Y8Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.45Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C7 | sing | 1.51Å | 1.54Å | |
| C3 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C8 | sing | 1.51Å | 1.49Å | |
| C7 | C12 | sing | 1.53Å | 1.58Å | |
| C7 | N17 | sing | 1.46Å | 1.48Å | |
| C8 | F11 | sing | 1.40Å | 1.35Å | |
| C8 | F9 | sing | 1.40Å | 1.34Å | |
| C8 | F10 | sing | 1.40Å | 1.33Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C13 | N14 | sing | 1.35Å | 1.36Å | |
| C13 | O15 | doub | 1.21Å | 1.19Å | |
| N14 | C16 | sing | 1.46Å | 1.46Å | |
| N17 | C18 | sing | 1.35Å | 1.43Å | |
| C18 | C19 | sing | 1.51Å | 1.49Å | |
| C18 | O20 | doub | 1.21Å | 1.26Å | |
| C19 | O21 | sing | 1.43Å | 1.49Å | |
| O21 | C22 | sing | 1.36Å | 1.40Å | |
| C22 | C23 | doub | 1.39Å | 1.37Å | Aromatic |
| C22 | C27 | sing | 1.39Å | 1.42Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.42Å | Aromatic |
| C23 | O28 | sing | 1.36Å | 1.40Å | |
| C24 | C25 | doub | 1.38Å | 1.44Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.41Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.45Å | Aromatic |
| C27 | C30 | sing | 1.51Å | 1.55Å | |
| O28 | C29 | sing | 1.43Å | 1.47Å | |
| C30 | N31 | sing | 1.47Å | 1.49Å | |
| N31 | C32 | sing | 1.47Å | 1.54Å | |
| N31 | C33 | sing | 1.47Å | 1.50Å | |
| C32 | C34 | sing | 1.51Å | 1.48Å | |
| C34 | N35 | doub | 1.29Å | 1.35Å | Aromatic |
| C34 | S38 | sing | 1.71Å | 1.78Å | Aromatic |
| N35 | C36 | sing | 1.32Å | 1.44Å | Aromatic |
| C36 | C37 | doub | 1.34Å | 1.39Å | Aromatic |
| C36 | C39 | sing | 1.51Å | 1.48Å | |
| C37 | S38 | sing | 1.76Å | 1.71Å | Aromatic |
| C16 | H50 | sing | 1.09Å | 1.10Å | |
| C16 | H48 | sing | 1.09Å | 1.10Å | |
| C16 | H49 | sing | 1.09Å | 1.10Å | |
| C19 | H52 | sing | 1.09Å | 1.10Å | |
| C19 | H53 | sing | 1.09Å | 1.10Å | |
| C24 | H54 | sing | 1.08Å | 1.08Å | |
| C25 | H55 | sing | 1.08Å | 1.08Å | |
| C26 | H56 | sing | 1.08Å | 1.08Å | |
| C1 | H40 | sing | 1.08Å | 1.08Å | |
| C2 | H41 | sing | 1.08Å | 1.08Å | |
| C4 | H42 | sing | 1.08Å | 1.08Å | |
| C6 | H43 | sing | 1.08Å | 1.08Å | |
| C7 | H44 | sing | 1.09Å | 1.10Å | |
| C12 | H45 | sing | 1.09Å | 1.10Å | |
| C12 | H46 | sing | 1.09Å | 1.10Å | |
| N14 | H47 | sing | 0.97Å | 1.00Å | |
| N17 | H51 | sing | 0.97Å | 1.00Å | |
| C29 | H59 | sing | 1.09Å | 1.10Å | |
| C29 | H57 | sing | 1.09Å | 1.10Å | |
| C29 | H58 | sing | 1.09Å | 1.10Å | |
| C30 | H60 | sing | 1.09Å | 1.10Å | |
| C30 | H61 | sing | 1.09Å | 1.10Å | |
| C32 | H63 | sing | 1.09Å | 1.10Å | |
| C32 | H62 | sing | 1.09Å | 1.10Å | |
| C33 | H66 | sing | 1.09Å | 1.10Å | |
| C33 | H64 | sing | 1.09Å | 1.10Å | |
| C33 | H65 | sing | 1.09Å | 1.10Å | |
| C37 | H67 | sing | 1.08Å | 1.08Å | |
| C39 | H70 | sing | 1.09Å | 1.10Å | |
| C39 | H68 | sing | 1.09Å | 1.10Å | |
| C39 | H69 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C2 | 118.7° | 120.0° |
| C1 | C6 | C5 | 119.4° | 120.0° |
| C6 | C1 | H40 | 120.7° | 120.0° |
| C1 | C6 | H43 | 120.3° | 120.0° |
| C1 | C2 | C3 | 119.7° | 120.0° |
| C2 | C1 | H40 | 120.6° | 120.0° |
| C1 | C2 | H41 | 120.1° | 120.0° |
| C2 | C3 | C7 | 117.8° | 120.0° |
| C2 | C3 | C4 | 121.3° | 120.0° |
| C3 | C2 | H41 | 120.2° | 120.0° |
| C7 | C3 | C4 | 120.8° | 120.0° |
| C3 | C7 | C12 | 112.6° | 109.4° |
| C3 | C7 | N17 | 109.6° | 109.5° |
| C3 | C7 | H44 | 109.7° | 109.4° |
| C3 | C4 | C5 | 117.3° | 120.0° |
| C3 | C4 | H42 | 121.3° | 120.0° |
| C4 | C5 | C6 | 123.5° | 120.0° |
| C4 | C5 | C8 | 118.7° | 120.0° |
| C5 | C4 | H42 | 121.4° | 120.0° |
| C6 | C5 | C8 | 117.8° | 120.0° |
| C5 | C6 | H43 | 120.3° | 120.0° |
| C5 | C8 | F11 | 113.1° | 109.4° |
| C5 | C8 | F9 | 114.7° | 109.4° |
| C5 | C8 | F10 | 111.7° | 109.5° |
| C12 | C7 | N17 | 105.1° | 109.5° |
| C7 | C12 | C13 | 110.3° | 109.5° |
| C12 | C7 | H44 | 109.2° | 109.4° |
| C7 | C12 | H45 | 109.2° | 109.5° |
| C7 | C12 | H46 | 109.3° | 109.4° |
| C7 | N17 | C18 | 119.9° | 120.0° |
| N17 | C7 | H44 | 110.5° | 109.5° |
| C7 | N17 | H51 | 120.0° | 120.0° |
| F11 | C8 | F9 | 103.8° | 109.5° |
| F11 | C8 | F10 | 105.9° | 109.5° |
| F9 | C8 | F10 | 107.0° | 109.5° |
| C12 | C13 | N14 | 116.1° | 120.0° |
| C12 | C13 | O15 | 122.3° | 120.0° |
| C13 | C12 | H45 | 109.3° | 109.5° |
| C13 | C12 | H46 | 109.3° | 109.4° |
| N14 | C13 | O15 | 121.4° | 120.1° |
| C13 | N14 | C16 | 121.1° | 119.9° |
| C13 | N14 | H47 | 119.4° | 120.0° |
| N14 | C16 | H50 | 109.5° | 109.4° |
| N14 | C16 | H48 | 109.5° | 109.4° |
| N14 | C16 | H49 | 109.5° | 109.5° |
| C16 | N14 | H47 | 119.4° | 120.1° |
| N17 | C18 | C19 | 115.9° | 120.0° |
| N17 | C18 | O20 | 119.9° | 120.0° |
| C18 | N17 | H51 | 120.1° | 120.0° |
| C19 | C18 | O20 | 124.2° | 120.0° |
| C18 | C19 | O21 | 107.3° | 109.5° |
| C18 | C19 | H52 | 110.0° | 109.5° |
| C18 | C19 | H53 | 110.0° | 109.4° |
| C19 | O21 | C22 | 116.9° | 117.0° |
| O21 | C19 | H52 | 110.0° | 109.5° |
| O21 | C19 | H53 | 110.0° | 109.4° |
| O21 | C22 | C23 | 117.6° | 120.1° |
| O21 | C22 | C27 | 119.7° | 120.1° |
| C23 | C22 | C27 | 122.7° | 119.9° |
| C22 | C23 | C24 | 122.1° | 119.9° |
| C22 | C23 | O28 | 114.6° | 120.1° |
| C22 | C27 | C26 | 117.3° | 120.0° |
| C22 | C27 | C30 | 120.5° | 120.0° |
| C24 | C23 | O28 | 123.3° | 120.1° |
| C23 | C24 | C25 | 116.1° | 120.0° |
| C23 | C24 | H54 | 122.0° | 120.0° |
| C23 | O28 | C29 | 114.8° | 117.0° |
| C24 | C25 | C26 | 123.2° | 120.1° |
| C25 | C24 | H54 | 121.9° | 119.9° |
| C24 | C25 | H55 | 118.4° | 120.0° |
| C25 | C26 | C27 | 118.4° | 120.1° |
| C26 | C25 | H55 | 118.4° | 119.9° |
| C25 | C26 | H56 | 120.8° | 119.9° |
| C26 | C27 | C30 | 122.1° | 120.0° |
| C27 | C26 | H56 | 120.8° | 120.0° |
| C27 | C30 | N31 | 112.7° | 109.4° |
| C27 | C30 | H60 | 108.7° | 109.5° |
| C27 | C30 | H61 | 108.6° | 109.5° |
| O28 | C29 | H59 | 109.5° | 109.5° |
| O28 | C29 | H57 | 109.4° | 109.5° |
| O28 | C29 | H58 | 109.5° | 109.5° |
| C30 | N31 | C32 | 109.9° | 111.0° |
| C30 | N31 | C33 | 105.9° | 111.0° |
| N31 | C30 | H60 | 108.6° | 109.4° |
| N31 | C30 | H61 | 108.7° | 109.5° |
| C32 | N31 | C33 | 113.4° | 111.0° |
| N31 | C32 | C34 | 105.8° | 109.4° |
| N31 | C32 | H63 | 110.4° | 109.5° |
| N31 | C32 | H62 | 110.4° | 109.5° |
| N31 | C33 | H66 | 109.5° | 109.5° |
| N31 | C33 | H64 | 109.5° | 109.5° |
| N31 | C33 | H65 | 109.5° | 109.5° |
| C32 | C34 | N35 | 127.1° | 124.9° |
| C32 | C34 | S38 | 119.1° | 124.9° |
| C34 | C32 | H63 | 110.4° | 109.4° |
| C34 | C32 | H62 | 110.4° | 109.5° |
| N35 | C34 | S38 | 113.8° | 110.2° |
| C34 | N35 | C36 | 108.7° | 117.1° |
| C34 | S38 | C37 | 91.4° | 90.3° |
| N35 | C36 | C37 | 116.8° | 114.5° |
| N35 | C36 | C39 | 116.4° | 122.7° |
| C37 | C36 | C39 | 126.8° | 122.8° |
| C36 | C37 | S38 | 109.2° | 107.9° |
| C36 | C37 | H67 | 125.4° | 126.1° |
| C36 | C39 | H70 | 109.5° | 109.4° |
| C36 | C39 | H68 | 109.4° | 109.4° |
| C36 | C39 | H69 | 109.5° | 109.5° |
| S38 | C37 | H67 | 125.4° | 126.0° |
| H50 | C16 | H48 | 109.5° | 109.4° |
| H50 | C16 | H49 | 109.4° | 109.5° |
| H48 | C16 | H49 | 109.5° | 109.5° |
| H52 | C19 | H53 | 109.4° | 109.5° |
| H45 | C12 | H46 | 109.5° | 109.4° |
| H59 | C29 | H57 | 109.5° | 109.5° |
| H59 | C29 | H58 | 109.5° | 109.4° |
| H57 | C29 | H58 | 109.5° | 109.5° |
| H60 | C30 | H61 | 109.5° | 109.5° |
| H63 | C32 | H62 | 109.5° | 109.5° |
| H66 | C33 | H64 | 109.4° | 109.4° |
| H66 | C33 | H65 | 109.5° | 109.4° |
| H64 | C33 | H65 | 109.5° | 109.5° |
| H70 | C39 | H68 | 109.5° | 109.5° |
| H70 | C39 | H69 | 109.4° | 109.5° |
| H68 | C39 | H69 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C2 | H40 | 180.0° | 179.8° |
| C6 | C1 | C2 | C3 | 0.9° | 0.1° |
| C1 | C6 | C5 | C4 | 0.2° | 0.0° |
| C1 | C6 | C5 | H43 | 180.0° | 180.0° |
| C1 | C6 | C5 | C8 | 179.1° | 180.0° |
| C6 | C1 | C2 | H41 | 179.1° | 180.0° |
| C1 | C2 | C3 | H41 | 180.0° | 179.9° |
| C1 | C2 | C3 | C7 | 178.2° | 179.9° |
| C1 | C2 | C3 | C4 | 1.0° | 0.1° |
| C2 | C1 | C6 | C5 | 1.5° | 0.0° |
| C2 | C1 | C6 | H43 | 178.5° | 180.0° |
| C2 | C3 | C7 | C4 | 177.2° | 180.0° |
| C2 | C3 | C4 | C5 | 2.2° | 0.0° |
| C2 | C3 | C7 | C12 | 112.8° | 80.0° |
| C2 | C3 | C7 | N17 | 130.6° | 40.0° |
| C3 | C2 | C1 | H40 | 179.1° | 179.7° |
| C2 | C3 | C4 | H42 | 177.8° | 180.0° |
| C2 | C3 | C7 | H44 | 9.1° | 160.1° |
| C7 | C3 | C4 | C5 | 179.3° | 180.0° |
| C3 | C7 | C12 | N17 | 119.3° | 120.0° |
| C3 | C7 | C12 | H44 | 122.2° | 119.9° |
| C3 | C7 | N17 | H44 | 121.0° | 120.0° |
| C3 | C7 | C12 | C13 | 60.5° | 67.0° |
| C3 | C7 | N17 | C18 | 80.0° | 155.0° |
| C7 | C3 | C2 | H41 | 1.8° | 0.0° |
| C7 | C3 | C4 | H42 | 0.6° | 0.0° |
| C3 | C7 | C12 | H45 | 179.3° | 53.1° |
| C3 | C7 | C12 | H46 | 59.6° | 173.0° |
| C3 | C7 | N17 | H51 | 100.0° | 25.1° |
| C3 | C4 | C5 | H42 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.7° | 0.0° |
| C3 | C4 | C5 | C8 | 179.0° | 180.0° |
| C4 | C3 | C7 | C12 | 64.5° | 100.0° |
| C4 | C3 | C7 | N17 | 52.2° | 140.0° |
| C4 | C3 | C2 | H41 | 179.0° | 180.0° |
| C4 | C3 | C7 | H44 | 173.7° | 19.9° |
| C4 | C5 | C6 | C8 | 179.3° | 180.0° |
| C4 | C5 | C8 | F11 | 101.8° | 90.0° |
| C4 | C5 | C8 | F9 | 17.0° | 150.0° |
| C4 | C5 | C8 | F10 | 138.9° | 30.0° |
| C4 | C5 | C6 | H43 | 179.8° | 180.0° |
| C6 | C5 | C8 | F11 | 77.5° | 90.0° |
| C6 | C5 | C8 | F9 | 163.7° | 30.0° |
| C6 | C5 | C8 | F10 | 41.8° | 150.0° |
| C5 | C6 | C1 | H40 | 178.5° | 179.7° |
| C6 | C5 | C4 | H42 | 178.3° | 180.0° |
| C5 | C8 | F11 | F9 | 124.9° | 119.9° |
| C5 | C8 | F11 | F10 | 122.6° | 120.0° |
| C5 | C8 | F9 | F10 | 124.5° | 120.0° |
| C8 | C5 | C4 | H42 | 1.0° | 0.0° |
| C8 | C5 | C6 | H43 | 0.9° | 0.0° |
| C12 | C7 | N17 | H44 | 117.7° | 120.0° |
| C7 | C12 | C13 | H45 | 120.1° | 120.0° |
| C7 | C12 | C13 | H46 | 120.1° | 120.0° |
| C7 | C12 | C13 | N14 | 46.2° | 172.5° |
| C7 | C12 | C13 | O15 | 129.3° | 7.1° |
| C12 | C7 | N17 | C18 | 158.7° | 85.0° |
| C7 | C12 | H45 | H46 | 119.6° | 119.9° |
| C12 | C7 | N17 | H51 | 21.3° | 94.9° |
| N17 | C7 | C12 | C13 | 179.8° | 173.0° |
| C7 | N17 | C18 | H51 | 180.0° | 180.0° |
| C7 | N17 | C18 | C19 | 177.3° | 175.0° |
| C7 | N17 | C18 | O20 | 0.9° | 5.2° |
| N17 | C7 | C12 | H45 | 60.1° | 66.9° |
| N17 | C7 | C12 | H46 | 59.7° | 53.0° |
| F11 | C8 | F9 | F10 | 111.7° | 120.1° |
| C12 | C13 | N14 | O15 | 175.5° | 179.7° |
| C12 | C13 | N14 | C16 | 177.5° | 179.8° |
| C13 | C12 | C7 | H44 | 61.6° | 52.9° |
| C13 | C12 | H45 | H46 | 119.6° | 120.0° |
| C12 | C13 | N14 | H47 | 2.4° | 0.4° |
| C13 | N14 | C16 | H47 | 180.0° | 179.9° |
| C13 | N14 | C16 | H50 | 180.0° | 180.0° |
| C13 | N14 | C16 | H48 | 60.0° | 60.1° |
| C13 | N14 | C16 | H49 | 60.0° | 59.9° |
| N14 | C13 | C12 | H45 | 74.0° | 52.5° |
| N14 | C13 | C12 | H46 | 166.3° | 67.5° |
| O15 | C13 | N14 | C16 | 2.1° | 0.1° |
| O15 | C13 | C12 | H45 | 110.6° | 127.2° |
| O15 | C13 | C12 | H46 | 9.2° | 112.9° |
| O15 | C13 | N14 | H47 | 177.9° | 180.0° |
| N14 | C16 | H50 | H48 | 120.0° | 119.9° |
| N14 | C16 | H50 | H49 | 120.0° | 120.1° |
| N14 | C16 | H48 | H49 | 120.0° | 120.0° |
| N17 | C18 | C19 | O20 | 176.2° | 179.9° |
| N17 | C18 | C19 | O21 | 6.5° | 180.0° |
| N17 | C18 | C19 | H52 | 126.1° | 59.9° |
| N17 | C18 | C19 | H53 | 113.2° | 60.1° |
| C18 | N17 | C7 | H44 | 41.1° | 35.0° |
| C18 | C19 | O21 | H52 | 119.7° | 120.0° |
| C18 | C19 | O21 | H53 | 119.7° | 119.9° |
| C18 | C19 | O21 | C22 | 134.5° | 175.2° |
| C18 | C19 | H52 | H53 | 121.0° | 120.0° |
| C19 | C18 | N17 | H51 | 2.7° | 5.0° |
| O20 | C18 | C19 | O21 | 169.7° | 0.1° |
| O20 | C18 | C19 | H52 | 50.0° | 120.0° |
| O20 | C18 | C19 | H53 | 70.6° | 120.0° |
| O20 | C18 | N17 | H51 | 179.1° | 174.9° |
| C19 | O21 | C22 | C23 | 113.8° | 84.6° |
| C19 | O21 | C22 | C27 | 65.6° | 95.6° |
| O21 | C19 | H52 | H53 | 121.0° | 120.0° |
| O21 | C22 | C23 | C27 | 179.3° | 179.7° |
| O21 | C22 | C23 | C24 | 180.0° | 179.7° |
| O21 | C22 | C23 | O28 | 0.1° | 0.3° |
| O21 | C22 | C27 | C26 | 179.7° | 179.8° |
| O21 | C22 | C27 | C30 | 1.3° | 0.3° |
| C22 | O21 | C19 | H52 | 105.8° | 64.7° |
| C22 | O21 | C19 | H53 | 14.8° | 55.3° |
| C22 | C23 | C24 | O28 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 2.1° | 0.0° |
| C23 | C22 | C27 | C26 | 0.4° | 0.1° |
| C23 | C22 | C27 | C30 | 178.0° | 180.0° |
| C22 | C23 | O28 | C29 | 171.5° | 180.0° |
| C22 | C23 | C24 | H54 | 177.9° | 180.0° |
| C27 | C22 | C23 | C24 | 0.7° | 0.0° |
| C27 | C22 | C23 | O28 | 179.4° | 180.0° |
| C22 | C27 | C26 | C25 | 1.7° | 0.1° |
| C22 | C27 | C26 | C30 | 178.3° | 179.9° |
| C22 | C27 | C30 | N31 | 159.4° | 78.8° |
| C22 | C27 | C26 | H56 | 178.3° | 180.0° |
| C22 | C27 | C30 | H60 | 38.9° | 41.1° |
| C22 | C27 | C30 | H61 | 80.1° | 161.1° |
| C23 | C24 | C25 | H54 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 3.6° | 0.0° |
| C24 | C23 | O28 | C29 | 8.5° | 0.0° |
| C23 | C24 | C25 | H55 | 176.4° | 180.0° |
| O28 | C23 | C24 | C25 | 177.9° | 180.0° |
| O28 | C23 | C24 | H54 | 2.1° | 0.1° |
| C23 | O28 | C29 | H59 | 180.0° | 60.0° |
| C23 | O28 | C29 | H57 | 60.0° | 180.0° |
| C23 | O28 | C29 | H58 | 60.0° | 60.0° |
| C24 | C25 | C26 | H55 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 3.4° | 0.1° |
| C24 | C25 | C26 | H56 | 176.6° | 180.0° |
| C25 | C26 | C27 | H56 | 180.0° | 179.9° |
| C25 | C26 | C27 | C30 | 176.6° | 180.0° |
| C26 | C25 | C24 | H54 | 176.4° | 179.9° |
| C26 | C27 | C30 | N31 | 22.3° | 101.2° |
| C27 | C26 | C25 | H55 | 176.6° | 180.0° |
| C26 | C27 | C30 | H60 | 142.8° | 138.8° |
| C26 | C27 | C30 | H61 | 98.2° | 18.8° |
| C27 | C30 | N31 | H60 | 120.5° | 120.0° |
| C27 | C30 | N31 | H61 | 120.5° | 120.0° |
| C27 | C30 | N31 | C32 | 69.1° | 166.6° |
| C27 | C30 | N31 | C33 | 168.0° | 69.5° |
| C30 | C27 | C26 | H56 | 3.4° | 0.1° |
| C27 | C30 | H60 | H61 | 118.5° | 120.0° |
| O28 | C29 | H59 | H57 | 120.0° | 120.0° |
| O28 | C29 | H59 | H58 | 120.0° | 120.0° |
| O28 | C29 | H57 | H58 | 120.0° | 120.1° |
| C30 | N31 | C32 | C33 | 118.3° | 123.9° |
| C30 | N31 | C32 | C34 | 168.6° | 170.0° |
| N31 | C30 | H60 | H61 | 118.5° | 120.0° |
| C30 | N31 | C32 | H63 | 49.2° | 50.1° |
| C30 | N31 | C32 | H62 | 72.0° | 70.0° |
| C30 | N31 | C33 | H66 | 180.0° | 62.7° |
| C30 | N31 | C33 | H64 | 60.0° | 177.4° |
| C30 | N31 | C33 | H65 | 60.0° | 57.3° |
| N31 | C32 | C34 | H63 | 119.4° | 119.9° |
| N31 | C32 | C34 | H62 | 119.4° | 120.0° |
| N31 | C32 | C34 | N35 | 135.2° | 89.9° |
| N31 | C32 | C34 | S38 | 45.4° | 90.3° |
| C32 | N31 | C30 | H60 | 51.4° | 46.6° |
| C32 | N31 | C30 | H61 | 170.4° | 73.4° |
| N31 | C32 | H63 | H62 | 121.7° | 120.1° |
| C32 | N31 | C33 | H66 | 59.4° | 173.4° |
| C32 | N31 | C33 | H64 | 60.6° | 53.5° |
| C32 | N31 | C33 | H65 | 179.5° | 66.6° |
| C33 | N31 | C32 | C34 | 73.1° | 66.1° |
| C33 | N31 | C30 | H60 | 71.5° | 170.5° |
| C33 | N31 | C30 | H61 | 47.6° | 50.5° |
| C33 | N31 | C32 | H63 | 167.4° | 174.0° |
| C33 | N31 | C32 | H62 | 46.3° | 53.9° |
| N31 | C33 | H66 | H64 | 120.0° | 120.0° |
| N31 | C33 | H66 | H65 | 120.0° | 120.0° |
| N31 | C33 | H64 | H65 | 120.0° | 120.1° |
| C32 | C34 | N35 | S38 | 179.4° | 179.7° |
| C32 | C34 | N35 | C36 | 179.0° | 179.9° |
| C32 | C34 | S38 | C37 | 179.9° | 180.0° |
| C34 | C32 | H63 | H62 | 121.7° | 120.0° |
| C34 | N35 | C36 | C37 | 1.3° | 0.1° |
| C34 | N35 | C36 | C39 | 179.3° | 180.0° |
| N35 | C34 | S38 | C37 | 0.4° | 0.3° |
| N35 | C34 | C32 | H63 | 105.4° | 30.0° |
| N35 | C34 | C32 | H62 | 15.8° | 150.0° |
| S38 | C34 | N35 | C36 | 0.4° | 0.2° |
| C34 | S38 | C37 | C36 | 1.1° | 0.3° |
| S38 | C34 | C32 | H63 | 74.0° | 149.7° |
| S38 | C34 | C32 | H62 | 164.9° | 29.7° |
| C34 | S38 | C37 | H67 | 178.9° | 179.9° |
| N35 | C36 | C37 | C39 | 177.8° | 179.9° |
| N35 | C36 | C37 | S38 | 1.6° | 0.3° |
| N35 | C36 | C37 | H67 | 178.4° | 180.0° |
| N35 | C36 | C39 | H70 | 0.0° | 90.1° |
| N35 | C36 | C39 | H68 | 120.0° | 150.0° |
| N35 | C36 | C39 | H69 | 120.0° | 29.9° |
| C36 | C37 | S38 | H67 | 180.0° | 179.8° |
| C37 | C36 | C39 | H70 | 177.8° | 90.0° |
| C37 | C36 | C39 | H68 | 57.8° | 29.9° |
| C37 | C36 | C39 | H69 | 62.2° | 150.0° |
| C39 | C36 | C37 | S38 | 179.4° | 179.8° |
| C39 | C36 | C37 | H67 | 0.6° | 0.0° |
| C36 | C39 | H70 | H68 | 120.0° | 120.0° |
| C36 | C39 | H70 | H69 | 120.0° | 120.0° |
| C36 | C39 | H68 | H69 | 120.0° | 120.0° |
| H50 | C16 | H48 | H49 | 119.9° | 120.0° |
| H50 | C16 | N14 | H47 | 0.0° | 0.1° |
| H48 | C16 | N14 | H47 | 120.0° | 120.0° |
| H49 | C16 | N14 | H47 | 120.0° | 119.9° |
| H54 | C24 | C25 | H55 | 3.6° | 0.0° |
| H55 | C25 | C26 | H56 | 3.4° | 0.1° |
| H40 | C1 | C2 | H41 | 0.9° | 0.2° |
| H40 | C1 | C6 | H43 | 1.5° | 0.3° |
| H44 | C7 | C12 | H45 | 58.5° | 173.0° |
| H44 | C7 | C12 | H46 | 178.3° | 67.0° |
| H44 | C7 | N17 | H51 | 138.9° | 145.1° |
| H59 | C29 | H57 | H58 | 120.0° | 119.9° |
| H66 | C33 | H64 | H65 | 120.0° | 119.9° |
| H70 | C39 | H68 | H69 | 120.0° | 120.0° |
