B8S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| CL12 | C1 | sing | 1.74Å | 1.74Å | |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | N13 | sing | 1.39Å | 1.40Å | |
| C4 | C3 | doub | 1.40Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C94 | N13 | sing | 1.47Å | 1.44Å | |
| N13 | C14 | sing | 1.35Å | 1.38Å | |
| C3 | N15 | sing | 1.39Å | 1.38Å | |
| N15 | C14 | sing | 1.35Å | 1.39Å | |
| N15 | C20 | sing | 1.46Å | 1.46Å | |
| C14 | O90 | doub | 1.22Å | 1.21Å | |
| C20 | C26 | sing | 1.53Å | 1.52Å | |
| C20 | C22 | sing | 1.53Å | 1.51Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| N24 | C23 | sing | 1.47Å | 1.47Å | |
| N24 | C25 | sing | 1.47Å | 1.50Å | |
| N24 | C33 | sing | 1.47Å | 1.49Å | |
| C33 | C35 | sing | 1.53Å | 1.51Å | |
| F84 | C75 | sing | 1.35Å | 1.36Å | |
| C35 | C37 | sing | 1.53Å | 1.50Å | |
| C76 | C75 | doub | 1.39Å | 1.36Å | Aromatic |
| C76 | C77 | sing | 1.38Å | 1.38Å | Aromatic |
| C75 | C74 | sing | 1.39Å | 1.37Å | Aromatic |
| C37 | N39 | sing | 1.46Å | 1.45Å | |
| C77 | C71 | doub | 1.40Å | 1.39Å | Aromatic |
| C74 | C73 | doub | 1.38Å | 1.38Å | Aromatic |
| O88 | C41 | doub | 1.22Å | 1.22Å | |
| N39 | C41 | sing | 1.35Å | 1.41Å | |
| N39 | N45 | sing | 1.28Å | 1.36Å | |
| C41 | C42 | sing | 1.42Å | 1.46Å | |
| N45 | C44 | doub | 1.30Å | 1.30Å | |
| C71 | C73 | sing | 1.40Å | 1.39Å | Aromatic |
| C71 | C69 | sing | 1.48Å | 1.49Å | |
| C44 | C43 | sing | 1.40Å | 1.39Å | |
| C42 | C43 | doub | 1.39Å | 1.38Å | |
| C42 | C52 | sing | 1.48Å | 1.48Å | |
| C69 | N67 | sing | 1.35Å | 1.34Å | |
| C69 | O86 | doub | 1.22Å | 1.23Å | |
| C52 | C54 | doub | 1.39Å | 1.39Å | Aromatic |
| C52 | C58 | sing | 1.40Å | 1.40Å | Aromatic |
| N67 | C65 | sing | 1.47Å | 1.46Å | |
| C54 | C55 | sing | 1.38Å | 1.38Å | Aromatic |
| C58 | C57 | doub | 1.38Å | 1.39Å | Aromatic |
| C55 | C56 | doub | 1.38Å | 1.38Å | Aromatic |
| C57 | C56 | sing | 1.38Å | 1.40Å | Aromatic |
| C57 | C65 | sing | 1.51Å | 1.51Å | |
| C56 | CL16 | sing | 1.74Å | 1.72Å | |
| C94 | H1 | sing | 1.09Å | 1.10Å | |
| C94 | H2 | sing | 1.09Å | 1.10Å | |
| C94 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C33 | H13 | sing | 1.09Å | 1.10Å | |
| C33 | H14 | sing | 1.09Å | 1.10Å | |
| C35 | H15 | sing | 1.09Å | 1.10Å | |
| C35 | H16 | sing | 1.09Å | 1.10Å | |
| C37 | H17 | sing | 1.09Å | 1.10Å | |
| C37 | H18 | sing | 1.09Å | 1.10Å | |
| C44 | H19 | sing | 1.08Å | 1.08Å | |
| C43 | H20 | sing | 1.08Å | 1.08Å | |
| C54 | H21 | sing | 1.08Å | 1.08Å | |
| C55 | H22 | sing | 1.08Å | 1.08Å | |
| C58 | H23 | sing | 1.08Å | 1.08Å | |
| C65 | H24 | sing | 1.09Å | 1.10Å | |
| C65 | H25 | sing | 1.09Å | 1.10Å | |
| N67 | H26 | sing | 0.97Å | 1.00Å | |
| C77 | H27 | sing | 1.08Å | 1.08Å | |
| C76 | H28 | sing | 1.08Å | 1.08Å | |
| C74 | H29 | sing | 1.08Å | 1.08Å | |
| C73 | H30 | sing | 1.08Å | 1.08Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C6 | C1 | 119.7° | 120.2° |
| C6 | C5 | C4 | 118.2° | 119.9° |
| C5 | C6 | H5 | 120.1° | 119.9° |
| C6 | C5 | H6 | 120.9° | 120.1° |
| C6 | C1 | CL12 | 120.3° | 119.9° |
| C6 | C1 | C2 | 122.0° | 120.3° |
| C1 | C6 | H5 | 120.2° | 119.9° |
| CL12 | C1 | C2 | 117.7° | 119.8° |
| C5 | C4 | N13 | 133.2° | 133.3° |
| C5 | C4 | C3 | 120.2° | 119.9° |
| C4 | C5 | H6 | 120.9° | 120.1° |
| C1 | C2 | C3 | 117.5° | 119.8° |
| C1 | C2 | H4 | 121.2° | 120.1° |
| N13 | C4 | C3 | 106.6° | 106.8° |
| C4 | N13 | C94 | 125.8° | 125.8° |
| C4 | N13 | C14 | 110.1° | 108.4° |
| C4 | C3 | C2 | 122.4° | 119.9° |
| C4 | C3 | N15 | 107.8° | 106.8° |
| C2 | C3 | N15 | 129.8° | 133.3° |
| C3 | C2 | H4 | 121.3° | 120.1° |
| C94 | N13 | C14 | 124.1° | 125.8° |
| N13 | C94 | H1 | 109.5° | 109.5° |
| N13 | C94 | H2 | 109.5° | 109.5° |
| N13 | C94 | H3 | 109.4° | 109.5° |
| N13 | C14 | N15 | 105.1° | 109.6° |
| N13 | C14 | O90 | 127.0° | 125.2° |
| C3 | N15 | C14 | 110.3° | 108.4° |
| C3 | N15 | C20 | 125.5° | 125.8° |
| C14 | N15 | C20 | 124.2° | 125.8° |
| N15 | C14 | O90 | 127.9° | 125.2° |
| N15 | C20 | C26 | 116.5° | 109.5° |
| N15 | C20 | C22 | 111.7° | 109.5° |
| N15 | C20 | H7 | 105.7° | 109.5° |
| C26 | C20 | C22 | 111.7° | 109.2° |
| C20 | C26 | C25 | 109.5° | 109.3° |
| C26 | C20 | H7 | 105.0° | 109.5° |
| C20 | C26 | H33 | 109.5° | 109.6° |
| C20 | C26 | H34 | 109.4° | 109.5° |
| C20 | C22 | C23 | 110.6° | 109.3° |
| C22 | C20 | H7 | 105.2° | 109.6° |
| C20 | C22 | H8 | 109.2° | 109.5° |
| C20 | C22 | H9 | 109.2° | 109.5° |
| C26 | C25 | N24 | 110.9° | 109.5° |
| C26 | C25 | H31 | 109.1° | 109.5° |
| C26 | C25 | H32 | 109.1° | 109.4° |
| C25 | C26 | H33 | 109.4° | 109.5° |
| C25 | C26 | H34 | 109.5° | 109.5° |
| C22 | C23 | N24 | 110.9° | 109.5° |
| C23 | C22 | H8 | 109.2° | 109.5° |
| C23 | C22 | H9 | 109.2° | 109.5° |
| C22 | C23 | H10 | 109.1° | 109.4° |
| C22 | C23 | H11 | 109.1° | 109.4° |
| C23 | N24 | C25 | 109.7° | 111.3° |
| C23 | N24 | C33 | 111.7° | 111.0° |
| N24 | C23 | H10 | 109.1° | 109.5° |
| N24 | C23 | H11 | 109.1° | 109.5° |
| C25 | N24 | C33 | 116.4° | 111.0° |
| N24 | C25 | H31 | 109.1° | 109.5° |
| N24 | C25 | H32 | 109.1° | 109.5° |
| N24 | C33 | C35 | 116.4° | 109.5° |
| N24 | C33 | H13 | 107.7° | 109.5° |
| N24 | C33 | H14 | 107.7° | 109.4° |
| C33 | C35 | C37 | 112.1° | 109.5° |
| C35 | C33 | H13 | 107.7° | 109.5° |
| C35 | C33 | H14 | 107.7° | 109.4° |
| C33 | C35 | H15 | 108.8° | 109.4° |
| C33 | C35 | H16 | 108.8° | 109.5° |
| F84 | C75 | C76 | 118.5° | 119.9° |
| F84 | C75 | C74 | 118.7° | 119.9° |
| C35 | C37 | N39 | 110.7° | 109.5° |
| C37 | C35 | H15 | 108.8° | 109.4° |
| C37 | C35 | H16 | 108.8° | 109.5° |
| C35 | C37 | H17 | 109.2° | 109.4° |
| C35 | C37 | H18 | 109.2° | 109.5° |
| C75 | C76 | C77 | 118.4° | 120.1° |
| C76 | C75 | C74 | 122.8° | 120.2° |
| C75 | C76 | H28 | 120.8° | 119.9° |
| C76 | C77 | C71 | 121.0° | 119.9° |
| C76 | C77 | H27 | 119.5° | 120.0° |
| C77 | C76 | H28 | 120.8° | 119.9° |
| C75 | C74 | C73 | 118.7° | 120.1° |
| C75 | C74 | H29 | 120.7° | 120.0° |
| C37 | N39 | C41 | 120.4° | 119.1° |
| C37 | N39 | N45 | 113.6° | 119.0° |
| N39 | C37 | H17 | 109.2° | 109.5° |
| N39 | C37 | H18 | 109.2° | 109.5° |
| C77 | C71 | C73 | 118.7° | 119.7° |
| C77 | C71 | C69 | 122.6° | 120.1° |
| C71 | C77 | H27 | 119.5° | 120.1° |
| C74 | C73 | C71 | 120.5° | 119.9° |
| C73 | C74 | H29 | 120.7° | 119.9° |
| C74 | C73 | H30 | 119.8° | 120.1° |
| O88 | C41 | N39 | 120.4° | 120.5° |
| O88 | C41 | C42 | 125.2° | 120.4° |
| C41 | N39 | N45 | 126.0° | 121.9° |
| N39 | C41 | C42 | 114.4° | 119.1° |
| N39 | N45 | C44 | 115.8° | 122.9° |
| C41 | C42 | C43 | 119.4° | 117.4° |
| C41 | C42 | C52 | 120.3° | 121.3° |
| N45 | C44 | C43 | 125.9° | 120.6° |
| N45 | C44 | H19 | 117.0° | 119.7° |
| C73 | C71 | C69 | 118.7° | 120.1° |
| C71 | C73 | H30 | 119.8° | 120.0° |
| C71 | C69 | N67 | 117.0° | 120.0° |
| C71 | C69 | O86 | 120.2° | 120.0° |
| C44 | C43 | C42 | 118.5° | 118.1° |
| C43 | C44 | H19 | 117.0° | 119.7° |
| C44 | C43 | H20 | 120.8° | 121.0° |
| C43 | C42 | C52 | 120.3° | 121.3° |
| C42 | C43 | H20 | 120.7° | 120.9° |
| C42 | C52 | C54 | 121.5° | 120.1° |
| C42 | C52 | C58 | 119.5° | 120.1° |
| N67 | C69 | O86 | 122.8° | 120.1° |
| C69 | N67 | C65 | 123.2° | 120.0° |
| C69 | N67 | H26 | 118.4° | 120.1° |
| C54 | C52 | C58 | 119.0° | 119.8° |
| C52 | C54 | C55 | 120.2° | 119.9° |
| C52 | C54 | H21 | 119.9° | 120.1° |
| C52 | C58 | C57 | 122.0° | 119.8° |
| C52 | C58 | H23 | 119.0° | 120.0° |
| N67 | C65 | C57 | 112.4° | 109.5° |
| N67 | C65 | H24 | 108.8° | 109.5° |
| N67 | C65 | H25 | 108.8° | 109.5° |
| C65 | N67 | H26 | 118.4° | 120.0° |
| C54 | C55 | C56 | 119.6° | 120.1° |
| C55 | C54 | H21 | 119.9° | 120.1° |
| C54 | C55 | H22 | 120.2° | 119.9° |
| C58 | C57 | C56 | 117.1° | 120.2° |
| C58 | C57 | C65 | 120.3° | 119.9° |
| C57 | C58 | H23 | 119.0° | 120.1° |
| C55 | C56 | C57 | 122.1° | 120.2° |
| C55 | C56 | CL16 | 117.6° | 119.9° |
| C56 | C55 | H22 | 120.2° | 119.9° |
| C56 | C57 | C65 | 122.6° | 119.9° |
| C57 | C56 | CL16 | 120.3° | 119.9° |
| C57 | C65 | H24 | 108.7° | 109.4° |
| C57 | C65 | H25 | 108.7° | 109.5° |
| H1 | C94 | H2 | 109.4° | 109.4° |
| H1 | C94 | H3 | 109.5° | 109.5° |
| H2 | C94 | H3 | 109.5° | 109.4° |
| H8 | C22 | H9 | 109.5° | 109.5° |
| H10 | C23 | H11 | 109.5° | 109.5° |
| H13 | C33 | H14 | 109.5° | 109.5° |
| H15 | C35 | H16 | 109.4° | 109.5° |
| H17 | C37 | H18 | 109.5° | 109.4° |
| H24 | C65 | H25 | 109.5° | 109.5° |
| H31 | C25 | H32 | 109.5° | 109.5° |
| H33 | C26 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C6 | C1 | H5 | 180.0° | 179.7° |
| C5 | C6 | C1 | CL12 | 179.9° | 180.0° |
| C6 | C5 | C4 | H6 | 180.0° | 179.8° |
| C5 | C6 | C1 | C2 | 0.1° | 0.0° |
| C6 | C5 | C4 | N13 | 180.0° | 179.6° |
| C6 | C5 | C4 | C3 | 0.0° | 0.5° |
| C6 | C1 | CL12 | C2 | 179.9° | 180.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.2° |
| C6 | C1 | C2 | C3 | 0.0° | 0.0° |
| C6 | C1 | C2 | H4 | 180.0° | 180.0° |
| C1 | C6 | C5 | H6 | 179.9° | 180.0° |
| CL12 | C1 | C2 | C3 | 179.8° | 180.0° |
| CL12 | C1 | C2 | H4 | 0.2° | 0.0° |
| CL12 | C1 | C6 | H5 | 0.1° | 0.3° |
| C5 | C4 | N13 | C3 | 180.0° | 179.2° |
| C5 | C4 | C3 | C2 | 0.1° | 0.5° |
| C5 | C4 | N13 | C94 | 0.2° | 0.7° |
| C5 | C4 | N13 | C14 | 179.9° | 179.6° |
| C5 | C4 | C3 | N15 | 179.6° | 179.7° |
| C4 | C5 | C6 | H5 | 179.9° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.3° |
| C1 | C2 | C3 | H4 | 180.0° | 179.9° |
| C1 | C2 | C3 | N15 | 179.5° | 180.0° |
| C2 | C1 | C6 | H5 | 179.9° | 179.7° |
| N13 | C4 | C3 | C2 | 179.9° | 179.8° |
| C4 | N13 | C94 | C14 | 179.7° | 179.6° |
| N13 | C4 | C3 | N15 | 0.4° | 0.4° |
| C4 | N13 | C14 | N15 | 0.2° | 0.3° |
| C4 | N13 | C14 | O90 | 180.0° | 179.8° |
| C4 | N13 | C94 | H1 | 180.0° | 179.7° |
| C4 | N13 | C94 | H2 | 60.0° | 60.3° |
| C4 | N13 | C94 | H3 | 60.0° | 59.6° |
| N13 | C4 | C5 | H6 | 0.0° | 0.6° |
| C4 | C3 | C2 | N15 | 179.6° | 179.8° |
| C3 | C4 | N13 | C94 | 179.9° | 179.9° |
| C3 | C4 | N13 | C14 | 0.1° | 0.4° |
| C4 | C3 | N15 | C14 | 0.6° | 0.2° |
| C4 | C3 | N15 | C20 | 179.2° | 179.8° |
| C4 | C3 | C2 | H4 | 179.9° | 179.8° |
| C3 | C4 | C5 | H6 | 180.0° | 179.7° |
| C2 | C3 | N15 | C14 | 179.8° | 180.0° |
| C2 | C3 | N15 | C20 | 1.2° | 0.0° |
| C94 | N13 | C14 | N15 | 179.6° | 180.0° |
| C94 | N13 | C14 | O90 | 0.2° | 0.2° |
| N13 | C94 | H1 | H2 | 120.0° | 120.0° |
| N13 | C94 | H1 | H3 | 120.0° | 120.0° |
| N13 | C94 | H2 | H3 | 120.0° | 120.0° |
| N13 | C14 | N15 | C3 | 0.5° | 0.1° |
| N13 | C14 | N15 | O90 | 179.8° | 179.9° |
| N13 | C14 | N15 | C20 | 179.1° | 180.0° |
| C14 | N13 | C94 | H1 | 0.3° | 0.1° |
| C14 | N13 | C94 | H2 | 120.2° | 120.1° |
| C14 | N13 | C94 | H3 | 119.7° | 120.0° |
| C3 | N15 | C14 | C20 | 178.6° | 180.0° |
| C3 | N15 | C14 | O90 | 179.8° | 179.9° |
| C3 | N15 | C20 | C26 | 119.7° | 166.4° |
| C3 | N15 | C20 | C22 | 110.3° | 46.7° |
| N15 | C3 | C2 | H4 | 0.5° | 0.0° |
| C3 | N15 | C20 | H7 | 3.5° | 73.5° |
| C14 | N15 | C20 | C26 | 61.9° | 13.7° |
| C14 | N15 | C20 | C22 | 68.1° | 133.4° |
| C14 | N15 | C20 | H7 | 178.1° | 106.4° |
| C20 | N15 | C14 | O90 | 1.2° | 0.1° |
| N15 | C20 | C26 | C22 | 130.0° | 119.9° |
| N15 | C20 | C26 | H7 | 116.5° | 120.1° |
| N15 | C20 | C22 | H7 | 114.1° | 120.2° |
| N15 | C20 | C26 | C25 | 176.2° | 62.3° |
| N15 | C20 | C22 | C23 | 172.9° | 62.2° |
| N15 | C20 | C22 | H8 | 52.8° | 177.8° |
| N15 | C20 | C22 | H9 | 66.9° | 57.7° |
| N15 | C20 | C26 | H33 | 63.9° | 57.7° |
| N15 | C20 | C26 | H34 | 56.1° | 177.9° |
| C26 | C20 | C22 | H7 | 113.4° | 119.9° |
| C20 | C26 | C25 | H33 | 120.0° | 120.0° |
| C20 | C26 | C25 | H34 | 120.0° | 119.9° |
| C26 | C20 | C22 | C23 | 54.6° | 57.7° |
| C20 | C26 | C25 | N24 | 3.0° | 59.1° |
| C26 | C20 | C22 | H8 | 174.8° | 62.3° |
| C26 | C20 | C22 | H9 | 65.6° | 177.6° |
| C20 | C26 | C25 | H31 | 117.2° | 179.2° |
| C20 | C26 | C25 | H32 | 123.2° | 60.8° |
| C20 | C26 | H33 | H34 | 120.0° | 120.1° |
| C22 | C20 | C26 | C25 | 53.8° | 57.7° |
| C20 | C22 | C23 | H8 | 120.2° | 120.0° |
| C20 | C22 | C23 | H9 | 120.1° | 119.9° |
| C20 | C22 | C23 | N24 | 2.8° | 59.2° |
| C20 | C22 | H8 | H9 | 119.5° | 120.1° |
| C20 | C22 | C23 | H10 | 123.0° | 179.2° |
| C20 | C22 | C23 | H11 | 117.4° | 60.8° |
| C22 | C20 | C26 | H33 | 66.2° | 177.6° |
| C22 | C20 | C26 | H34 | 173.8° | 62.2° |
| C26 | C25 | N24 | C23 | 60.3° | 61.7° |
| C26 | C25 | N24 | H31 | 120.2° | 120.0° |
| C26 | C25 | N24 | H32 | 120.2° | 119.9° |
| C26 | C25 | N24 | C33 | 171.6° | 174.2° |
| C25 | C26 | C20 | H7 | 59.7° | 177.6° |
| C26 | C25 | H31 | H32 | 119.4° | 119.9° |
| C25 | C26 | H33 | H34 | 120.0° | 120.0° |
| C22 | C23 | N24 | H10 | 120.2° | 120.0° |
| C22 | C23 | N24 | H11 | 120.2° | 120.0° |
| C22 | C23 | N24 | C25 | 60.1° | 61.7° |
| C22 | C23 | N24 | C33 | 169.3° | 174.1° |
| C23 | C22 | C20 | H7 | 58.8° | 177.6° |
| C23 | C22 | H8 | H9 | 119.5° | 120.1° |
| C22 | C23 | H10 | H11 | 119.4° | 119.9° |
| C23 | N24 | C25 | C33 | 128.1° | 124.1° |
| C23 | N24 | C33 | C35 | 113.2° | 170.0° |
| N24 | C23 | C22 | H8 | 117.3° | 60.8° |
| N24 | C23 | C22 | H9 | 123.0° | 179.1° |
| N24 | C23 | H10 | H11 | 119.3° | 120.0° |
| C23 | N24 | C33 | H13 | 125.8° | 49.9° |
| C23 | N24 | C33 | H14 | 7.8° | 70.1° |
| C23 | N24 | C25 | H31 | 59.9° | 178.2° |
| C23 | N24 | C25 | H32 | 179.5° | 58.2° |
| C25 | N24 | C33 | C35 | 13.9° | 65.7° |
| C25 | N24 | C23 | H10 | 179.7° | 178.3° |
| C25 | N24 | C23 | H11 | 60.1° | 58.2° |
| C25 | N24 | C33 | H13 | 107.1° | 174.2° |
| C25 | N24 | C33 | H14 | 134.9° | 54.2° |
| N24 | C25 | H31 | H32 | 119.3° | 120.0° |
| N24 | C25 | C26 | H33 | 123.0° | 179.1° |
| N24 | C25 | C26 | H34 | 117.0° | 60.8° |
| N24 | C33 | C35 | H13 | 121.0° | 120.0° |
| N24 | C33 | C35 | H14 | 121.0° | 119.9° |
| N24 | C33 | C35 | C37 | 148.5° | 179.9° |
| C33 | N24 | C23 | H10 | 49.0° | 54.1° |
| C33 | N24 | C23 | H11 | 70.5° | 65.9° |
| N24 | C33 | H13 | H14 | 116.8° | 120.0° |
| N24 | C33 | C35 | H15 | 28.1° | 60.0° |
| N24 | C33 | C35 | H16 | 91.1° | 60.0° |
| C33 | N24 | C25 | H31 | 68.2° | 54.1° |
| C33 | N24 | C25 | H32 | 51.4° | 65.9° |
| C33 | C35 | C37 | H15 | 120.4° | 119.9° |
| C33 | C35 | C37 | H16 | 120.4° | 120.0° |
| C33 | C35 | C37 | N39 | 117.0° | 180.0° |
| C35 | C33 | H13 | H14 | 116.9° | 120.0° |
| C33 | C35 | H15 | H16 | 118.8° | 120.0° |
| C33 | C35 | C37 | H17 | 122.8° | 60.0° |
| C33 | C35 | C37 | H18 | 3.2° | 60.0° |
| F84 | C75 | C76 | C74 | 180.0° | 180.0° |
| F84 | C75 | C76 | C77 | 179.8° | 180.0° |
| F84 | C75 | C74 | C73 | 179.9° | 180.0° |
| F84 | C75 | C76 | H28 | 0.2° | 0.0° |
| F84 | C75 | C74 | H29 | 0.1° | 0.0° |
| C35 | C37 | N39 | H17 | 120.2° | 120.0° |
| C35 | C37 | N39 | H18 | 120.2° | 120.1° |
| C35 | C37 | N39 | C41 | 109.9° | 90.0° |
| C35 | C37 | N39 | N45 | 69.5° | 89.7° |
| C37 | C35 | C33 | H13 | 90.5° | 60.0° |
| C37 | C35 | C33 | H14 | 27.5° | 60.0° |
| C37 | C35 | H15 | H16 | 118.8° | 120.1° |
| C35 | C37 | H17 | H18 | 119.4° | 120.0° |
| C75 | C76 | C77 | H28 | 180.0° | 180.0° |
| C75 | C76 | C77 | C71 | 0.1° | 0.0° |
| C76 | C75 | C74 | C73 | 0.1° | 0.0° |
| C75 | C76 | C77 | H27 | 179.9° | 180.0° |
| C76 | C75 | C74 | H29 | 179.9° | 180.0° |
| C77 | C76 | C75 | C74 | 0.2° | 0.0° |
| C76 | C77 | C71 | H27 | 180.0° | 180.0° |
| C76 | C77 | C71 | C73 | 0.1° | 0.0° |
| C76 | C77 | C71 | C69 | 179.4° | 179.7° |
| C75 | C74 | C73 | H29 | 180.0° | 180.0° |
| C75 | C74 | C73 | C71 | 0.1° | 0.0° |
| C74 | C75 | C76 | H28 | 179.8° | 180.0° |
| C75 | C74 | C73 | H30 | 179.9° | 179.7° |
| C37 | N39 | C41 | O88 | 0.4° | 0.0° |
| C37 | N39 | C41 | N45 | 179.3° | 179.7° |
| C37 | N39 | C41 | C42 | 179.6° | 179.8° |
| C37 | N39 | N45 | C44 | 179.8° | 180.0° |
| N39 | C37 | C35 | H15 | 3.4° | 60.1° |
| N39 | C37 | C35 | H16 | 122.6° | 60.0° |
| N39 | C37 | H17 | H18 | 119.4° | 120.0° |
| C77 | C71 | C73 | C74 | 0.2° | 0.0° |
| C77 | C71 | C73 | C69 | 179.5° | 179.7° |
| C77 | C71 | C69 | N67 | 23.7° | 0.3° |
| C77 | C71 | C69 | O86 | 157.5° | 179.7° |
| C71 | C77 | C76 | H28 | 179.9° | 180.0° |
| C77 | C71 | C73 | H30 | 179.8° | 179.7° |
| C74 | C73 | C71 | H30 | 180.0° | 179.8° |
| C74 | C73 | C71 | C69 | 179.3° | 179.7° |
| O88 | C41 | N39 | C42 | 180.0° | 179.8° |
| O88 | C41 | N39 | N45 | 179.7° | 179.7° |
| O88 | C41 | C42 | C43 | 179.9° | 179.7° |
| O88 | C41 | C42 | C52 | 0.2° | 0.1° |
| C41 | N39 | N45 | C44 | 0.4° | 0.3° |
| N39 | C41 | C42 | C43 | 0.1° | 0.4° |
| N39 | C41 | C42 | C52 | 179.8° | 179.8° |
| C41 | N39 | C37 | H17 | 129.9° | 30.0° |
| C41 | N39 | C37 | H18 | 10.3° | 150.0° |
| N45 | N39 | C41 | C42 | 0.3° | 0.5° |
| N39 | N45 | C44 | C43 | 0.2° | 0.1° |
| N45 | N39 | C37 | H17 | 50.7° | 150.3° |
| N45 | N39 | C37 | H18 | 170.3° | 30.3° |
| N39 | N45 | C44 | H19 | 179.8° | 180.0° |
| C41 | C42 | C43 | C44 | 0.3° | 0.2° |
| C41 | C42 | C43 | C52 | 179.7° | 179.8° |
| C41 | C42 | C52 | C54 | 42.3° | 64.8° |
| C41 | C42 | C52 | C58 | 138.5° | 114.9° |
| C41 | C42 | C43 | H20 | 179.7° | 179.8° |
| N45 | C44 | C43 | H19 | 180.0° | 179.9° |
| N45 | C44 | C43 | C42 | 0.2° | 0.0° |
| N45 | C44 | C43 | H20 | 179.8° | 180.0° |
| C73 | C71 | C69 | N67 | 155.8° | 180.0° |
| C73 | C71 | C69 | O86 | 23.0° | 0.1° |
| C73 | C71 | C77 | H27 | 179.9° | 180.0° |
| C71 | C73 | C74 | H29 | 179.9° | 180.0° |
| C71 | C69 | N67 | O86 | 178.8° | 180.0° |
| C71 | C69 | N67 | C65 | 179.6° | 179.9° |
| C71 | C69 | N67 | H26 | 0.3° | 0.0° |
| C69 | C71 | C77 | H27 | 0.6° | 0.3° |
| C69 | C71 | C73 | H30 | 0.7° | 0.0° |
| C44 | C43 | C42 | H20 | 180.0° | 180.0° |
| C44 | C43 | C42 | C52 | 180.0° | 180.0° |
| C43 | C42 | C52 | C54 | 137.4° | 115.0° |
| C43 | C42 | C52 | C58 | 41.8° | 65.3° |
| C42 | C43 | C44 | H19 | 179.8° | 179.9° |
| C42 | C52 | C54 | C58 | 179.2° | 179.7° |
| C42 | C52 | C54 | C55 | 179.4° | 179.9° |
| C42 | C52 | C58 | C57 | 179.3° | 179.8° |
| C52 | C42 | C43 | H20 | 0.1° | 0.0° |
| C42 | C52 | C54 | H21 | 0.6° | 0.0° |
| C42 | C52 | C58 | H23 | 0.7° | 0.0° |
| C69 | N67 | C65 | H26 | 180.0° | 179.9° |
| C69 | N67 | C65 | C57 | 149.1° | 180.0° |
| C69 | N67 | C65 | H24 | 90.5° | 60.1° |
| C69 | N67 | C65 | H25 | 28.7° | 60.0° |
| O86 | C69 | N67 | C65 | 0.8° | 0.0° |
| O86 | C69 | N67 | H26 | 179.1° | 179.9° |
| C52 | C54 | C55 | H21 | 180.0° | 179.9° |
| C54 | C52 | C58 | C57 | 0.0° | 0.5° |
| C52 | C54 | C55 | C56 | 0.1° | 0.0° |
| C52 | C54 | C55 | H22 | 179.9° | 180.0° |
| C54 | C52 | C58 | H23 | 180.0° | 179.8° |
| C58 | C52 | C54 | C55 | 0.1° | 0.2° |
| C52 | C58 | C57 | H23 | 180.0° | 179.7° |
| C52 | C58 | C57 | C56 | 0.0° | 0.5° |
| C52 | C58 | C57 | C65 | 180.0° | 179.7° |
| C58 | C52 | C54 | H21 | 179.9° | 179.7° |
| N67 | C65 | C57 | C58 | 66.9° | 105.3° |
| N67 | C65 | C57 | C56 | 113.1° | 75.0° |
| N67 | C65 | C57 | H24 | 120.4° | 120.0° |
| N67 | C65 | C57 | H25 | 120.4° | 120.1° |
| N67 | C65 | H24 | H25 | 118.7° | 120.1° |
| C54 | C55 | C56 | H22 | 180.0° | 180.0° |
| C54 | C55 | C56 | C57 | 0.1° | 0.0° |
| C54 | C55 | C56 | CL16 | 179.9° | 180.0° |
| C58 | C57 | C56 | C55 | 0.0° | 0.3° |
| C58 | C57 | C56 | C65 | 180.0° | 179.7° |
| C58 | C57 | C56 | CL16 | 179.9° | 179.7° |
| C58 | C57 | C65 | H24 | 172.7° | 134.7° |
| C58 | C57 | C65 | H25 | 53.6° | 14.8° |
| C55 | C56 | C57 | CL16 | 179.9° | 180.0° |
| C55 | C56 | C57 | C65 | 180.0° | 180.0° |
| C56 | C55 | C54 | H21 | 179.9° | 180.0° |
| C57 | C56 | C55 | H22 | 179.9° | 180.0° |
| C56 | C57 | C58 | H23 | 180.0° | 179.7° |
| C56 | C57 | C65 | H24 | 7.4° | 45.0° |
| C56 | C57 | C65 | H25 | 126.5° | 164.9° |
| C65 | C57 | C56 | CL16 | 0.1° | 0.0° |
| C65 | C57 | C58 | H23 | 0.0° | 0.0° |
| C57 | C65 | H24 | H25 | 118.6° | 120.0° |
| C57 | C65 | N67 | H26 | 30.9° | 0.1° |
| CL16 | C56 | C55 | H22 | 0.1° | 0.0° |
| H1 | C94 | H2 | H3 | 120.0° | 120.0° |
| H5 | C6 | C5 | H6 | 0.1° | 0.2° |
| H7 | C20 | C22 | H8 | 61.4° | 57.6° |
| H7 | C20 | C22 | H9 | 178.9° | 62.5° |
| H7 | C20 | C26 | H33 | 179.7° | 62.4° |
| H7 | C20 | C26 | H34 | 60.3° | 57.7° |
| H8 | C22 | C23 | H10 | 2.9° | 59.2° |
| H8 | C22 | C23 | H11 | 122.4° | 179.2° |
| H9 | C22 | C23 | H10 | 116.8° | 60.9° |
| H9 | C22 | C23 | H11 | 2.8° | 59.1° |
| H13 | C33 | C35 | H15 | 149.1° | 180.0° |
| H13 | C33 | C35 | H16 | 29.9° | 60.0° |
| H14 | C33 | C35 | H15 | 92.9° | 59.9° |
| H14 | C33 | C35 | H16 | 147.9° | 179.9° |
| H15 | C35 | C37 | H17 | 116.8° | 179.9° |
| H15 | C35 | C37 | H18 | 123.6° | 60.0° |
| H16 | C35 | C37 | H17 | 2.4° | 60.0° |
| H16 | C35 | C37 | H18 | 117.2° | 180.0° |
| H19 | C44 | C43 | H20 | 0.2° | 0.0° |
| H21 | C54 | C55 | H22 | 0.1° | 0.1° |
| H24 | C65 | N67 | H26 | 89.5° | 120.0° |
| H25 | C65 | N67 | H26 | 151.3° | 120.0° |
| H27 | C77 | C76 | H28 | 0.1° | 0.0° |
| H29 | C74 | C73 | H30 | 0.1° | 0.2° |
| H31 | C25 | C26 | H33 | 2.8° | 60.8° |
| H31 | C25 | C26 | H34 | 122.8° | 59.3° |
| H32 | C25 | C26 | H33 | 116.8° | 59.2° |
| H32 | C25 | C26 | H34 | 3.2° | 179.3° |
