B8V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | C31 | sing | 1.53Å | 1.48Å | |
| C30 | C29 | sing | 1.53Å | 1.51Å | |
| C31 | C32 | sing | 1.53Å | 1.50Å | |
| C29 | N29 | sing | 1.47Å | 1.48Å | |
| C32 | C33 | sing | 1.53Å | 1.51Å | |
| C33 | N29 | sing | 1.47Å | 1.47Å | |
| N29 | C25 | sing | 1.47Å | 1.47Å | |
| C25 | C23 | sing | 1.53Å | 1.51Å | |
| C23 | S23 | sing | 1.81Å | 1.82Å | |
| S23 | C3 | sing | 1.76Å | 1.77Å | |
| F21 | C13 | sing | 1.40Å | 1.38Å | |
| F17 | C13 | sing | 1.40Å | 1.38Å | |
| C13 | C4 | sing | 1.51Å | 1.51Å | |
| C13 | F19 | sing | 1.40Å | 1.35Å | |
| C3 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C96 | O94 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| O94 | C83 | sing | 1.36Å | 1.36Å | |
| C84 | C83 | doub | 1.39Å | 1.39Å | Aromatic |
| C84 | C85 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C83 | C81 | sing | 1.39Å | 1.44Å | Aromatic |
| C54 | N53 | sing | 1.47Å | 1.47Å | |
| C54 | C42 | sing | 1.51Å | 1.50Å | |
| C1 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C40 | sing | 1.48Å | 1.49Å | |
| C85 | C86 | doub | 1.38Å | 1.38Å | Aromatic |
| N53 | C52 | sing | 1.47Å | 1.47Å | |
| C73 | C74 | sing | 1.53Å | 1.52Å | |
| C73 | C72 | sing | 1.53Å | 1.52Å | |
| C42 | C40 | sing | 1.40Å | 1.42Å | Aromatic |
| C42 | C43 | doub | 1.36Å | 1.36Å | Aromatic |
| C74 | N68 | sing | 1.47Å | 1.45Å | |
| C40 | N45 | doub | 1.32Å | 1.34Å | Aromatic |
| C81 | C72 | sing | 1.51Å | 1.53Å | |
| C81 | C87 | doub | 1.38Å | 1.39Å | Aromatic |
| C86 | C87 | sing | 1.38Å | 1.39Å | Aromatic |
| C72 | C71 | sing | 1.53Å | 1.53Å | |
| C52 | C51 | sing | 1.54Å | 1.49Å | |
| C43 | C51 | sing | 1.51Å | 1.48Å | |
| C43 | N44 | sing | 1.34Å | 1.36Å | Aromatic |
| N45 | N44 | sing | 1.40Å | 1.37Å | Aromatic |
| O64 | C62 | sing | 1.43Å | 1.44Å | |
| N68 | C70 | sing | 1.47Å | 1.46Å | |
| N68 | C66 | sing | 1.47Å | 1.47Å | |
| C71 | C70 | sing | 1.53Å | 1.54Å | |
| N44 | C60 | sing | 1.46Å | 1.46Å | |
| C66 | C62 | sing | 1.53Å | 1.52Å | |
| C62 | C60 | sing | 1.53Å | 1.52Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C23 | H2 | sing | 1.09Å | 1.10Å | |
| C23 | H3 | sing | 1.09Å | 1.10Å | |
| C25 | H4 | sing | 1.09Å | 1.10Å | |
| C25 | H5 | sing | 1.09Å | 1.10Å | |
| C29 | H6 | sing | 1.09Å | 1.10Å | |
| C29 | H7 | sing | 1.09Å | 1.10Å | |
| C30 | H8 | sing | 1.09Å | 1.10Å | |
| C30 | H9 | sing | 1.09Å | 1.10Å | |
| C31 | H10 | sing | 1.09Å | 1.10Å | |
| C31 | H11 | sing | 1.09Å | 1.10Å | |
| C32 | H12 | sing | 1.09Å | 1.10Å | |
| C32 | H13 | sing | 1.09Å | 1.10Å | |
| C33 | H14 | sing | 1.09Å | 1.10Å | |
| C33 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.08Å | 1.08Å | |
| C51 | H17 | sing | 1.09Å | 1.10Å | |
| C51 | H18 | sing | 1.09Å | 1.10Å | |
| C52 | H19 | sing | 1.09Å | 1.10Å | |
| C52 | H20 | sing | 1.09Å | 1.10Å | |
| C54 | H21 | sing | 1.09Å | 1.10Å | |
| C54 | H22 | sing | 1.09Å | 1.10Å | |
| C6 | H23 | sing | 1.08Å | 1.08Å | |
| C60 | H24 | sing | 1.09Å | 1.10Å | |
| C60 | H25 | sing | 1.09Å | 1.10Å | |
| C62 | H26 | sing | 1.09Å | 1.10Å | |
| C66 | H27 | sing | 1.09Å | 1.10Å | |
| C66 | H28 | sing | 1.09Å | 1.10Å | |
| C70 | H29 | sing | 1.09Å | 1.10Å | |
| C70 | H30 | sing | 1.09Å | 1.10Å | |
| C71 | H31 | sing | 1.09Å | 1.10Å | |
| C71 | H32 | sing | 1.09Å | 1.10Å | |
| C72 | H33 | sing | 1.09Å | 1.10Å | |
| C73 | H34 | sing | 1.09Å | 1.10Å | |
| C73 | H35 | sing | 1.09Å | 1.10Å | |
| C74 | H36 | sing | 1.09Å | 1.10Å | |
| C74 | H37 | sing | 1.09Å | 1.10Å | |
| C84 | H38 | sing | 1.08Å | 1.08Å | |
| C85 | H39 | sing | 1.08Å | 1.08Å | |
| C86 | H40 | sing | 1.08Å | 1.08Å | |
| C87 | H41 | sing | 1.08Å | 1.08Å | |
| C96 | H42 | sing | 1.09Å | 1.10Å | |
| C96 | H43 | sing | 1.09Å | 1.10Å | |
| C96 | H44 | sing | 1.09Å | 1.10Å | |
| N53 | H46 | sing | 1.01Å | 1.00Å | |
| O64 | H49 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C30 | C29 | 111.1° | 109.3° |
| C30 | C31 | C32 | 110.8° | 109.2° |
| C31 | C30 | H8 | 109.1° | 109.4° |
| C31 | C30 | H9 | 109.1° | 109.5° |
| C30 | C31 | H10 | 109.1° | 109.5° |
| C30 | C31 | H11 | 109.2° | 109.5° |
| C30 | C29 | N29 | 113.8° | 109.5° |
| C30 | C29 | H6 | 108.4° | 109.4° |
| C30 | C29 | H7 | 108.4° | 109.5° |
| C29 | C30 | H8 | 109.1° | 109.5° |
| C29 | C30 | H9 | 109.0° | 109.5° |
| C31 | C32 | C33 | 111.3° | 109.3° |
| C32 | C31 | H10 | 109.1° | 109.6° |
| C32 | C31 | H11 | 109.1° | 109.5° |
| C31 | C32 | H12 | 109.1° | 109.5° |
| C31 | C32 | H13 | 109.0° | 109.5° |
| C29 | N29 | C33 | 109.8° | 111.2° |
| C29 | N29 | C25 | 110.2° | 111.0° |
| N29 | C29 | H6 | 108.4° | 109.5° |
| N29 | C29 | H7 | 108.3° | 109.4° |
| C32 | C33 | N29 | 113.6° | 109.5° |
| C33 | C32 | H12 | 109.0° | 109.5° |
| C33 | C32 | H13 | 109.0° | 109.5° |
| C32 | C33 | H14 | 108.5° | 109.4° |
| C32 | C33 | H15 | 108.4° | 109.4° |
| C33 | N29 | C25 | 109.8° | 111.0° |
| N29 | C33 | H14 | 108.4° | 109.5° |
| N29 | C33 | H15 | 108.4° | 109.5° |
| N29 | C25 | C23 | 114.3° | 109.5° |
| N29 | C25 | H4 | 108.2° | 109.5° |
| N29 | C25 | H5 | 108.2° | 109.5° |
| C25 | C23 | S23 | 110.4° | 109.5° |
| C25 | C23 | H2 | 109.2° | 109.4° |
| C25 | C23 | H3 | 109.2° | 109.5° |
| C23 | C25 | H4 | 108.3° | 109.4° |
| C23 | C25 | H5 | 108.2° | 109.5° |
| C23 | S23 | C3 | 103.3° | 103.0° |
| S23 | C23 | H2 | 109.2° | 109.5° |
| S23 | C23 | H3 | 109.2° | 109.5° |
| S23 | C3 | C4 | 121.3° | 120.0° |
| S23 | C3 | C2 | 118.9° | 120.1° |
| F21 | C13 | F17 | 106.1° | 109.5° |
| F21 | C13 | C4 | 112.8° | 109.4° |
| F21 | C13 | F19 | 106.7° | 109.5° |
| F17 | C13 | C4 | 112.2° | 109.4° |
| F17 | C13 | F19 | 106.3° | 109.5° |
| C4 | C13 | F19 | 112.3° | 109.4° |
| C13 | C4 | C3 | 122.4° | 119.9° |
| C13 | C4 | C5 | 119.2° | 119.9° |
| C4 | C3 | C2 | 119.8° | 120.0° |
| C3 | C4 | C5 | 118.3° | 120.1° |
| C3 | C2 | C1 | 120.5° | 119.8° |
| C3 | C2 | H1 | 119.8° | 120.1° |
| C96 | O94 | C83 | 117.3° | 117.0° |
| O94 | C96 | H42 | 109.5° | 109.5° |
| O94 | C96 | H43 | 109.5° | 109.5° |
| O94 | C96 | H44 | 109.5° | 109.5° |
| C4 | C5 | C6 | 121.7° | 120.2° |
| C4 | C5 | H16 | 119.2° | 119.9° |
| C2 | C1 | C6 | 119.2° | 119.9° |
| C2 | C1 | C40 | 120.6° | 120.0° |
| C1 | C2 | H1 | 119.7° | 120.2° |
| O94 | C83 | C84 | 123.1° | 120.0° |
| O94 | C83 | C81 | 115.8° | 120.1° |
| C83 | C84 | C85 | 119.3° | 119.9° |
| C84 | C83 | C81 | 121.1° | 119.9° |
| C83 | C84 | H38 | 120.4° | 120.0° |
| C84 | C85 | C86 | 120.6° | 120.0° |
| C85 | C84 | H38 | 120.4° | 120.0° |
| C84 | C85 | H39 | 119.7° | 120.0° |
| C5 | C6 | C1 | 120.5° | 120.0° |
| C6 | C5 | H16 | 119.2° | 119.9° |
| C5 | C6 | H23 | 119.7° | 119.9° |
| C83 | C81 | C72 | 122.2° | 120.0° |
| C83 | C81 | C87 | 117.4° | 120.0° |
| N53 | C54 | C42 | 113.9° | 108.3° |
| C54 | N53 | C52 | 113.3° | 111.5° |
| N53 | C54 | H21 | 108.3° | 109.7° |
| N53 | C54 | H22 | 108.3° | 109.7° |
| C54 | N53 | H46 | 108.5° | 111.0° |
| C54 | C42 | C40 | 134.1° | 128.6° |
| C54 | C42 | C43 | 121.0° | 123.5° |
| C42 | C54 | H21 | 108.4° | 109.7° |
| C42 | C54 | H22 | 108.3° | 109.7° |
| C6 | C1 | C40 | 120.2° | 120.1° |
| C1 | C6 | H23 | 119.8° | 120.0° |
| C1 | C40 | C42 | 129.5° | 126.1° |
| C1 | C40 | N45 | 119.4° | 126.2° |
| C85 | C86 | C87 | 120.7° | 120.2° |
| C86 | C85 | H39 | 119.7° | 120.0° |
| C85 | C86 | H40 | 119.7° | 119.9° |
| N53 | C52 | C51 | 116.3° | 109.7° |
| N53 | C52 | H19 | 107.7° | 109.5° |
| N53 | C52 | H20 | 107.7° | 109.4° |
| C52 | N53 | H46 | 108.5° | 111.0° |
| C74 | C73 | C72 | 111.7° | 109.2° |
| C73 | C74 | N68 | 112.5° | 109.5° |
| C74 | C73 | H34 | 108.9° | 109.5° |
| C74 | C73 | H35 | 108.9° | 109.4° |
| C73 | C74 | H36 | 108.7° | 109.4° |
| C73 | C74 | H37 | 108.7° | 109.4° |
| C73 | C72 | C81 | 112.6° | 109.6° |
| C73 | C72 | C71 | 109.1° | 109.2° |
| C73 | C72 | H33 | 107.0° | 109.5° |
| C72 | C73 | H34 | 108.9° | 109.5° |
| C72 | C73 | H35 | 108.9° | 109.5° |
| C40 | C42 | C43 | 105.0° | 107.9° |
| C42 | C40 | N45 | 111.2° | 107.7° |
| C42 | C43 | C51 | 125.0° | 123.1° |
| C42 | C43 | N44 | 107.7° | 108.1° |
| C74 | N68 | C70 | 109.7° | 111.2° |
| C74 | N68 | C66 | 107.3° | 111.0° |
| N68 | C74 | H36 | 108.7° | 109.5° |
| N68 | C74 | H37 | 108.7° | 109.5° |
| C40 | N45 | N44 | 104.0° | 108.2° |
| C72 | C81 | C87 | 120.4° | 120.0° |
| C81 | C72 | C71 | 113.9° | 109.5° |
| C81 | C72 | H33 | 106.9° | 109.5° |
| C81 | C87 | C86 | 120.9° | 120.0° |
| C81 | C87 | H41 | 119.5° | 120.0° |
| C87 | C86 | H40 | 119.6° | 120.0° |
| C86 | C87 | H41 | 119.5° | 120.0° |
| C72 | C71 | C70 | 110.8° | 109.3° |
| C72 | C71 | H31 | 109.1° | 109.5° |
| C72 | C71 | H32 | 109.2° | 109.6° |
| C71 | C72 | H33 | 106.9° | 109.5° |
| C52 | C51 | C43 | 110.1° | 107.8° |
| C52 | C51 | H17 | 109.3° | 109.8° |
| C52 | C51 | H18 | 109.3° | 109.8° |
| C51 | C52 | H19 | 107.7° | 109.4° |
| C51 | C52 | H20 | 107.8° | 109.5° |
| C51 | C43 | N44 | 127.3° | 128.8° |
| C43 | C51 | H17 | 109.3° | 109.8° |
| C43 | C51 | H18 | 109.3° | 109.8° |
| C43 | N44 | N45 | 112.1° | 108.0° |
| C43 | N44 | C60 | 128.9° | 126.0° |
| N45 | N44 | C60 | 119.0° | 126.0° |
| O64 | C62 | C66 | 111.5° | 109.5° |
| O64 | C62 | C60 | 106.4° | 109.4° |
| O64 | C62 | H26 | 110.4° | 109.4° |
| C62 | O64 | H49 | 109.5° | 114.0° |
| C70 | N68 | C66 | 117.7° | 111.0° |
| N68 | C70 | C71 | 111.0° | 109.5° |
| N68 | C70 | H29 | 109.1° | 109.5° |
| N68 | C70 | H30 | 109.1° | 109.5° |
| N68 | C66 | C62 | 118.2° | 109.4° |
| N68 | C66 | H27 | 107.3° | 109.4° |
| N68 | C66 | H28 | 107.2° | 109.5° |
| C71 | C70 | H29 | 109.1° | 109.5° |
| C71 | C70 | H30 | 109.1° | 109.4° |
| C70 | C71 | H31 | 109.2° | 109.5° |
| C70 | C71 | H32 | 109.1° | 109.5° |
| N44 | C60 | C62 | 111.7° | 109.5° |
| N44 | C60 | H24 | 108.9° | 109.4° |
| N44 | C60 | H25 | 108.9° | 109.5° |
| C66 | C62 | C60 | 109.9° | 109.4° |
| C66 | C62 | H26 | 109.3° | 109.5° |
| C62 | C66 | H27 | 107.2° | 109.5° |
| C62 | C66 | H28 | 107.2° | 109.5° |
| C62 | C60 | H24 | 108.9° | 109.5° |
| C62 | C60 | H25 | 108.9° | 109.5° |
| C60 | C62 | H26 | 109.3° | 109.5° |
| H2 | C23 | H3 | 109.5° | 109.4° |
| H4 | C25 | H5 | 109.5° | 109.5° |
| H6 | C29 | H7 | 109.5° | 109.5° |
| H8 | C30 | H9 | 109.5° | 109.5° |
| H10 | C31 | H11 | 109.5° | 109.6° |
| H12 | C32 | H13 | 109.4° | 109.5° |
| H14 | C33 | H15 | 109.5° | 109.4° |
| H17 | C51 | H18 | 109.4° | 109.8° |
| H19 | C52 | H20 | 109.5° | 109.4° |
| H21 | C54 | H22 | 109.5° | 109.7° |
| H24 | C60 | H25 | 109.5° | 109.5° |
| H27 | C66 | H28 | 109.5° | 109.5° |
| H29 | C70 | H30 | 109.4° | 109.5° |
| H31 | C71 | H32 | 109.5° | 109.5° |
| H34 | C73 | H35 | 109.5° | 109.6° |
| H36 | C74 | H37 | 109.5° | 109.5° |
| H42 | C96 | H43 | 109.5° | 109.5° |
| H42 | C96 | H44 | 109.4° | 109.5° |
| H43 | C96 | H44 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C30 | C29 | H8 | 120.3° | 119.9° |
| C31 | C30 | C29 | H9 | 120.3° | 120.0° |
| C30 | C31 | C32 | H10 | 120.2° | 120.0° |
| C30 | C31 | C32 | H11 | 120.2° | 119.8° |
| C31 | C30 | C29 | N29 | 24.5° | 59.1° |
| C30 | C31 | C32 | C33 | 36.2° | 57.6° |
| C31 | C30 | C29 | H6 | 145.2° | 60.9° |
| C31 | C30 | C29 | H7 | 96.1° | 179.1° |
| C31 | C30 | H8 | H9 | 119.3° | 120.1° |
| C30 | C31 | H10 | H11 | 119.4° | 120.1° |
| C30 | C31 | C32 | H12 | 156.5° | 62.4° |
| C30 | C31 | C32 | H13 | 84.1° | 177.6° |
| C29 | C30 | C31 | C32 | 62.3° | 57.6° |
| C30 | C29 | N29 | H6 | 120.6° | 120.0° |
| C30 | C29 | N29 | H7 | 120.6° | 120.0° |
| C30 | C29 | N29 | C33 | 35.2° | 61.7° |
| C30 | C29 | N29 | C25 | 156.3° | 174.2° |
| C30 | C29 | H6 | H7 | 118.0° | 120.0° |
| C29 | C30 | H8 | H9 | 119.2° | 120.1° |
| C29 | C30 | C31 | H10 | 57.9° | 177.6° |
| C29 | C30 | C31 | H11 | 177.5° | 62.3° |
| C31 | C32 | C33 | H12 | 120.3° | 120.0° |
| C31 | C32 | C33 | H13 | 120.3° | 119.9° |
| C31 | C32 | C33 | N29 | 24.8° | 59.2° |
| C32 | C31 | C30 | H8 | 57.9° | 62.3° |
| C32 | C31 | C30 | H9 | 177.4° | 177.6° |
| C32 | C31 | H10 | H11 | 119.3° | 120.2° |
| C31 | C32 | H12 | H13 | 119.2° | 120.0° |
| C31 | C32 | C33 | H14 | 145.4° | 179.2° |
| C31 | C32 | C33 | H15 | 95.8° | 60.9° |
| C29 | N29 | C33 | C32 | 62.3° | 61.8° |
| C29 | N29 | C33 | C25 | 121.4° | 124.1° |
| C29 | N29 | C25 | C23 | 67.9° | 170.0° |
| C29 | N29 | C25 | H4 | 171.4° | 50.0° |
| C29 | N29 | C25 | H5 | 52.8° | 70.0° |
| N29 | C29 | H6 | H7 | 118.0° | 120.0° |
| N29 | C29 | C30 | H8 | 95.7° | 60.8° |
| N29 | C29 | C30 | H9 | 144.8° | 179.2° |
| C29 | N29 | C33 | H14 | 177.0° | 178.2° |
| C29 | N29 | C33 | H15 | 58.3° | 58.3° |
| C32 | C33 | N29 | H14 | 120.6° | 120.0° |
| C32 | C33 | N29 | H15 | 120.6° | 120.0° |
| C32 | C33 | N29 | C25 | 176.3° | 174.2° |
| C33 | C32 | C31 | H10 | 84.0° | 177.6° |
| C33 | C32 | C31 | H11 | 156.4° | 62.2° |
| C33 | C32 | H12 | H13 | 119.2° | 120.1° |
| C32 | C33 | H14 | H15 | 118.1° | 119.9° |
| C33 | N29 | C25 | C23 | 171.0° | 65.8° |
| C33 | N29 | C25 | H4 | 50.3° | 174.2° |
| C33 | N29 | C25 | H5 | 68.3° | 54.2° |
| C33 | N29 | C29 | H6 | 85.4° | 58.2° |
| C33 | N29 | C29 | H7 | 155.8° | 178.3° |
| N29 | C33 | C32 | H12 | 95.5° | 60.8° |
| N29 | C33 | C32 | H13 | 145.1° | 179.1° |
| N29 | C33 | H14 | H15 | 118.1° | 120.0° |
| N29 | C25 | C23 | H4 | 120.7° | 120.0° |
| N29 | C25 | C23 | H5 | 120.7° | 120.0° |
| N29 | C25 | C23 | S23 | 158.1° | 180.0° |
| N29 | C25 | C23 | H2 | 38.0° | 59.9° |
| N29 | C25 | C23 | H3 | 81.7° | 59.9° |
| N29 | C25 | H4 | H5 | 117.8° | 120.0° |
| C25 | N29 | C29 | H6 | 35.7° | 65.8° |
| C25 | N29 | C29 | H7 | 83.0° | 54.2° |
| C25 | N29 | C33 | H14 | 55.7° | 54.2° |
| C25 | N29 | C33 | H15 | 63.1° | 65.8° |
| C25 | C23 | S23 | H2 | 120.1° | 120.0° |
| C25 | C23 | S23 | H3 | 120.2° | 120.0° |
| C25 | C23 | S23 | C3 | 83.0° | 180.0° |
| C25 | C23 | H2 | H3 | 119.5° | 119.9° |
| C23 | C25 | H4 | H5 | 117.8° | 120.0° |
| C23 | S23 | C3 | C4 | 146.0° | 180.0° |
| C23 | S23 | C3 | C2 | 33.8° | 0.1° |
| S23 | C23 | H2 | H3 | 119.6° | 120.1° |
| S23 | C23 | C25 | H4 | 81.2° | 60.0° |
| S23 | C23 | C25 | H5 | 37.4° | 60.0° |
| S23 | C3 | C4 | C13 | 0.5° | 0.1° |
| S23 | C3 | C4 | C2 | 179.8° | 179.9° |
| S23 | C3 | C4 | C5 | 179.9° | 179.9° |
| S23 | C3 | C2 | C1 | 179.7° | 180.0° |
| S23 | C3 | C2 | H1 | 0.3° | 0.1° |
| C3 | S23 | C23 | H2 | 156.9° | 60.0° |
| C3 | S23 | C23 | H3 | 37.2° | 60.0° |
| F21 | C13 | F17 | C4 | 123.5° | 120.0° |
| F21 | C13 | F17 | F19 | 113.3° | 120.1° |
| F21 | C13 | C4 | F19 | 120.6° | 120.0° |
| F21 | C13 | C4 | C3 | 71.9° | 60.0° |
| F21 | C13 | C4 | C5 | 108.6° | 120.0° |
| F17 | C13 | C4 | F19 | 119.6° | 120.0° |
| F17 | C13 | C4 | C3 | 47.8° | 60.0° |
| F17 | C13 | C4 | C5 | 131.7° | 120.0° |
| C13 | C4 | C3 | C5 | 179.5° | 180.0° |
| C13 | C4 | C3 | C2 | 179.8° | 180.0° |
| C13 | C4 | C5 | C6 | 179.8° | 180.0° |
| C13 | C4 | C5 | H16 | 0.2° | 0.1° |
| F19 | C13 | C4 | C3 | 167.4° | 179.9° |
| F19 | C13 | C4 | C5 | 12.0° | 0.0° |
| C4 | C3 | C2 | C1 | 0.1° | 0.1° |
| C3 | C4 | C5 | C6 | 0.3° | 0.0° |
| C4 | C3 | C2 | H1 | 179.9° | 180.0° |
| C3 | C4 | C5 | H16 | 179.7° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.1° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.5° | 0.0° |
| C3 | C2 | C1 | C40 | 179.8° | 179.8° |
| C96 | O94 | C83 | C84 | 12.7° | 0.0° |
| C96 | O94 | C83 | C81 | 167.4° | 180.0° |
| O94 | C96 | H42 | H43 | 120.0° | 120.0° |
| O94 | C96 | H42 | H44 | 120.0° | 120.1° |
| O94 | C96 | H43 | H44 | 120.0° | 120.0° |
| C4 | C5 | C6 | H16 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.1° | 0.1° |
| C4 | C5 | C6 | H23 | 179.9° | 179.7° |
| C2 | C1 | C6 | C5 | 0.5° | 0.1° |
| C2 | C1 | C6 | C40 | 179.3° | 179.8° |
| C2 | C1 | C40 | C42 | 38.5° | 139.2° |
| C2 | C1 | C40 | N45 | 141.9° | 40.6° |
| C2 | C1 | C6 | H23 | 179.5° | 179.7° |
| O94 | C83 | C84 | C81 | 180.0° | 180.0° |
| O94 | C83 | C84 | C85 | 180.0° | 179.9° |
| O94 | C83 | C81 | C72 | 0.2° | 0.0° |
| O94 | C83 | C81 | C87 | 179.9° | 179.7° |
| O94 | C83 | C84 | H38 | 0.0° | 0.0° |
| C83 | O94 | C96 | H42 | 180.0° | 180.0° |
| C83 | O94 | C96 | H43 | 60.0° | 60.0° |
| C83 | O94 | C96 | H44 | 60.0° | 60.0° |
| C83 | C84 | C85 | H38 | 180.0° | 179.9° |
| C83 | C84 | C85 | C86 | 0.0° | 0.1° |
| C84 | C83 | C81 | C72 | 179.8° | 180.0° |
| C84 | C83 | C81 | C87 | 0.2° | 0.3° |
| C83 | C84 | C85 | H39 | 180.0° | 180.0° |
| C85 | C84 | C83 | C81 | 0.1° | 0.1° |
| C84 | C85 | C86 | H39 | 180.0° | 180.0° |
| C84 | C85 | C86 | C87 | 0.0° | 0.2° |
| C84 | C85 | C86 | H40 | 180.0° | 180.0° |
| C5 | C6 | C1 | H23 | 180.0° | 179.6° |
| C5 | C6 | C1 | C40 | 179.8° | 179.7° |
| C83 | C81 | C72 | C73 | 53.3° | 120.5° |
| C83 | C81 | C72 | C87 | 179.6° | 179.7° |
| C83 | C81 | C87 | C86 | 0.2° | 0.6° |
| C83 | C81 | C72 | C71 | 71.7° | 119.7° |
| C83 | C81 | C72 | H33 | 170.5° | 0.4° |
| C81 | C83 | C84 | H38 | 179.9° | 180.0° |
| C83 | C81 | C87 | H41 | 179.9° | 179.7° |
| N53 | C54 | C42 | H21 | 120.7° | 119.7° |
| N53 | C54 | C42 | H22 | 120.6° | 119.7° |
| C54 | N53 | C52 | H46 | 120.6° | 124.4° |
| N53 | C54 | C42 | C40 | 168.3° | 163.5° |
| N53 | C54 | C42 | C43 | 12.1° | 16.3° |
| C54 | N53 | C52 | C51 | 54.8° | 71.5° |
| C54 | N53 | C52 | H19 | 66.2° | 168.4° |
| C54 | N53 | C52 | H20 | 175.7° | 48.6° |
| N53 | C54 | H21 | H22 | 118.0° | 120.5° |
| C54 | C42 | C40 | C1 | 0.0° | 0.3° |
| C42 | C54 | N53 | C52 | 37.8° | 51.3° |
| C54 | C42 | C40 | C43 | 179.6° | 179.8° |
| C54 | C42 | C40 | N45 | 179.7° | 179.5° |
| C54 | C42 | C43 | C51 | 0.1° | 0.3° |
| C54 | C42 | C43 | N44 | 179.7° | 179.7° |
| C42 | C54 | H21 | H22 | 117.9° | 120.7° |
| C42 | C54 | N53 | H46 | 158.4° | 175.6° |
| C6 | C1 | C40 | C42 | 140.9° | 41.1° |
| C6 | C1 | C40 | N45 | 38.8° | 139.2° |
| C6 | C1 | C2 | H1 | 179.5° | 180.0° |
| C1 | C6 | C5 | H16 | 179.9° | 179.9° |
| C1 | C40 | C42 | N45 | 179.7° | 179.8° |
| C1 | C40 | C42 | C43 | 179.6° | 179.9° |
| C1 | C40 | N45 | N44 | 179.6° | 179.8° |
| C40 | C1 | C2 | H1 | 0.2° | 0.3° |
| C40 | C1 | C6 | H23 | 0.2° | 0.1° |
| C85 | C86 | C87 | C81 | 0.1° | 0.5° |
| C85 | C86 | C87 | H40 | 180.0° | 179.8° |
| C86 | C85 | C84 | H38 | 180.0° | 180.0° |
| C85 | C86 | C87 | H41 | 179.9° | 179.7° |
| N53 | C52 | C51 | H19 | 121.0° | 120.1° |
| N53 | C52 | C51 | H20 | 121.0° | 120.0° |
| N53 | C52 | C51 | C43 | 40.6° | 49.2° |
| N53 | C52 | C51 | H17 | 160.7° | 70.4° |
| N53 | C52 | C51 | H18 | 79.5° | 168.8° |
| N53 | C52 | H19 | H20 | 116.9° | 119.8° |
| C52 | N53 | C54 | H21 | 158.5° | 68.5° |
| C52 | N53 | C54 | H22 | 82.8° | 171.0° |
| C74 | C73 | C72 | H34 | 120.3° | 120.0° |
| C74 | C73 | C72 | H35 | 120.3° | 119.8° |
| C73 | C74 | N68 | H36 | 120.4° | 120.0° |
| C73 | C74 | N68 | H37 | 120.5° | 120.0° |
| C74 | C73 | C72 | C81 | 170.7° | 177.5° |
| C74 | C73 | C72 | C71 | 61.8° | 57.6° |
| C73 | C74 | N68 | C70 | 38.6° | 61.8° |
| C73 | C74 | N68 | C66 | 167.6° | 62.3° |
| C74 | C73 | C72 | H33 | 53.6° | 62.3° |
| C74 | C73 | H34 | H35 | 119.0° | 120.1° |
| C73 | C74 | H36 | H37 | 118.6° | 119.9° |
| C72 | C73 | C74 | N68 | 25.3° | 59.2° |
| C73 | C72 | C81 | C71 | 124.9° | 119.7° |
| C73 | C72 | C81 | H33 | 117.2° | 120.2° |
| C73 | C72 | C81 | C87 | 126.4° | 59.7° |
| C73 | C72 | C71 | H33 | 115.4° | 119.9° |
| C73 | C72 | C71 | C70 | 31.8° | 57.7° |
| C73 | C72 | C71 | H31 | 88.4° | 177.6° |
| C73 | C72 | C71 | H32 | 152.0° | 62.3° |
| C72 | C73 | H34 | H35 | 119.0° | 120.1° |
| C72 | C73 | C74 | H36 | 95.1° | 60.9° |
| C72 | C73 | C74 | H37 | 145.8° | 179.2° |
| C40 | C42 | C43 | C51 | 179.8° | 179.8° |
| C40 | C42 | C43 | N44 | 0.0° | 0.1° |
| C42 | C40 | N45 | N44 | 0.1° | 0.4° |
| C40 | C42 | C54 | H21 | 47.7° | 76.8° |
| C40 | C42 | C54 | H22 | 71.0° | 43.8° |
| C43 | C42 | C40 | N45 | 0.0° | 0.3° |
| C42 | C43 | C51 | C52 | 13.7° | 15.8° |
| C42 | C43 | C51 | N44 | 179.7° | 179.9° |
| C42 | C43 | N44 | N45 | 0.1° | 0.1° |
| C42 | C43 | N44 | C60 | 179.6° | 179.9° |
| C42 | C43 | C51 | H17 | 133.8° | 103.8° |
| C42 | C43 | C51 | H18 | 106.4° | 135.4° |
| C43 | C42 | C54 | H21 | 132.8° | 103.4° |
| C43 | C42 | C54 | H22 | 108.6° | 136.0° |
| C74 | N68 | C70 | C66 | 123.0° | 124.1° |
| C74 | N68 | C70 | C71 | 69.4° | 61.8° |
| C74 | N68 | C66 | C62 | 134.0° | 75.5° |
| C74 | N68 | C66 | H27 | 104.7° | 164.4° |
| C74 | N68 | C66 | H28 | 12.8° | 44.5° |
| C74 | N68 | C70 | H29 | 170.3° | 178.2° |
| C74 | N68 | C70 | H30 | 50.8° | 58.2° |
| N68 | C74 | C73 | H34 | 95.0° | 179.1° |
| N68 | C74 | C73 | H35 | 145.7° | 60.7° |
| N68 | C74 | H36 | H37 | 118.6° | 120.0° |
| C40 | N45 | N44 | C43 | 0.1° | 0.3° |
| C40 | N45 | N44 | C60 | 179.7° | 179.9° |
| C72 | C81 | C87 | C86 | 179.8° | 179.7° |
| C81 | C72 | C71 | H33 | 117.9° | 120.1° |
| C81 | C72 | C71 | C70 | 158.5° | 177.6° |
| C81 | C72 | C71 | H31 | 38.3° | 62.5° |
| C81 | C72 | C71 | H32 | 81.3° | 57.7° |
| C81 | C72 | C73 | H34 | 69.0° | 62.5° |
| C81 | C72 | C73 | H35 | 50.4° | 57.7° |
| C72 | C81 | C87 | H41 | 0.2° | 0.0° |
| C81 | C87 | C86 | H41 | 180.0° | 179.7° |
| C87 | C81 | C72 | C71 | 108.7° | 60.0° |
| C87 | C81 | C72 | H33 | 9.1° | 179.9° |
| C81 | C87 | C86 | H40 | 179.9° | 179.7° |
| C87 | C86 | C85 | H39 | 180.0° | 179.7° |
| C72 | C71 | C70 | N68 | 30.5° | 59.2° |
| C72 | C71 | C70 | H31 | 120.2° | 119.9° |
| C72 | C71 | C70 | H32 | 120.2° | 120.0° |
| C72 | C71 | C70 | H29 | 150.8° | 179.2° |
| C72 | C71 | C70 | H30 | 89.7° | 60.8° |
| C72 | C71 | H31 | H32 | 119.4° | 120.2° |
| C71 | C72 | C73 | H34 | 58.5° | 177.6° |
| C71 | C72 | C73 | H35 | 177.9° | 62.2° |
| C52 | C51 | C43 | H17 | 120.1° | 119.5° |
| C52 | C51 | C43 | H18 | 120.1° | 119.6° |
| C52 | C51 | C43 | N44 | 166.0° | 164.1° |
| C52 | C51 | H17 | H18 | 119.7° | 120.8° |
| C51 | C52 | H19 | H20 | 116.9° | 119.9° |
| C51 | C52 | N53 | H46 | 175.3° | 164.2° |
| C51 | C43 | N44 | N45 | 179.9° | 179.9° |
| C51 | C43 | N44 | C60 | 0.7° | 0.2° |
| C43 | C51 | H17 | H18 | 119.7° | 120.8° |
| C43 | C51 | C52 | H19 | 80.4° | 169.3° |
| C43 | C51 | C52 | H20 | 161.6° | 70.8° |
| C43 | N44 | N45 | C60 | 179.5° | 179.8° |
| C43 | N44 | C60 | C62 | 89.0° | 90.0° |
| N44 | C43 | C51 | H17 | 45.9° | 76.3° |
| N44 | C43 | C51 | H18 | 73.9° | 44.5° |
| C43 | N44 | C60 | H24 | 150.6° | 30.0° |
| C43 | N44 | C60 | H25 | 31.3° | 150.0° |
| N45 | N44 | C60 | C62 | 90.4° | 89.8° |
| N45 | N44 | C60 | H24 | 29.9° | 150.3° |
| N45 | N44 | C60 | H25 | 149.3° | 30.3° |
| O64 | C62 | C66 | N68 | 74.7° | 65.1° |
| O64 | C62 | C60 | N44 | 44.2° | 65.0° |
| O64 | C62 | C66 | C60 | 117.8° | 120.0° |
| O64 | C62 | C66 | H26 | 122.4° | 120.0° |
| O64 | C62 | C60 | H26 | 119.2° | 119.9° |
| O64 | C62 | C60 | H24 | 164.5° | 175.0° |
| O64 | C62 | C60 | H25 | 76.1° | 55.0° |
| O64 | C62 | C66 | H27 | 164.0° | 54.9° |
| O64 | C62 | C66 | H28 | 46.5° | 174.9° |
| N68 | C70 | C71 | H29 | 120.3° | 120.0° |
| N68 | C70 | C71 | H30 | 120.2° | 120.0° |
| C70 | N68 | C66 | C62 | 9.8° | 160.2° |
| C70 | N68 | C66 | H27 | 131.1° | 40.2° |
| C70 | N68 | C66 | H28 | 111.4° | 79.8° |
| N68 | C70 | H29 | H30 | 119.3° | 120.0° |
| N68 | C70 | C71 | H31 | 150.7° | 179.1° |
| N68 | C70 | C71 | H32 | 89.7° | 60.8° |
| C70 | N68 | C74 | H36 | 159.0° | 58.2° |
| C70 | N68 | C74 | H37 | 81.8° | 178.3° |
| C66 | N68 | C70 | C71 | 167.6° | 62.4° |
| N68 | C66 | C62 | H27 | 121.3° | 120.0° |
| N68 | C66 | C62 | H28 | 121.2° | 120.0° |
| N68 | C66 | C62 | C60 | 167.5° | 174.9° |
| N68 | C66 | C62 | H26 | 47.7° | 54.9° |
| N68 | C66 | H27 | H28 | 116.0° | 120.0° |
| C66 | N68 | C70 | H29 | 47.3° | 57.6° |
| C66 | N68 | C70 | H30 | 72.2° | 177.7° |
| C66 | N68 | C74 | H36 | 72.0° | 177.6° |
| C66 | N68 | C74 | H37 | 47.1° | 57.6° |
| C71 | C70 | H29 | H30 | 119.3° | 120.0° |
| C70 | C71 | H31 | H32 | 119.4° | 120.0° |
| C70 | C71 | C72 | H33 | 83.6° | 62.3° |
| N44 | C60 | C62 | C66 | 76.7° | 175.0° |
| N44 | C60 | C62 | H24 | 120.3° | 120.0° |
| N44 | C60 | C62 | H25 | 120.3° | 120.0° |
| N44 | C60 | H24 | H25 | 119.0° | 120.0° |
| N44 | C60 | C62 | H26 | 163.4° | 54.9° |
| C66 | C62 | C60 | H26 | 119.9° | 120.0° |
| C66 | C62 | C60 | H24 | 43.6° | 55.0° |
| C66 | C62 | C60 | H25 | 163.0° | 65.0° |
| C62 | C66 | H27 | H28 | 116.0° | 120.0° |
| C66 | C62 | O64 | H49 | 180.0° | 59.9° |
| C62 | C60 | H24 | H25 | 119.0° | 120.0° |
| C60 | C62 | C66 | H27 | 46.3° | 65.1° |
| C60 | C62 | C66 | H28 | 71.2° | 54.9° |
| C60 | C62 | O64 | H49 | 60.2° | 60.1° |
| H2 | C23 | C25 | H4 | 158.7° | 60.1° |
| H2 | C23 | C25 | H5 | 82.8° | 179.9° |
| H3 | C23 | C25 | H4 | 39.0° | 180.0° |
| H3 | C23 | C25 | H5 | 157.5° | 60.0° |
| H6 | C29 | C30 | H8 | 24.9° | 179.3° |
| H6 | C29 | C30 | H9 | 94.5° | 59.2° |
| H7 | C29 | C30 | H8 | 143.7° | 59.2° |
| H7 | C29 | C30 | H9 | 24.2° | 60.9° |
| H8 | C30 | C31 | H10 | 178.1° | 57.7° |
| H8 | C30 | C31 | H11 | 62.3° | 177.8° |
| H9 | C30 | C31 | H10 | 62.4° | 62.4° |
| H9 | C30 | C31 | H11 | 57.2° | 57.7° |
| H10 | C31 | C32 | H12 | 36.3° | 57.6° |
| H10 | C31 | C32 | H13 | 155.7° | 62.5° |
| H11 | C31 | C32 | H12 | 83.3° | 177.8° |
| H11 | C31 | C32 | H13 | 36.2° | 57.7° |
| H12 | C32 | C33 | H14 | 25.1° | 59.2° |
| H12 | C32 | C33 | H15 | 143.9° | 179.2° |
| H13 | C32 | C33 | H14 | 94.3° | 60.9° |
| H13 | C32 | C33 | H15 | 24.5° | 59.1° |
| H16 | C5 | C6 | H23 | 0.1° | 0.2° |
| H17 | C51 | C52 | H19 | 39.8° | 49.7° |
| H17 | C51 | C52 | H20 | 78.3° | 169.6° |
| H18 | C51 | C52 | H19 | 159.5° | 71.1° |
| H18 | C51 | C52 | H20 | 41.5° | 48.8° |
| H19 | C52 | N53 | H46 | 54.3° | 44.1° |
| H20 | C52 | N53 | H46 | 63.7° | 75.8° |
| H21 | C54 | N53 | H46 | 81.0° | 55.9° |
| H22 | C54 | N53 | H46 | 37.7° | 64.7° |
| H24 | C60 | C62 | H26 | 76.3° | 65.0° |
| H25 | C60 | C62 | H26 | 43.1° | 175.0° |
| H26 | C62 | C66 | H27 | 73.6° | 174.9° |
| H26 | C62 | C66 | H28 | 168.9° | 65.1° |
| H26 | C62 | O64 | H49 | 58.2° | 180.0° |
| H29 | C70 | C71 | H31 | 89.1° | 60.9° |
| H29 | C70 | C71 | H32 | 30.6° | 59.2° |
| H30 | C70 | C71 | H31 | 30.4° | 59.1° |
| H30 | C70 | C71 | H32 | 150.0° | 179.2° |
| H31 | C71 | C72 | H33 | 156.1° | 57.6° |
| H32 | C71 | C72 | H33 | 36.5° | 177.8° |
| H33 | C72 | C73 | H34 | 173.9° | 57.7° |
| H33 | C72 | C73 | H35 | 66.8° | 177.8° |
| H34 | C73 | C74 | H36 | 144.5° | 59.1° |
| H34 | C73 | C74 | H37 | 25.5° | 60.8° |
| H35 | C73 | C74 | H36 | 25.2° | 179.2° |
| H35 | C73 | C74 | H37 | 93.9° | 59.3° |
| H38 | C84 | C85 | H39 | 0.0° | 0.1° |
| H39 | C85 | C86 | H40 | 0.0° | 0.0° |
| H40 | C86 | C87 | H41 | 0.1° | 0.0° |
| H42 | C96 | H43 | H44 | 119.9° | 120.0° |
