C87 | O96 | N85 | 179.9° | 180.0° |
| C87 | C86 | C85 | C84 | 29.6° | 24.8° |
| C86 | C87 | N85 | C84 | 0.1° | 0.4° |
| C86 | C87 | N85 | C44 | 179.8° | 179.6° |
| C87 | C86 | C85 | H45 | 88.6° | 142.9° |
| C87 | C86 | H46 | H47 | 122.8° | 122.6° |
| C86 | C85 | O98 | C84 | 113.0° | 112.4° |
| C86 | C85 | O98 | H45 | 122.3° | 123.8° |
| C85 | C86 | C87 | O96 | 160.9° | 163.8° |
| C85 | C86 | C87 | N85 | 19.0° | 16.2° |
| C86 | C85 | C84 | H45 | 118.2° | 118.1° |
| C86 | C85 | C84 | N85 | 29.3° | 25.5° |
| C86 | C85 | C84 | H43 | 89.6° | 144.5° |
| C86 | C85 | C84 | H44 | 148.3° | 93.7° |
| C85 | C86 | H46 | H47 | 122.8° | 122.6° |
| C86 | C85 | O98 | H51 | 180.0° | 67.6° |
| O98 | C85 | C84 | H45 | 125.4° | 123.7° |
| O98 | C85 | C84 | N85 | 145.7° | 92.7° |
| O98 | C85 | C84 | H43 | 26.8° | 26.3° |
| O98 | C85 | C84 | H44 | 95.4° | 148.2° |
| O98 | C85 | C86 | H46 | 29.1° | 147.9° |
| O98 | C85 | C86 | H47 | 92.8° | 25.3° |
| O96 | C87 | N85 | C84 | 180.0° | 179.5° |
| O96 | C87 | N85 | C44 | 0.1° | 0.5° |
| O96 | C87 | C86 | H46 | 80.1° | 77.5° |
| O96 | C87 | C86 | H47 | 41.9° | 45.1° |
| C87 | N85 | C84 | C85 | 19.1° | 17.1° |
| C87 | N85 | C84 | C44 | 179.9° | 180.0° |
| C87 | N85 | C44 | C43 | 57.0° | 60.0° |
| C87 | N85 | C44 | C45 | 67.6° | 59.7° |
| C87 | N85 | C44 | H22 | 174.8° | 179.9° |
| C87 | N85 | C84 | H43 | 99.8° | 136.0° |
| C87 | N85 | C84 | H44 | 138.0° | 102.1° |
| N85 | C87 | C86 | H46 | 100.0° | 102.5° |
| N85 | C87 | C86 | H47 | 138.0° | 134.9° |
| C85 | C84 | N85 | H43 | 118.9° | 118.9° |
| C85 | C84 | N85 | H44 | 118.9° | 119.1° |
| C85 | C84 | N85 | C44 | 160.8° | 162.9° |
| C85 | C84 | H43 | H44 | 123.2° | 121.9° |
| C84 | C85 | C86 | H46 | 89.4° | 93.9° |
| C84 | C85 | C86 | H47 | 148.6° | 143.5° |
| C84 | C85 | O98 | H51 | 67.0° | 180.0° |
| C84 | N85 | C44 | C43 | 123.1° | 120.1° |
| C84 | N85 | C44 | C45 | 112.3° | 120.3° |
| C84 | N85 | C44 | H22 | 5.3° | 0.1° |
| N85 | C84 | H43 | H44 | 123.1° | 122.0° |
| N85 | C84 | C85 | H45 | 88.9° | 143.6° |
| N85 | C44 | C43 | C45 | 125.6° | 119.9° |
| N85 | C44 | C43 | H22 | 118.2° | 120.2° |
| N85 | C44 | C43 | C42 | 179.9° | 177.6° |
| N85 | C44 | C45 | H22 | 117.9° | 120.2° |
| N85 | C44 | C45 | C46 | 178.4° | 177.6° |
| N85 | C44 | C43 | H20 | 59.7° | 62.5° |
| N85 | C44 | C43 | H21 | 60.0° | 57.5° |
| N85 | C44 | C45 | H23 | 58.4° | 62.5° |
| N85 | C44 | C45 | H24 | 61.5° | 57.6° |
| C44 | N85 | C84 | H43 | 80.3° | 44.0° |
| C44 | N85 | C84 | H44 | 41.9° | 77.9° |
| C44 | C43 | C42 | H20 | 120.1° | 119.9° |
| C44 | C43 | C42 | H21 | 120.1° | 120.0° |
| C43 | C44 | C45 | H22 | 116.1° | 119.9° |
| C44 | C43 | C42 | N32 | 55.6° | 59.2° |
| C43 | C44 | C45 | C46 | 55.6° | 57.7° |
| C44 | C43 | C42 | H18 | 176.0° | 179.2° |
| C44 | C43 | C42 | H19 | 64.8° | 60.8° |
| C44 | C43 | H20 | H21 | 119.5° | 120.1° |
| C43 | C44 | C45 | H23 | 175.7° | 177.6° |
| C43 | C44 | C45 | H24 | 64.5° | 62.3° |
| C42 | C43 | C44 | C45 | 54.3° | 57.7° |
| C43 | C42 | N32 | H18 | 120.4° | 120.0° |
| C43 | C42 | N32 | H19 | 120.4° | 120.0° |
| C43 | C42 | N32 | C46 | 57.6° | 61.7° |
| C43 | C42 | N32 | C28 | 176.6° | 174.2° |
| C43 | C42 | H18 | H19 | 118.9° | 120.0° |
| C42 | C43 | H20 | H21 | 119.6° | 120.1° |
| C42 | C43 | C44 | H22 | 61.9° | 62.2° |
| C44 | C45 | C46 | H23 | 120.1° | 119.9° |
| C44 | C45 | C46 | H24 | 120.1° | 120.0° |
| C44 | C45 | C46 | N32 | 58.6° | 59.2° |
| C45 | C44 | C43 | H20 | 65.9° | 177.6° |
| C45 | C44 | C43 | H21 | 174.4° | 62.3° |
| C44 | C45 | H23 | H24 | 119.8° | 120.1° |
| C44 | C45 | C46 | H25 | 61.7° | 60.8° |
| C44 | C45 | C46 | H26 | 178.9° | 179.2° |
| C42 | N32 | C46 | C45 | 59.1° | 61.7° |
| C42 | N32 | C46 | C28 | 119.0° | 124.1° |
| C42 | N32 | C28 | C24 | 61.1° | 75.8° |
| C42 | N32 | C28 | H13 | 59.3° | 164.2° |
| C42 | N32 | C28 | H14 | 178.5° | 44.2° |
| N32 | C42 | H18 | H19 | 118.9° | 120.0° |
| N32 | C42 | C43 | H20 | 64.6° | 179.1° |
| N32 | C42 | C43 | H21 | 175.7° | 60.8° |
| C42 | N32 | C46 | H25 | 61.2° | 58.3° |
| C42 | N32 | C46 | H26 | 179.4° | 178.3° |
| C45 | C46 | N32 | H25 | 120.3° | 120.1° |
| C45 | C46 | N32 | H26 | 120.3° | 120.0° |
| C45 | C46 | N32 | C28 | 178.1° | 174.1° |
| C46 | C45 | C44 | H22 | 60.5° | 62.2° |
| C46 | C45 | H23 | H24 | 119.8° | 120.1° |
| C45 | C46 | H25 | H26 | 119.0° | 120.0° |
| C46 | N32 | C28 | C24 | 178.9° | 160.0° |
| C46 | N32 | C28 | H13 | 60.7° | 40.0° |
| C46 | N32 | C28 | H14 | 58.4° | 80.0° |
| C46 | N32 | C42 | H18 | 178.0° | 178.3° |
| C46 | N32 | C42 | H19 | 62.7° | 58.3° |
| N32 | C46 | C45 | H23 | 178.7° | 179.2° |
| N32 | C46 | C45 | H24 | 61.5° | 60.7° |
| N32 | C46 | H25 | H26 | 119.1° | 119.9° |
| N32 | C28 | C24 | O28 | 67.2° | 62.7° |
| N32 | C28 | C24 | H13 | 120.4° | 120.0° |
| N32 | C28 | C24 | H14 | 120.4° | 120.0° |
| N32 | C28 | C24 | C22 | 170.1° | 177.4° |
| N32 | C28 | C24 | H12 | 51.3° | 57.4° |
| N32 | C28 | H13 | H14 | 118.8° | 120.0° |
| C28 | N32 | C42 | H18 | 63.0° | 54.2° |
| C28 | N32 | C42 | H19 | 56.2° | 65.8° |
| C28 | N32 | C46 | H25 | 57.8° | 65.8° |
| C28 | N32 | C46 | H26 | 61.6° | 54.2° |
| O28 | C24 | C28 | C22 | 122.7° | 120.0° |
| O28 | C24 | C28 | H12 | 118.5° | 120.0° |
| O28 | C24 | C22 | H12 | 120.8° | 120.0° |
| O28 | C24 | C22 | N5 | 46.1° | 65.0° |
| O28 | C24 | C22 | H10 | 74.4° | 55.0° |
| O28 | C24 | C22 | H11 | 166.6° | 175.0° |
| O28 | C24 | C28 | H13 | 172.4° | 57.3° |
| O28 | C24 | C28 | H14 | 53.2° | 177.3° |
| C28 | C24 | C22 | H12 | 118.9° | 120.1° |
| C28 | C24 | C22 | N5 | 74.3° | 175.0° |
| C28 | C24 | C22 | H10 | 165.2° | 65.0° |
| C28 | C24 | C22 | H11 | 46.2° | 55.0° |
| C24 | C28 | H13 | H14 | 118.7° | 120.0° |
| C28 | C24 | O28 | H50 | 180.0° | 60.0° |
| C24 | C22 | N5 | H10 | 120.5° | 120.0° |
| C24 | C22 | N5 | H11 | 120.5° | 119.9° |
| C24 | C22 | N5 | C4 | 88.3° | 89.9° |
| C24 | C22 | N5 | N1 | 91.6° | 90.0° |
| C24 | C22 | H10 | H11 | 118.5° | 120.0° |
| C22 | C24 | C28 | H13 | 49.7° | 62.6° |
| C22 | C24 | C28 | H14 | 69.5° | 57.4° |
| C22 | C24 | O28 | H50 | 57.8° | 60.0° |
| C12 | C11 | C4 | H1 | 120.0° | 119.8° |
| C12 | C11 | C4 | H2 | 120.0° | 119.8° |
| C11 | C12 | N13 | H6 | 120.1° | 119.9° |
| C11 | C12 | N13 | H7 | 120.1° | 119.9° |
| C12 | C11 | C4 | N5 | 174.6° | 162.2° |
| C12 | C11 | C4 | C3 | 5.1° | 18.0° |
| C11 | C12 | N13 | S98 | 138.6° | 115.5° |
| C11 | C12 | N13 | C14 | 68.5° | 64.4° |
| C12 | C11 | H1 | H2 | 120.0° | 120.3° |
| C11 | C12 | H6 | H7 | 119.8° | 120.2° |
| C11 | C4 | N5 | C22 | 0.0° | 0.4° |
| C4 | C11 | C12 | N13 | 35.9° | 45.4° |
| C11 | C4 | N5 | C3 | 179.8° | 179.8° |
| C11 | C4 | N5 | N1 | 179.8° | 179.5° |
| C11 | C4 | C3 | C14 | 0.2° | 0.6° |
| C11 | C4 | C3 | C2 | 179.5° | 179.5° |
| C4 | C11 | H1 | H2 | 120.0° | 120.3° |
| C4 | C11 | C12 | H6 | 84.2° | 165.3° |
| C4 | C11 | C12 | H7 | 156.0° | 74.5° |
| C22 | N5 | C4 | N1 | 179.9° | 179.9° |
| C22 | N5 | C4 | C3 | 179.9° | 179.8° |
| C22 | N5 | N1 | C2 | 179.6° | 179.9° |
| N5 | C22 | H10 | H11 | 118.4° | 120.0° |
| N5 | C22 | C24 | H12 | 166.9° | 55.0° |
| C12 | N13 | S98 | O14 | 38.8° | 153.9° |
| C12 | N13 | S98 | C14 | 150.4° | 179.9° |
| C12 | N13 | S98 | C10 | 77.5° | 90.0° |
| C12 | N13 | C14 | C3 | 59.2° | 44.2° |
| C12 | N13 | S98 | O10 | 166.3° | 26.0° |
| N13 | C12 | C11 | H1 | 84.0° | 74.4° |
| N13 | C12 | C11 | H2 | 155.9° | 165.2° |
| N13 | C12 | H6 | H7 | 119.8° | 120.1° |
| C12 | N13 | C14 | H8 | 60.0° | 75.2° |
| C12 | N13 | C14 | H9 | 178.5° | 163.7° |
| C80 | C71 | C72 | C70 | 124.9° | 119.9° |
| C80 | C71 | C72 | H35 | 118.1° | 120.2° |
| C80 | C71 | C70 | H35 | 118.3° | 120.2° |
| C80 | C71 | C72 | C73 | 175.4° | 177.6° |
| C80 | C71 | C70 | C69 | 175.5° | 177.6° |
| C80 | C71 | C70 | H33 | 55.1° | 62.5° |
| C80 | C71 | C70 | H34 | 64.2° | 57.6° |
| C80 | C71 | C72 | H36 | 64.2° | 62.5° |
| C80 | C71 | C72 | H37 | 55.1° | 57.6° |
| C71 | C80 | H40 | H41 | 120.0° | 120.0° |
| C71 | C80 | H40 | H42 | 120.0° | 120.0° |
| C71 | C80 | H41 | H42 | 120.0° | 119.9° |
| C72 | C71 | C70 | H35 | 117.0° | 119.9° |
| C71 | C72 | C73 | H36 | 120.4° | 119.9° |
| C71 | C72 | C73 | H37 | 120.4° | 119.9° |
| C71 | C72 | C73 | N70 | 57.2° | 59.2° |
| C72 | C71 | C70 | C69 | 50.7° | 57.7° |
| C72 | C71 | C70 | H33 | 69.6° | 177.6° |
| C72 | C71 | C70 | H34 | 171.1° | 62.3° |
| C71 | C72 | H36 | H37 | 118.9° | 120.1° |
| C71 | C72 | C73 | H38 | 63.1° | 60.9° |
| C71 | C72 | C73 | H39 | 177.4° | 179.2° |
| C72 | C71 | C80 | H40 | 180.0° | 60.0° |
| C72 | C71 | C80 | H41 | 60.0° | 180.0° |
| C72 | C71 | C80 | H42 | 60.0° | 60.1° |
| C70 | C71 | C72 | C73 | 50.5° | 57.7° |
| C71 | C70 | C69 | H33 | 120.4° | 119.9° |
| C71 | C70 | C69 | H34 | 120.4° | 120.0° |
| C71 | C70 | C69 | N70 | 57.4° | 59.2° |
| C71 | C70 | C69 | H31 | 177.6° | 179.2° |
| C71 | C70 | C69 | H32 | 62.8° | 60.8° |
| C71 | C70 | H33 | H34 | 118.8° | 120.1° |
| C70 | C71 | C72 | H36 | 170.9° | 177.6° |
| C70 | C71 | C72 | H37 | 69.9° | 62.3° |
| C70 | C71 | C80 | H40 | 56.5° | 179.6° |
| C70 | C71 | C80 | H41 | 63.5° | 60.3° |
| C70 | C71 | C80 | H42 | 176.5° | 59.6° |
| N5 | C4 | C3 | C14 | 180.0° | 179.7° |
| N5 | C4 | C3 | C2 | 0.3° | 0.3° |
| C4 | N5 | N1 | C2 | 0.3° | 0.2° |
| N5 | C4 | C11 | H1 | 65.4° | 78.0° |
| N5 | C4 | C11 | H2 | 54.6° | 42.5° |
| C4 | N5 | C22 | H10 | 32.2° | 150.0° |
| C4 | N5 | C22 | H11 | 151.1° | 30.0° |
| C3 | C4 | N5 | N1 | 0.0° | 0.3° |
| C4 | C3 | C14 | N13 | 24.9° | 11.3° |
| C4 | C3 | C14 | C2 | 179.7° | 179.9° |
| C4 | C3 | C2 | N1 | 0.5° | 0.1° |
| C4 | C3 | C2 | C20 | 179.0° | 179.8° |
| C3 | C4 | C11 | H1 | 114.8° | 101.8° |
| C3 | C4 | C11 | H2 | 125.2° | 137.8° |
| C4 | C3 | C14 | H8 | 94.3° | 108.1° |
| C4 | C3 | C14 | H9 | 144.2° | 130.8° |
| N5 | N1 | C2 | C3 | 0.5° | 0.0° |
| N5 | N1 | C2 | C20 | 179.1° | 180.0° |
| N1 | N5 | C22 | H10 | 147.9° | 30.1° |
| N1 | N5 | C22 | H11 | 29.0° | 150.1° |
| C72 | C73 | N70 | H38 | 120.3° | 120.1° |
| C72 | C73 | N70 | H39 | 120.3° | 120.0° |
| C72 | C73 | N70 | C69 | 61.7° | 61.8° |
| C72 | C73 | N70 | C65 | 173.6° | 174.1° |
| C73 | C72 | C71 | H35 | 66.5° | 62.2° |
| C73 | C72 | H36 | H37 | 118.9° | 120.1° |
| C72 | C73 | H38 | H39 | 119.3° | 120.0° |
| O14 | S98 | N13 | C10 | 116.2° | 116.1° |
| O14 | S98 | N13 | O10 | 127.5° | 127.8° |
| O14 | S98 | N13 | C14 | 170.9° | 26.0° |
| O14 | S98 | C10 | O10 | 130.3° | 136.7° |
| O14 | S98 | C10 | H3 | 180.0° | 51.6° |
| O14 | S98 | C10 | H4 | 60.0° | 68.3° |
| O14 | S98 | C10 | H5 | 60.0° | 171.7° |
| N13 | S98 | C10 | O10 | 114.9° | 111.6° |
| S98 | N13 | C14 | C3 | 149.5° | 135.7° |
| N13 | S98 | C10 | H3 | 65.1° | 60.0° |
| N13 | S98 | C10 | H4 | 54.9° | 180.0° |
| N13 | S98 | C10 | H5 | 174.9° | 60.0° |
| S98 | N13 | C12 | H6 | 101.3° | 4.5° |
| S98 | N13 | C12 | H7 | 18.6° | 124.6° |
| S98 | N13 | C14 | H8 | 91.3° | 104.9° |
| S98 | N13 | C14 | H9 | 30.2° | 16.2° |
| C14 | N13 | S98 | C10 | 72.9° | 90.1° |
| N13 | C14 | C3 | H8 | 119.2° | 119.4° |
| N13 | C14 | C3 | H9 | 119.3° | 119.6° |
| N13 | C14 | C3 | C2 | 155.4° | 168.8° |
| C14 | N13 | S98 | O10 | 43.4° | 153.9° |
| C14 | N13 | C12 | H6 | 51.5° | 175.6° |
| C14 | N13 | C12 | H7 | 171.4° | 55.5° |
| N13 | C14 | H8 | H9 | 122.2° | 121.2° |
| S98 | C10 | H3 | H4 | 120.0° | 120.0° |
| S98 | C10 | H3 | H5 | 120.0° | 120.1° |
| S98 | C10 | H4 | H5 | 120.0° | 120.0° |
| C73 | N70 | C69 | C70 | 61.7° | 61.7° |
| C73 | N70 | C69 | C65 | 123.5° | 124.1° |
| C73 | N70 | C65 | C63 | 143.1° | 65.8° |
| C73 | N70 | C65 | H29 | 22.3° | 54.2° |
| C73 | N70 | C65 | H30 | 96.2° | 174.2° |
| C73 | N70 | C69 | H31 | 178.2° | 178.2° |
| C73 | N70 | C69 | H32 | 58.5° | 58.3° |
| N70 | C73 | C72 | H36 | 177.6° | 179.1° |
| N70 | C73 | C72 | H37 | 63.2° | 60.7° |
| N70 | C73 | H38 | H39 | 119.2° | 119.9° |
| C14 | C3 | C2 | N1 | 179.8° | 179.8° |
| C14 | C3 | C2 | C20 | 1.3° | 0.3° |
| C3 | C14 | H8 | H9 | 122.2° | 121.0° |
| C3 | C2 | N1 | C20 | 178.6° | 179.9° |
| C3 | C2 | C20 | C35 | 34.7° | 145.1° |
| C3 | C2 | C20 | C31 | 143.7° | 34.7° |
| C2 | C3 | C14 | H8 | 85.3° | 71.8° |
| C2 | C3 | C14 | H9 | 36.2° | 49.3° |
| C70 | C69 | N70 | H31 | 120.2° | 120.0° |
| C70 | C69 | N70 | H32 | 120.2° | 120.0° |
| C70 | C69 | N70 | C65 | 174.8° | 174.2° |
| C70 | C69 | H31 | H32 | 119.4° | 120.0° |
| C69 | C70 | H33 | H34 | 118.8° | 120.1° |
| C69 | C70 | C71 | H35 | 66.3° | 62.2° |
| O10 | S98 | C10 | H3 | 49.8° | 171.7° |
| O10 | S98 | C10 | H4 | 169.8° | 68.4° |
| O10 | S98 | C10 | H5 | 70.2° | 51.6° |
| N1 | C2 | C20 | C35 | 147.0° | 35.0° |
| N1 | C2 | C20 | C31 | 34.6° | 145.2° |
| C69 | N70 | C65 | C63 | 20.6° | 170.0° |
| C69 | N70 | C65 | H29 | 100.1° | 70.0° |
| C69 | N70 | C65 | H30 | 141.4° | 50.0° |
| N70 | C69 | H31 | H32 | 119.5° | 119.9° |
| N70 | C69 | C70 | H33 | 63.0° | 179.1° |
| N70 | C69 | C70 | H34 | 177.7° | 60.8° |
| C69 | N70 | C73 | H38 | 58.5° | 58.3° |
| C69 | N70 | C73 | H39 | 178.0° | 178.3° |
| C2 | C20 | C35 | C31 | 178.4° | 179.8° |
| C2 | C20 | C35 | C34 | 179.1° | 179.7° |
| C2 | C20 | C31 | C32 | 179.1° | 180.0° |
| C2 | C20 | C31 | H15 | 0.9° | 0.1° |
| C2 | C20 | C35 | H17 | 0.9° | 0.0° |
| N70 | C65 | C63 | H29 | 120.8° | 120.0° |
| N70 | C65 | C63 | H30 | 120.8° | 120.0° |
| N70 | C65 | C63 | S64 | 136.9° | 180.0° |
| N70 | C65 | C63 | H27 | 16.7° | 60.0° |
| N70 | C65 | C63 | H28 | 103.0° | 60.0° |
| N70 | C65 | H29 | H30 | 117.6° | 119.9° |
| C65 | N70 | C69 | H31 | 54.6° | 54.1° |
| C65 | N70 | C69 | H32 | 65.0° | 65.8° |
| C65 | N70 | C73 | H38 | 66.1° | 65.8° |
| C65 | N70 | C73 | H39 | 53.4° | 54.1° |
| C65 | C63 | S64 | H27 | 120.1° | 119.9° |
| C65 | C63 | S64 | H28 | 120.1° | 119.9° |
| C65 | C63 | S64 | C34 | 58.0° | 180.0° |
| C65 | C63 | H27 | H28 | 119.7° | 119.9° |
| C63 | C65 | H29 | H30 | 117.6° | 120.0° |
| C20 | C35 | C34 | H17 | 180.0° | 179.8° |
| C35 | C20 | C31 | C32 | 0.7° | 0.2° |
| C20 | C35 | C34 | S64 | 179.7° | 179.7° |
| C20 | C35 | C34 | C33 | 0.2° | 0.5° |
| C35 | C20 | C31 | H15 | 179.3° | 179.7° |
| C31 | C20 | C35 | C34 | 0.7° | 0.5° |
| C20 | C31 | C32 | H15 | 180.0° | 179.9° |
| C20 | C31 | C32 | C33 | 0.2° | 0.1° |
| C20 | C31 | C32 | H16 | 179.9° | 180.0° |
| C31 | C20 | C35 | H17 | 179.3° | 179.8° |
| C63 | S64 | C34 | C35 | 36.5° | 0.2° |
| C63 | S64 | C34 | C33 | 143.4° | 180.0° |
| S64 | C63 | H27 | H28 | 119.7° | 120.1° |
| S64 | C63 | C65 | H29 | 102.4° | 60.0° |
| S64 | C63 | C65 | H30 | 16.1° | 60.0° |
| C35 | C34 | S64 | C33 | 179.9° | 179.8° |
| C35 | C34 | C33 | C32 | 0.2° | 0.2° |
| C35 | C34 | C33 | C53 | 179.4° | 179.7° |
| C31 | C32 | C33 | C34 | 0.3° | 0.1° |
| C31 | C32 | C33 | H16 | 180.0° | 179.9° |
| C31 | C32 | C33 | C53 | 179.4° | 180.0° |
| S64 | C34 | C33 | C32 | 179.8° | 180.0° |
| S64 | C34 | C33 | C53 | 0.7° | 0.1° |
| S64 | C34 | C35 | H17 | 0.3° | 0.1° |
| C34 | S64 | C63 | H27 | 178.1° | 60.1° |
| C34 | S64 | C63 | H28 | 62.1° | 60.1° |
| C34 | C33 | C32 | C53 | 179.2° | 179.9° |
| C34 | C33 | C53 | F58 | 76.0° | 60.0° |
| C34 | C33 | C53 | F60 | 44.6° | 180.0° |
| C34 | C33 | C53 | F62 | 162.2° | 60.0° |
| C34 | C33 | C32 | H16 | 179.7° | 180.0° |
| C33 | C34 | C35 | H17 | 179.8° | 179.7° |
| C32 | C33 | C53 | F58 | 104.9° | 120.0° |
| C32 | C33 | C53 | F60 | 134.5° | 0.0° |
| C32 | C33 | C53 | F62 | 16.9° | 120.0° |
| C33 | C32 | C31 | H15 | 179.8° | 180.0° |
| C33 | C53 | F58 | F60 | 123.4° | 120.0° |
| C33 | C53 | F58 | F62 | 124.5° | 120.0° |
| C33 | C53 | F60 | F62 | 121.8° | 120.0° |
| C53 | C33 | C32 | H16 | 0.5° | 0.0° |
| F58 | C53 | F60 | F62 | 113.6° | 120.0° |
| H1 | C11 | C12 | H6 | 155.9° | 45.5° |
| H1 | C11 | C12 | H7 | 36.0° | 165.7° |
| H2 | C11 | C12 | H6 | 35.9° | 74.9° |
| H2 | C11 | C12 | H7 | 84.0° | 45.3° |
| H3 | C10 | H4 | H5 | 120.0° | 120.0° |
| H10 | C22 | C24 | H12 | 46.4° | 175.0° |
| H11 | C22 | C24 | H12 | 72.6° | 65.0° |
| H12 | C24 | C28 | H13 | 69.1° | 177.4° |
| H12 | C24 | C28 | H14 | 171.7° | 62.6° |
| H12 | C24 | O28 | H50 | 62.2° | 179.9° |
| H15 | C31 | C32 | H16 | 0.1° | 0.0° |
| H18 | C42 | C43 | H20 | 55.8° | 60.9° |
| H18 | C42 | C43 | H21 | 63.9° | 59.2° |
| H19 | C42 | C43 | H20 | 175.0° | 59.1° |
| H19 | C42 | C43 | H21 | 55.3° | 179.2° |
| H20 | C43 | C44 | H22 | 178.0° | 57.7° |
| H21 | C43 | C44 | H22 | 58.3° | 177.8° |
| H22 | C44 | C45 | H23 | 59.5° | 57.7° |
| H22 | C44 | C45 | H24 | 179.4° | 177.8° |
| H23 | C45 | C46 | H25 | 58.4° | 59.1° |
| H23 | C45 | C46 | H26 | 61.0° | 60.9° |
| H24 | C45 | C46 | H25 | 178.2° | 179.2° |
| H24 | C45 | C46 | H26 | 58.8° | 59.2° |
| H27 | C63 | C65 | H29 | 137.5° | 60.0° |
| H27 | C63 | C65 | H30 | 104.0° | 180.0° |
| H28 | C63 | C65 | H29 | 17.7° | 180.0° |
| H28 | C63 | C65 | H30 | 136.2° | 60.0° |
| H31 | C69 | C70 | H33 | 57.2° | 60.9° |
| H31 | C69 | C70 | H34 | 62.1° | 59.2° |
| H32 | C69 | C70 | H33 | 176.8° | 59.1° |
| H32 | C69 | C70 | H34 | 57.6° | 179.2° |
| H33 | C70 | C71 | H35 | 173.4° | 57.7° |
| H34 | C70 | C71 | H35 | 54.1° | 177.8° |
| H35 | C71 | C72 | H36 | 53.9° | 57.7° |
| H35 | C71 | C72 | H37 | 173.2° | 177.8° |
| H35 | C71 | C80 | H40 | 61.8° | 60.1° |
| H35 | C71 | C80 | H41 | 178.2° | 59.9° |
| H35 | C71 | C80 | H42 | 58.2° | 179.8° |
| H36 | C72 | C73 | H38 | 57.3° | 59.1° |
| H36 | C72 | C73 | H39 | 62.2° | 60.9° |
| H37 | C72 | C73 | H38 | 176.6° | 179.2° |
| H37 | C72 | C73 | H39 | 57.1° | 59.3° |
| H40 | C80 | H41 | H42 | 120.0° | 120.1° |
| H43 | C84 | C85 | H45 | 152.2° | 97.4° |
| H44 | C84 | C85 | H45 | 30.1° | 24.5° |
| H45 | C85 | C86 | H46 | 152.3° | 24.2° |
| H45 | C85 | C86 | H47 | 30.4° | 98.4° |
| H45 | C85 | O98 | H51 | 57.7° | 56.2° |
