B9Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F38 | C34 | sing | 1.40Å | 1.31Å | |
| F36 | C34 | sing | 1.40Å | 1.30Å | |
| F40 | C34 | sing | 1.40Å | 1.33Å | |
| C34 | C27 | sing | 1.51Å | 1.50Å | |
| S19 | C21 | sing | 1.76Å | 1.77Å | |
| S19 | C17 | sing | 1.81Å | 1.82Å | |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| F13 | C2 | sing | 1.40Å | 1.41Å | |
| C26 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C17 | sing | 1.53Å | 1.52Å | |
| C15 | N5 | sing | 1.47Å | 1.46Å | |
| C6 | N5 | sing | 1.47Å | 1.47Å | |
| C6 | C1 | sing | 1.53Å | 1.54Å | |
| C4 | N5 | sing | 1.47Å | 1.46Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C25 | C24 | doub | 1.39Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | C42 | sing | 1.48Å | 1.48Å | |
| C42 | N47 | doub | 1.32Å | 1.34Å | Aromatic |
| C42 | C44 | sing | 1.40Å | 1.43Å | Aromatic |
| N47 | N46 | sing | 1.40Å | 1.40Å | Aromatic |
| C56 | C44 | sing | 1.51Å | 1.48Å | |
| C56 | N55 | sing | 1.47Å | 1.46Å | |
| O85 | C83 | doub | 1.21Å | 1.21Å | |
| C44 | C45 | doub | 1.36Å | 1.36Å | Aromatic |
| C76 | C75 | sing | 1.53Å | 1.52Å | |
| C76 | N70 | sing | 1.47Å | 1.48Å | |
| C83 | N55 | sing | 1.35Å | 1.35Å | |
| C83 | C87 | sing | 1.51Å | 1.55Å | |
| N55 | C54 | sing | 1.47Å | 1.47Å | |
| N46 | C45 | sing | 1.35Å | 1.35Å | Aromatic |
| N46 | C62 | sing | 1.47Å | 1.49Å | |
| C75 | C74 | sing | 1.53Å | 1.51Å | |
| C45 | C53 | sing | 1.51Å | 1.51Å | |
| C68 | N70 | sing | 1.47Å | 1.47Å | |
| C68 | C64 | sing | 1.53Å | 1.51Å | |
| N70 | C72 | sing | 1.47Å | 1.47Å | |
| C62 | C64 | sing | 1.53Å | 1.52Å | |
| O89 | C87 | sing | 1.43Å | 1.43Å | |
| C54 | C53 | sing | 1.53Å | 1.54Å | |
| C74 | C73 | sing | 1.53Å | 1.52Å | |
| C64 | O66 | sing | 1.43Å | 1.44Å | |
| C72 | C73 | sing | 1.53Å | 1.52Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| C26 | H16 | sing | 1.08Å | 1.08Å | |
| C53 | H17 | sing | 1.09Å | 1.10Å | |
| C53 | H18 | sing | 1.09Å | 1.10Å | |
| C54 | H19 | sing | 1.09Å | 1.10Å | |
| C54 | H20 | sing | 1.09Å | 1.10Å | |
| C56 | H21 | sing | 1.09Å | 1.10Å | |
| C56 | H22 | sing | 1.09Å | 1.10Å | |
| C62 | H23 | sing | 1.09Å | 1.10Å | |
| C62 | H24 | sing | 1.09Å | 1.10Å | |
| C64 | H25 | sing | 1.09Å | 1.10Å | |
| C68 | H26 | sing | 1.09Å | 1.10Å | |
| C68 | H27 | sing | 1.09Å | 1.10Å | |
| C72 | H28 | sing | 1.09Å | 1.10Å | |
| C72 | H29 | sing | 1.09Å | 1.10Å | |
| C73 | H30 | sing | 1.09Å | 1.10Å | |
| C73 | H31 | sing | 1.09Å | 1.10Å | |
| C74 | H32 | sing | 1.09Å | 1.10Å | |
| C74 | H33 | sing | 1.09Å | 1.10Å | |
| C75 | H34 | sing | 1.09Å | 1.10Å | |
| C75 | H35 | sing | 1.09Å | 1.10Å | |
| C76 | H36 | sing | 1.09Å | 1.10Å | |
| C76 | H37 | sing | 1.09Å | 1.10Å | |
| C87 | H38 | sing | 1.09Å | 1.10Å | |
| C87 | H39 | sing | 1.09Å | 1.10Å | |
| O66 | H42 | sing | 0.97Å | 0.95Å | |
| O89 | H43 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F38 | C34 | F36 | 109.7° | 109.5° |
| F38 | C34 | F40 | 105.5° | 109.5° |
| F38 | C34 | C27 | 113.6° | 109.4° |
| F36 | C34 | F40 | 103.2° | 109.5° |
| F36 | C34 | C27 | 112.4° | 109.5° |
| F40 | C34 | C27 | 111.8° | 109.4° |
| C34 | C27 | C26 | 120.6° | 119.9° |
| C34 | C27 | C21 | 120.7° | 120.0° |
| C21 | S19 | C17 | 103.8° | 103.0° |
| S19 | C21 | C27 | 121.0° | 120.0° |
| S19 | C21 | C23 | 119.4° | 120.0° |
| S19 | C17 | C15 | 108.7° | 109.5° |
| S19 | C17 | H1 | 109.7° | 109.5° |
| S19 | C17 | H2 | 109.7° | 109.5° |
| C26 | C27 | C21 | 118.7° | 120.1° |
| C27 | C26 | C25 | 121.8° | 120.2° |
| C27 | C26 | H16 | 119.1° | 119.9° |
| C27 | C21 | C23 | 119.6° | 120.0° |
| F13 | C2 | C1 | 108.7° | 109.5° |
| F13 | C2 | C3 | 108.3° | 109.5° |
| F13 | C2 | H13 | 109.2° | 109.6° |
| C26 | C25 | C24 | 120.1° | 120.1° |
| C26 | C25 | H15 | 120.0° | 119.9° |
| C25 | C26 | H16 | 119.1° | 119.9° |
| C21 | C23 | C24 | 120.6° | 119.8° |
| C21 | C23 | H14 | 119.7° | 120.1° |
| C17 | C15 | N5 | 114.5° | 109.5° |
| C15 | C17 | H1 | 109.6° | 109.4° |
| C15 | C17 | H2 | 109.6° | 109.5° |
| C17 | C15 | H3 | 108.2° | 109.5° |
| C17 | C15 | H4 | 108.2° | 109.5° |
| C15 | N5 | C6 | 111.6° | 111.0° |
| C15 | N5 | C4 | 109.9° | 111.0° |
| N5 | C15 | H3 | 108.2° | 109.5° |
| N5 | C15 | H4 | 108.2° | 109.4° |
| N5 | C6 | C1 | 111.5° | 109.5° |
| C6 | N5 | C4 | 109.3° | 111.2° |
| N5 | C6 | H7 | 109.0° | 109.5° |
| N5 | C6 | H8 | 109.0° | 109.5° |
| C6 | C1 | C2 | 110.1° | 109.3° |
| C6 | C1 | H5 | 109.3° | 109.6° |
| C6 | C1 | H6 | 109.3° | 109.5° |
| C1 | C6 | H7 | 109.0° | 109.5° |
| C1 | C6 | H8 | 108.9° | 109.4° |
| N5 | C4 | C3 | 111.2° | 109.5° |
| N5 | C4 | H9 | 109.0° | 109.5° |
| N5 | C4 | H10 | 109.0° | 109.4° |
| C4 | C3 | C2 | 108.9° | 109.3° |
| C3 | C4 | H9 | 109.0° | 109.5° |
| C3 | C4 | H10 | 109.1° | 109.5° |
| C4 | C3 | H11 | 109.6° | 109.5° |
| C4 | C3 | H12 | 109.6° | 109.5° |
| C1 | C2 | C3 | 114.6° | 109.2° |
| C2 | C1 | H5 | 109.3° | 109.5° |
| C2 | C1 | H6 | 109.3° | 109.5° |
| C1 | C2 | H13 | 107.8° | 109.5° |
| C2 | C3 | H11 | 109.6° | 109.5° |
| C2 | C3 | H12 | 109.6° | 109.5° |
| C3 | C2 | H13 | 108.1° | 109.5° |
| C25 | C24 | C23 | 119.2° | 119.8° |
| C25 | C24 | C42 | 120.5° | 120.1° |
| C24 | C25 | H15 | 119.9° | 120.0° |
| C23 | C24 | C42 | 120.3° | 120.1° |
| C24 | C23 | H14 | 119.7° | 120.1° |
| C24 | C42 | N47 | 120.1° | 126.1° |
| C24 | C42 | C44 | 128.8° | 126.2° |
| N47 | C42 | C44 | 111.1° | 107.7° |
| C42 | N47 | N46 | 103.6° | 108.2° |
| C42 | C44 | C56 | 133.0° | 127.9° |
| C42 | C44 | C45 | 105.8° | 108.1° |
| N47 | N46 | C45 | 112.0° | 108.1° |
| N47 | N46 | C62 | 119.4° | 125.9° |
| C44 | C56 | N55 | 106.2° | 107.2° |
| C56 | C44 | C45 | 121.2° | 123.9° |
| C44 | C56 | H21 | 110.3° | 109.9° |
| C44 | C56 | H22 | 110.3° | 109.9° |
| C56 | N55 | C83 | 123.3° | 120.8° |
| C56 | N55 | C54 | 112.5° | 118.4° |
| N55 | C56 | H21 | 110.3° | 109.9° |
| N55 | C56 | H22 | 110.3° | 109.9° |
| O85 | C83 | N55 | 122.4° | 120.0° |
| O85 | C83 | C87 | 119.0° | 120.0° |
| C44 | C45 | N46 | 107.6° | 107.9° |
| C44 | C45 | C53 | 124.8° | 124.4° |
| C75 | C76 | N70 | 111.9° | 109.5° |
| C76 | C75 | C74 | 110.8° | 109.3° |
| C76 | C75 | H34 | 109.1° | 109.4° |
| C76 | C75 | H35 | 109.1° | 109.5° |
| C75 | C76 | H36 | 108.9° | 109.4° |
| C75 | C76 | H37 | 108.8° | 109.5° |
| C76 | N70 | C68 | 110.9° | 111.0° |
| C76 | N70 | C72 | 109.6° | 111.2° |
| N70 | C76 | H36 | 108.8° | 109.5° |
| N70 | C76 | H37 | 108.9° | 109.5° |
| N55 | C83 | C87 | 118.7° | 120.0° |
| C83 | N55 | C54 | 124.1° | 120.8° |
| C83 | C87 | O89 | 111.5° | 109.5° |
| C83 | C87 | H38 | 109.0° | 109.5° |
| C83 | C87 | H39 | 109.0° | 109.5° |
| N55 | C54 | C53 | 109.9° | 109.2° |
| N55 | C54 | H19 | 109.3° | 109.5° |
| N55 | C54 | H20 | 109.3° | 109.5° |
| C45 | N46 | C62 | 128.6° | 126.0° |
| N46 | C45 | C53 | 127.6° | 127.7° |
| N46 | C62 | C64 | 114.6° | 109.5° |
| N46 | C62 | H23 | 108.2° | 109.5° |
| N46 | C62 | H24 | 108.2° | 109.5° |
| C75 | C74 | C73 | 110.8° | 109.1° |
| C75 | C74 | H32 | 109.1° | 109.5° |
| C75 | C74 | H33 | 109.2° | 109.5° |
| C74 | C75 | H34 | 109.1° | 109.5° |
| C74 | C75 | H35 | 109.1° | 109.5° |
| C45 | C53 | C54 | 110.2° | 108.9° |
| C45 | C53 | H17 | 109.3° | 109.5° |
| C45 | C53 | H18 | 109.3° | 109.6° |
| N70 | C68 | C64 | 111.7° | 109.5° |
| C68 | N70 | C72 | 111.3° | 111.0° |
| N70 | C68 | H26 | 108.9° | 109.5° |
| N70 | C68 | H27 | 108.9° | 109.4° |
| C68 | C64 | C62 | 111.6° | 109.5° |
| C68 | C64 | O66 | 110.6° | 109.5° |
| C68 | C64 | H25 | 107.1° | 109.5° |
| C64 | C68 | H26 | 108.9° | 109.5° |
| C64 | C68 | H27 | 108.9° | 109.5° |
| N70 | C72 | C73 | 112.4° | 109.5° |
| N70 | C72 | H28 | 108.7° | 109.5° |
| N70 | C72 | H29 | 108.7° | 109.5° |
| C62 | C64 | O66 | 112.4° | 109.5° |
| C64 | C62 | H23 | 108.1° | 109.4° |
| C64 | C62 | H24 | 108.2° | 109.4° |
| C62 | C64 | H25 | 107.0° | 109.5° |
| O89 | C87 | H38 | 109.0° | 109.4° |
| O89 | C87 | H39 | 108.9° | 109.5° |
| C87 | O89 | H43 | 109.5° | 114.0° |
| C54 | C53 | H17 | 109.3° | 109.6° |
| C54 | C53 | H18 | 109.3° | 109.7° |
| C53 | C54 | H19 | 109.4° | 109.6° |
| C53 | C54 | H20 | 109.4° | 109.5° |
| C74 | C73 | C72 | 111.4° | 109.3° |
| C74 | C73 | H30 | 109.0° | 109.5° |
| C74 | C73 | H31 | 109.0° | 109.6° |
| C73 | C74 | H32 | 109.2° | 109.6° |
| C73 | C74 | H33 | 109.1° | 109.5° |
| O66 | C64 | H25 | 108.0° | 109.4° |
| C64 | O66 | H42 | 109.5° | 113.9° |
| C73 | C72 | H28 | 108.7° | 109.5° |
| C73 | C72 | H29 | 108.7° | 109.4° |
| C72 | C73 | H30 | 109.0° | 109.5° |
| C72 | C73 | H31 | 109.0° | 109.5° |
| H1 | C17 | H2 | 109.5° | 109.5° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H5 | C1 | H6 | 109.5° | 109.6° |
| H7 | C6 | H8 | 109.5° | 109.4° |
| H9 | C4 | H10 | 109.5° | 109.4° |
| H11 | C3 | H12 | 109.5° | 109.5° |
| H17 | C53 | H18 | 109.4° | 109.5° |
| H19 | C54 | H20 | 109.5° | 109.5° |
| H21 | C56 | H22 | 109.5° | 110.0° |
| H23 | C62 | H24 | 109.5° | 109.5° |
| H26 | C68 | H27 | 109.4° | 109.5° |
| H28 | C72 | H29 | 109.5° | 109.5° |
| H30 | C73 | H31 | 109.5° | 109.5° |
| H32 | C74 | H33 | 109.4° | 109.5° |
| H34 | C75 | H35 | 109.5° | 109.5° |
| H36 | C76 | H37 | 109.5° | 109.5° |
| H38 | C87 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F38 | C34 | F36 | F40 | 112.1° | 120.1° |
| F38 | C34 | F36 | C27 | 127.4° | 120.0° |
| F38 | C34 | F40 | C27 | 123.9° | 120.0° |
| F38 | C34 | C27 | C26 | 111.1° | 120.0° |
| F38 | C34 | C27 | C21 | 70.0° | 60.0° |
| F36 | C34 | F40 | C27 | 121.0° | 120.0° |
| F36 | C34 | C27 | C26 | 14.2° | 0.0° |
| F36 | C34 | C27 | C21 | 164.7° | 180.0° |
| F40 | C34 | C27 | C26 | 129.7° | 120.0° |
| F40 | C34 | C27 | C21 | 49.2° | 60.0° |
| C34 | C27 | C21 | S19 | 0.8° | 0.2° |
| C34 | C27 | C26 | C21 | 178.9° | 179.9° |
| C34 | C27 | C26 | C25 | 179.2° | 179.9° |
| C34 | C27 | C21 | C23 | 179.2° | 179.9° |
| C34 | C27 | C26 | H16 | 0.8° | 0.0° |
| S19 | C21 | C27 | C26 | 179.6° | 179.7° |
| S19 | C21 | C27 | C23 | 179.9° | 179.7° |
| C21 | S19 | C17 | C15 | 73.5° | 180.0° |
| S19 | C21 | C23 | C24 | 179.8° | 179.7° |
| C21 | S19 | C17 | H1 | 46.3° | 60.0° |
| C21 | S19 | C17 | H2 | 166.6° | 60.0° |
| S19 | C21 | C23 | H14 | 0.2° | 0.4° |
| C17 | S19 | C21 | C27 | 149.6° | 179.7° |
| C17 | S19 | C21 | C23 | 30.4° | 0.0° |
| S19 | C17 | C15 | H1 | 119.9° | 120.0° |
| S19 | C17 | C15 | H2 | 119.9° | 120.0° |
| S19 | C17 | C15 | N5 | 174.1° | 180.0° |
| S19 | C17 | H1 | H2 | 120.4° | 120.0° |
| S19 | C17 | C15 | H3 | 53.3° | 60.0° |
| S19 | C17 | C15 | H4 | 65.2° | 60.1° |
| C27 | C26 | C25 | H16 | 180.0° | 180.0° |
| C26 | C27 | C21 | C23 | 0.3° | 0.0° |
| C27 | C26 | C25 | C24 | 0.2° | 0.0° |
| C27 | C26 | C25 | H15 | 179.8° | 180.0° |
| C21 | C27 | C26 | C25 | 0.4° | 0.0° |
| C27 | C21 | C23 | C24 | 0.3° | 0.0° |
| C27 | C21 | C23 | H14 | 179.7° | 180.0° |
| C21 | C27 | C26 | H16 | 179.6° | 180.0° |
| F13 | C2 | C1 | C6 | 72.7° | 62.2° |
| F13 | C2 | C3 | C4 | 70.0° | 62.3° |
| F13 | C2 | C1 | C3 | 121.3° | 119.8° |
| F13 | C2 | C1 | H13 | 118.3° | 120.2° |
| F13 | C2 | C3 | H13 | 118.2° | 120.2° |
| F13 | C2 | C1 | H5 | 167.2° | 177.8° |
| F13 | C2 | C1 | H6 | 47.4° | 57.7° |
| F13 | C2 | C3 | H11 | 49.9° | 57.7° |
| F13 | C2 | C3 | H12 | 170.1° | 177.8° |
| C26 | C25 | C24 | H15 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 0.8° | 0.0° |
| C26 | C25 | C24 | C42 | 179.0° | 180.0° |
| C21 | C23 | C24 | C25 | 0.8° | 0.1° |
| C21 | C23 | C24 | H14 | 180.0° | 179.9° |
| C21 | C23 | C24 | C42 | 179.1° | 180.0° |
| C17 | C15 | N5 | H3 | 120.7° | 120.0° |
| C17 | C15 | N5 | H4 | 120.7° | 120.0° |
| C17 | C15 | N5 | C6 | 62.9° | 170.0° |
| C17 | C15 | N5 | C4 | 175.6° | 65.7° |
| C15 | C17 | H1 | H2 | 120.3° | 120.0° |
| C17 | C15 | H3 | H4 | 117.7° | 120.0° |
| C15 | N5 | C6 | C4 | 121.8° | 124.1° |
| C15 | N5 | C6 | C1 | 178.1° | 174.1° |
| C15 | N5 | C4 | C3 | 173.3° | 174.2° |
| N5 | C15 | C17 | H1 | 66.1° | 60.0° |
| N5 | C15 | C17 | H2 | 54.2° | 60.0° |
| N5 | C15 | H3 | H4 | 117.7° | 120.0° |
| C15 | N5 | C6 | H7 | 57.8° | 65.8° |
| C15 | N5 | C6 | H8 | 61.6° | 54.2° |
| C15 | N5 | C4 | H9 | 66.5° | 54.1° |
| C15 | N5 | C4 | H10 | 53.0° | 65.8° |
| N5 | C6 | C1 | H7 | 120.3° | 120.1° |
| N5 | C6 | C1 | H8 | 120.3° | 120.0° |
| C6 | N5 | C4 | C3 | 63.9° | 61.7° |
| N5 | C6 | C1 | C2 | 51.9° | 59.2° |
| C6 | N5 | C15 | H3 | 57.8° | 50.0° |
| C6 | N5 | C15 | H4 | 176.3° | 70.0° |
| N5 | C6 | C1 | H5 | 68.1° | 60.7° |
| N5 | C6 | C1 | H6 | 172.0° | 179.1° |
| N5 | C6 | H7 | H8 | 119.1° | 120.0° |
| C6 | N5 | C4 | H9 | 56.3° | 178.2° |
| C6 | N5 | C4 | H10 | 175.8° | 58.3° |
| C1 | C6 | N5 | C4 | 60.2° | 61.8° |
| C6 | C1 | C2 | H5 | 120.1° | 120.0° |
| C6 | C1 | C2 | H6 | 120.1° | 119.9° |
| C6 | C1 | C2 | C3 | 48.6° | 57.6° |
| C6 | C1 | H5 | H6 | 119.7° | 120.1° |
| C1 | C6 | H7 | H8 | 119.1° | 119.9° |
| C6 | C1 | C2 | H13 | 169.0° | 177.6° |
| N5 | C4 | C3 | H9 | 120.3° | 120.0° |
| N5 | C4 | C3 | H10 | 120.3° | 120.0° |
| N5 | C4 | C3 | C2 | 58.6° | 59.1° |
| C4 | N5 | C15 | H3 | 63.6° | 174.2° |
| C4 | N5 | C15 | H4 | 54.9° | 54.2° |
| C4 | N5 | C6 | H7 | 179.6° | 58.3° |
| C4 | N5 | C6 | H8 | 60.1° | 178.3° |
| N5 | C4 | H9 | H10 | 119.2° | 119.9° |
| N5 | C4 | C3 | H11 | 178.5° | 179.1° |
| N5 | C4 | C3 | H12 | 61.3° | 60.8° |
| C4 | C3 | C2 | C1 | 51.5° | 57.6° |
| C4 | C3 | C2 | H11 | 119.9° | 120.0° |
| C4 | C3 | C2 | H12 | 119.9° | 119.9° |
| C3 | C4 | H9 | H10 | 119.2° | 120.0° |
| C4 | C3 | H11 | H12 | 120.2° | 120.1° |
| C4 | C3 | C2 | H13 | 171.8° | 177.5° |
| C1 | C2 | C3 | H13 | 120.3° | 119.9° |
| C2 | C1 | H5 | H6 | 119.7° | 120.1° |
| C2 | C1 | C6 | H7 | 172.2° | 60.9° |
| C2 | C1 | C6 | H8 | 68.4° | 179.2° |
| C1 | C2 | C3 | H11 | 171.5° | 177.6° |
| C1 | C2 | C3 | H12 | 68.4° | 62.3° |
| C3 | C2 | C1 | H5 | 71.5° | 62.3° |
| C3 | C2 | C1 | H6 | 168.7° | 177.6° |
| C2 | C3 | C4 | H9 | 61.7° | 179.2° |
| C2 | C3 | C4 | H10 | 178.9° | 60.9° |
| C2 | C3 | H11 | H12 | 120.3° | 120.1° |
| C25 | C24 | C23 | C42 | 178.2° | 180.0° |
| C25 | C24 | C42 | N47 | 39.0° | 145.0° |
| C25 | C24 | C42 | C44 | 139.2° | 34.7° |
| C25 | C24 | C23 | H14 | 179.2° | 180.0° |
| C24 | C25 | C26 | H16 | 179.8° | 180.0° |
| C23 | C24 | C42 | N47 | 142.8° | 35.0° |
| C23 | C24 | C42 | C44 | 39.1° | 145.2° |
| C23 | C24 | C25 | H15 | 179.2° | 180.0° |
| C24 | C42 | N47 | C44 | 178.4° | 179.8° |
| C24 | C42 | N47 | N46 | 179.1° | 180.0° |
| C24 | C42 | C44 | C56 | 0.4° | 0.4° |
| C24 | C42 | C44 | C45 | 178.7° | 179.8° |
| C42 | C24 | C23 | H14 | 1.0° | 0.1° |
| C42 | C24 | C25 | H15 | 1.0° | 0.0° |
| N47 | C42 | C44 | C56 | 178.7° | 179.8° |
| N47 | C42 | C44 | C45 | 0.4° | 0.0° |
| C42 | N47 | N46 | C45 | 0.8° | 0.4° |
| C42 | N47 | N46 | C62 | 179.9° | 179.8° |
| C44 | C42 | N47 | N46 | 0.7° | 0.3° |
| C42 | C44 | C56 | C45 | 178.9° | 179.8° |
| C42 | C44 | C56 | N55 | 150.2° | 169.0° |
| C42 | C44 | C45 | N46 | 0.1° | 0.2° |
| C42 | C44 | C45 | C53 | 179.5° | 179.7° |
| C42 | C44 | C56 | H21 | 30.7° | 71.6° |
| C42 | C44 | C56 | H22 | 90.3° | 49.6° |
| N47 | N46 | C45 | C44 | 0.5° | 0.4° |
| N47 | N46 | C45 | C62 | 179.3° | 179.8° |
| N47 | N46 | C45 | C53 | 179.9° | 179.5° |
| N47 | N46 | C62 | C64 | 87.6° | 89.8° |
| N47 | N46 | C62 | H23 | 33.1° | 150.3° |
| N47 | N46 | C62 | H24 | 151.6° | 30.2° |
| C44 | C56 | N55 | H21 | 119.5° | 119.4° |
| C44 | C56 | N55 | H22 | 119.5° | 119.4° |
| C44 | C56 | N55 | C83 | 114.4° | 135.8° |
| C44 | C56 | N55 | C54 | 63.2° | 44.3° |
| C56 | C44 | C45 | N46 | 179.3° | 179.6° |
| C56 | C44 | C45 | C53 | 1.3° | 0.5° |
| C44 | C56 | H21 | H22 | 121.5° | 121.1° |
| C56 | N55 | C83 | O85 | 1.7° | 0.1° |
| N55 | C56 | C44 | C45 | 28.7° | 11.3° |
| C56 | N55 | C83 | C54 | 177.3° | 180.0° |
| C56 | N55 | C83 | C87 | 178.9° | 180.0° |
| C56 | N55 | C54 | C53 | 66.4° | 64.5° |
| C56 | N55 | C54 | H19 | 173.5° | 175.5° |
| C56 | N55 | C54 | H20 | 53.7° | 55.4° |
| N55 | C56 | H21 | H22 | 121.5° | 121.1° |
| O85 | C83 | N55 | C87 | 179.4° | 180.0° |
| O85 | C83 | N55 | C54 | 179.0° | 180.0° |
| O85 | C83 | C87 | O89 | 19.0° | 0.0° |
| O85 | C83 | C87 | H38 | 101.4° | 120.0° |
| O85 | C83 | C87 | H39 | 139.2° | 120.0° |
| C44 | C45 | N46 | C53 | 179.4° | 180.0° |
| C44 | C45 | N46 | C62 | 179.8° | 179.8° |
| C44 | C45 | C53 | C54 | 0.4° | 18.0° |
| C44 | C45 | C53 | H17 | 119.7° | 101.9° |
| C44 | C45 | C53 | H18 | 120.5° | 138.0° |
| C45 | C44 | C56 | H21 | 148.2° | 108.2° |
| C45 | C44 | C56 | H22 | 90.8° | 130.6° |
| C75 | C76 | N70 | H36 | 120.4° | 120.0° |
| C75 | C76 | N70 | H37 | 120.4° | 120.1° |
| C76 | C75 | C74 | H34 | 120.2° | 119.9° |
| C76 | C75 | C74 | H35 | 120.2° | 120.0° |
| C75 | C76 | N70 | C68 | 177.5° | 174.2° |
| C75 | C76 | N70 | C72 | 59.3° | 61.7° |
| C76 | C75 | C74 | C73 | 52.6° | 57.7° |
| C76 | C75 | C74 | H32 | 172.9° | 62.2° |
| C76 | C75 | C74 | H33 | 67.6° | 177.6° |
| C76 | C75 | H34 | H35 | 119.4° | 120.1° |
| C75 | C76 | H36 | H37 | 118.9° | 120.0° |
| N70 | C76 | C75 | C74 | 57.4° | 59.2° |
| C76 | N70 | C68 | C72 | 122.3° | 124.2° |
| C76 | N70 | C68 | C64 | 177.9° | 170.0° |
| C76 | N70 | C72 | C73 | 57.9° | 61.8° |
| C76 | N70 | C68 | H26 | 61.8° | 50.0° |
| C76 | N70 | C68 | H27 | 57.5° | 70.0° |
| C76 | N70 | C72 | H28 | 62.6° | 178.2° |
| C76 | N70 | C72 | H29 | 178.3° | 58.2° |
| N70 | C76 | C75 | H34 | 62.8° | 179.1° |
| N70 | C76 | C75 | H35 | 177.6° | 60.8° |
| N70 | C76 | H36 | H37 | 118.9° | 120.0° |
| N55 | C83 | C87 | O89 | 161.7° | 179.9° |
| C83 | N55 | C54 | C53 | 111.1° | 115.6° |
| C83 | N55 | C54 | H19 | 9.0° | 4.4° |
| C83 | N55 | C54 | H20 | 128.8° | 124.5° |
| C83 | N55 | C56 | H21 | 5.1° | 104.8° |
| C83 | N55 | C56 | H22 | 126.1° | 16.4° |
| N55 | C83 | C87 | H38 | 78.0° | 60.0° |
| N55 | C83 | C87 | H39 | 41.4° | 60.0° |
| C87 | C83 | N55 | C54 | 1.6° | 0.0° |
| C83 | C87 | O89 | H38 | 120.3° | 119.9° |
| C83 | C87 | O89 | H39 | 120.3° | 120.1° |
| C83 | C87 | H38 | H39 | 119.1° | 120.1° |
| C83 | C87 | O89 | H43 | 8.3° | 180.0° |
| N55 | C54 | C53 | C45 | 30.9° | 45.4° |
| N55 | C54 | C53 | H19 | 120.1° | 119.9° |
| N55 | C54 | C53 | H20 | 120.1° | 119.9° |
| N55 | C54 | C53 | H17 | 151.0° | 74.4° |
| N55 | C54 | C53 | H18 | 89.3° | 165.3° |
| N55 | C54 | H19 | H20 | 119.8° | 120.1° |
| C54 | N55 | C56 | H21 | 177.3° | 75.2° |
| C54 | N55 | C56 | H22 | 56.3° | 163.7° |
| C45 | N46 | C62 | C64 | 93.1° | 90.0° |
| N46 | C45 | C53 | C54 | 179.7° | 162.1° |
| N46 | C45 | C53 | H17 | 59.5° | 78.1° |
| N46 | C45 | C53 | H18 | 60.2° | 42.1° |
| C45 | N46 | C62 | H23 | 146.1° | 29.9° |
| C45 | N46 | C62 | H24 | 27.6° | 150.0° |
| C62 | N46 | C45 | C53 | 0.8° | 0.2° |
| N46 | C62 | C64 | C68 | 75.5° | 175.0° |
| N46 | C62 | C64 | H23 | 120.8° | 120.0° |
| N46 | C62 | C64 | H24 | 120.8° | 120.0° |
| N46 | C62 | C64 | O66 | 49.4° | 65.0° |
| N46 | C62 | H23 | H24 | 117.7° | 120.1° |
| N46 | C62 | C64 | H25 | 167.7° | 55.0° |
| C75 | C74 | C73 | H32 | 120.2° | 119.9° |
| C75 | C74 | C73 | H33 | 120.2° | 119.9° |
| C75 | C74 | C73 | C72 | 51.3° | 57.7° |
| C75 | C74 | C73 | H30 | 69.0° | 177.6° |
| C75 | C74 | C73 | H31 | 171.6° | 62.3° |
| C75 | C74 | H32 | H33 | 119.4° | 120.2° |
| C74 | C75 | H34 | H35 | 119.4° | 120.1° |
| C74 | C75 | C76 | H36 | 62.9° | 60.8° |
| C74 | C75 | C76 | H37 | 177.8° | 179.2° |
| C45 | C53 | C54 | H17 | 120.1° | 119.8° |
| C45 | C53 | C54 | H18 | 120.1° | 119.9° |
| C45 | C53 | H17 | H18 | 119.7° | 120.2° |
| C45 | C53 | C54 | H19 | 150.9° | 165.3° |
| C45 | C53 | C54 | H20 | 89.2° | 74.6° |
| N70 | C68 | C64 | H26 | 120.3° | 120.0° |
| N70 | C68 | C64 | H27 | 120.4° | 120.0° |
| N70 | C68 | C64 | C62 | 173.2° | 180.0° |
| N70 | C68 | C64 | O66 | 60.9° | 60.0° |
| C68 | N70 | C72 | C73 | 179.1° | 174.2° |
| N70 | C68 | C64 | H25 | 56.5° | 60.0° |
| N70 | C68 | H26 | H27 | 119.0° | 120.0° |
| C68 | N70 | C72 | H28 | 60.4° | 54.2° |
| C68 | N70 | C72 | H29 | 58.7° | 65.9° |
| C68 | N70 | C76 | H36 | 62.1° | 65.9° |
| C68 | N70 | C76 | H37 | 57.1° | 54.1° |
| C64 | C68 | N70 | C72 | 59.9° | 65.8° |
| C68 | C64 | C62 | O66 | 124.8° | 120.0° |
| C68 | C64 | C62 | H25 | 116.8° | 120.0° |
| C68 | C64 | O66 | H25 | 116.8° | 119.9° |
| C68 | C64 | C62 | H23 | 45.3° | 55.0° |
| C68 | C64 | C62 | H24 | 163.8° | 65.0° |
| C64 | C68 | H26 | H27 | 119.0° | 120.1° |
| C68 | C64 | O66 | H42 | 180.0° | 60.1° |
| N70 | C72 | C73 | C74 | 54.7° | 59.2° |
| N70 | C72 | C73 | H28 | 120.4° | 120.0° |
| N70 | C72 | C73 | H29 | 120.4° | 120.0° |
| C72 | N70 | C68 | H26 | 60.5° | 174.2° |
| C72 | N70 | C68 | H27 | 179.8° | 54.2° |
| N70 | C72 | H28 | H29 | 118.7° | 120.0° |
| N70 | C72 | C73 | H30 | 65.6° | 179.1° |
| N70 | C72 | C73 | H31 | 175.0° | 60.8° |
| C72 | N70 | C76 | H36 | 61.1° | 58.2° |
| C72 | N70 | C76 | H37 | 179.6° | 178.2° |
| C62 | C64 | O66 | H25 | 117.8° | 120.0° |
| C64 | C62 | H23 | H24 | 117.6° | 120.0° |
| C62 | C64 | C68 | H26 | 52.9° | 60.0° |
| C62 | C64 | C68 | H27 | 66.4° | 60.0° |
| C62 | C64 | O66 | H42 | 54.6° | 60.0° |
| O89 | C87 | H38 | H39 | 119.1° | 120.0° |
| C54 | C53 | H17 | H18 | 119.6° | 120.4° |
| C53 | C54 | H19 | H20 | 119.8° | 120.1° |
| C74 | C73 | C72 | H30 | 120.3° | 119.9° |
| C74 | C73 | C72 | H31 | 120.3° | 120.0° |
| C74 | C73 | C72 | H28 | 65.8° | 179.3° |
| C74 | C73 | C72 | H29 | 175.1° | 60.8° |
| C74 | C73 | H30 | H31 | 119.1° | 120.2° |
| C73 | C74 | H32 | H33 | 119.4° | 120.2° |
| C73 | C74 | C75 | H34 | 67.6° | 177.6° |
| C73 | C74 | C75 | H35 | 172.8° | 62.3° |
| O66 | C64 | C62 | H23 | 170.1° | 175.0° |
| O66 | C64 | C62 | H24 | 71.4° | 55.0° |
| O66 | C64 | C68 | H26 | 178.7° | 60.0° |
| O66 | C64 | C68 | H27 | 59.4° | 179.9° |
| C73 | C72 | H28 | H29 | 118.7° | 119.9° |
| C72 | C73 | H30 | H31 | 119.1° | 120.1° |
| C72 | C73 | C74 | H32 | 171.5° | 62.2° |
| C72 | C73 | C74 | H33 | 68.9° | 177.6° |
| H1 | C17 | C15 | H3 | 173.2° | 60.0° |
| H1 | C17 | C15 | H4 | 54.7° | 180.0° |
| H2 | C17 | C15 | H3 | 66.5° | 180.0° |
| H2 | C17 | C15 | H4 | 174.9° | 60.0° |
| H5 | C1 | C6 | H7 | 52.2° | 179.2° |
| H5 | C1 | C6 | H8 | 171.6° | 59.3° |
| H5 | C1 | C2 | H13 | 49.0° | 57.6° |
| H6 | C1 | C6 | H7 | 67.7° | 59.0° |
| H6 | C1 | C6 | H8 | 51.7° | 60.9° |
| H6 | C1 | C2 | H13 | 70.9° | 62.5° |
| H9 | C4 | C3 | H11 | 58.3° | 60.9° |
| H9 | C4 | C3 | H12 | 178.4° | 59.2° |
| H10 | C4 | C3 | H11 | 61.2° | 59.1° |
| H10 | C4 | C3 | H12 | 58.9° | 179.2° |
| H11 | C3 | C2 | H13 | 68.3° | 62.5° |
| H12 | C3 | C2 | H13 | 51.9° | 57.6° |
| H15 | C25 | C26 | H16 | 0.2° | 0.1° |
| H17 | C53 | C54 | H19 | 89.0° | 45.5° |
| H17 | C53 | C54 | H20 | 30.9° | 165.6° |
| H18 | C53 | C54 | H19 | 30.8° | 74.8° |
| H18 | C53 | C54 | H20 | 150.7° | 45.4° |
| H23 | C62 | C64 | H25 | 71.5° | 65.0° |
| H24 | C62 | C64 | H25 | 47.0° | 175.0° |
| H25 | C64 | C68 | H26 | 63.9° | 179.9° |
| H25 | C64 | C68 | H27 | 176.8° | 60.0° |
| H25 | C64 | O66 | H42 | 63.2° | 180.0° |
| H28 | C72 | C73 | H30 | 173.9° | 60.9° |
| H28 | C72 | C73 | H31 | 54.5° | 59.2° |
| H29 | C72 | C73 | H30 | 54.8° | 59.1° |
| H29 | C72 | C73 | H31 | 64.6° | 179.2° |
| H30 | C73 | C74 | H32 | 51.3° | 57.7° |
| H30 | C73 | C74 | H33 | 170.8° | 62.5° |
| H31 | C73 | C74 | H32 | 68.2° | 177.8° |
| H31 | C73 | C74 | H33 | 51.4° | 57.6° |
| H32 | C74 | C75 | H34 | 52.7° | 57.6° |
| H32 | C74 | C75 | H35 | 67.0° | 177.8° |
| H33 | C74 | C75 | H34 | 172.2° | 62.5° |
| H33 | C74 | C75 | H35 | 52.6° | 57.6° |
| H34 | C75 | C76 | H36 | 176.8° | 59.2° |
| H34 | C75 | C76 | H37 | 57.6° | 60.8° |
| H35 | C75 | C76 | H36 | 57.2° | 179.2° |
| H35 | C75 | C76 | H37 | 62.0° | 59.2° |
| H38 | C87 | O89 | H43 | 111.9° | 60.1° |
| H39 | C87 | O89 | H43 | 128.7° | 59.9° |
