Y1B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C2 | sing | 1.35Å | 1.27Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | S11 | sing | 1.76Å | 1.77Å | |
| C4 | C5 | doub | 1.38Å | 1.42Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.37Å | Aromatic |
| C6 | C7 | doub | 1.40Å | 1.35Å | Aromatic |
| C6 | C8 | sing | 1.47Å | 1.47Å | |
| C8 | O9 | doub | 1.21Å | 1.20Å | |
| C8 | O10 | sing | 1.35Å | 1.34Å | |
| S11 | C12 | sing | 1.81Å | 1.86Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | C38 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C14 | N15 | sing | 1.47Å | 1.46Å | |
| N15 | C16 | sing | 1.35Å | 1.37Å | |
| N15 | C37 | sing | 1.47Å | 1.46Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C16 | O36 | doub | 1.21Å | 1.18Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C19 | C20 | doub | 1.38Å | 1.36Å | Aromatic |
| C19 | C28 | sing | 1.38Å | 1.36Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.37Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.35Å | Aromatic |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| C22 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | F24 | sing | 1.40Å | 1.31Å | |
| C23 | F25 | sing | 1.40Å | 1.32Å | |
| C23 | F26 | sing | 1.40Å | 1.29Å | |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.51Å | 1.48Å | |
| C29 | N30 | sing | 1.46Å | 1.46Å | |
| N30 | N31 | sing | 1.29Å | 1.34Å | Aromatic |
| N30 | N35 | sing | 1.29Å | 1.36Å | Aromatic |
| N31 | N32 | doub | 1.29Å | 1.28Å | Aromatic |
| N32 | C33 | sing | 1.33Å | 1.41Å | Aromatic |
| C33 | C34 | sing | 1.51Å | 1.47Å | |
| C33 | N35 | doub | 1.31Å | 1.33Å | Aromatic |
| C37 | C38 | sing | 1.53Å | 1.55Å | |
| C13 | H44 | sing | 1.09Å | 1.10Å | |
| C13 | H45 | sing | 1.09Å | 1.10Å | |
| C17 | H49 | sing | 1.09Å | 1.10Å | |
| C17 | H48 | sing | 1.09Å | 1.10Å | |
| C18 | H50 | sing | 1.09Å | 1.10Å | |
| C18 | H51 | sing | 1.09Å | 1.10Å | |
| C20 | H52 | sing | 1.08Å | 1.08Å | |
| C21 | H53 | sing | 1.08Å | 1.08Å | |
| C27 | H54 | sing | 1.08Å | 1.08Å | |
| C4 | H39 | sing | 1.08Å | 1.08Å | |
| C5 | H40 | sing | 1.08Å | 1.08Å | |
| C7 | H41 | sing | 1.08Å | 1.08Å | |
| O10 | H42 | sing | 0.97Å | 0.95Å | |
| C12 | H43 | sing | 1.09Å | 1.10Å | |
| C14 | H46 | sing | 1.09Å | 1.10Å | |
| C14 | H47 | sing | 1.09Å | 1.10Å | |
| C29 | H56 | sing | 1.09Å | 1.10Å | |
| C29 | H55 | sing | 1.09Å | 1.10Å | |
| C34 | H57 | sing | 1.09Å | 1.10Å | |
| C34 | H59 | sing | 1.09Å | 1.10Å | |
| C34 | H58 | sing | 1.09Å | 1.10Å | |
| C37 | H60 | sing | 1.09Å | 1.10Å | |
| C37 | H61 | sing | 1.09Å | 1.10Å | |
| C38 | H63 | sing | 1.09Å | 1.10Å | |
| C38 | H62 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C2 | C3 | 121.4° | 120.0° |
| F1 | C2 | C7 | 112.6° | 120.0° |
| C3 | C2 | C7 | 126.1° | 120.0° |
| C2 | C3 | C4 | 113.1° | 120.1° |
| C2 | C3 | S11 | 122.7° | 120.0° |
| C2 | C7 | C6 | 119.1° | 119.9° |
| C2 | C7 | H41 | 120.5° | 120.1° |
| C4 | C3 | S11 | 124.2° | 119.9° |
| C3 | C4 | C5 | 122.0° | 120.1° |
| C3 | C4 | H39 | 119.0° | 119.9° |
| C3 | S11 | C12 | 116.2° | 103.0° |
| C4 | C5 | C6 | 120.2° | 119.9° |
| C5 | C4 | H39 | 119.0° | 120.0° |
| C4 | C5 | H40 | 119.9° | 120.0° |
| C5 | C6 | C7 | 119.5° | 119.9° |
| C5 | C6 | C8 | 121.4° | 120.1° |
| C6 | C5 | H40 | 119.9° | 120.0° |
| C7 | C6 | C8 | 119.1° | 120.1° |
| C6 | C7 | H41 | 120.4° | 120.0° |
| C6 | C8 | O9 | 128.1° | 120.0° |
| C6 | C8 | O10 | 112.8° | 120.0° |
| O9 | C8 | O10 | 119.0° | 120.0° |
| C8 | O10 | H42 | 109.5° | 117.0° |
| S11 | C12 | C13 | 106.7° | 109.5° |
| S11 | C12 | C38 | 116.0° | 109.5° |
| S11 | C12 | H43 | 106.0° | 109.4° |
| C13 | C12 | C38 | 108.9° | 109.5° |
| C12 | C13 | C14 | 111.7° | 109.4° |
| C12 | C13 | H44 | 108.9° | 109.5° |
| C12 | C13 | H45 | 108.9° | 109.5° |
| C13 | C12 | H43 | 109.6° | 109.4° |
| C12 | C38 | C37 | 111.5° | 109.3° |
| C38 | C12 | H43 | 109.5° | 109.5° |
| C12 | C38 | H63 | 109.0° | 109.5° |
| C12 | C38 | H62 | 109.0° | 109.5° |
| C13 | C14 | N15 | 108.5° | 108.8° |
| C14 | C13 | H44 | 108.9° | 109.5° |
| C14 | C13 | H45 | 108.9° | 109.5° |
| C13 | C14 | H46 | 109.7° | 109.6° |
| C13 | C14 | H47 | 109.7° | 109.6° |
| C14 | N15 | C16 | 120.1° | 120.6° |
| C14 | N15 | C37 | 116.5° | 118.8° |
| N15 | C14 | H46 | 109.7° | 109.6° |
| N15 | C14 | H47 | 109.7° | 109.6° |
| C16 | N15 | C37 | 123.4° | 120.6° |
| N15 | C16 | C17 | 119.0° | 120.0° |
| N15 | C16 | O36 | 117.8° | 120.0° |
| N15 | C37 | C38 | 109.6° | 108.8° |
| N15 | C37 | H60 | 109.4° | 109.6° |
| N15 | C37 | H61 | 109.4° | 109.6° |
| C17 | C16 | O36 | 123.2° | 120.0° |
| C16 | C17 | C18 | 109.2° | 109.5° |
| C16 | C17 | H49 | 109.5° | 109.5° |
| C16 | C17 | H48 | 109.5° | 109.5° |
| C17 | C18 | C19 | 110.4° | 109.4° |
| C18 | C17 | H49 | 109.5° | 109.5° |
| C18 | C17 | H48 | 109.5° | 109.5° |
| C17 | C18 | H50 | 109.3° | 109.5° |
| C17 | C18 | H51 | 109.2° | 109.5° |
| C18 | C19 | C20 | 117.4° | 120.0° |
| C18 | C19 | C28 | 123.6° | 120.0° |
| C19 | C18 | H50 | 109.2° | 109.5° |
| C19 | C18 | H51 | 109.2° | 109.5° |
| C20 | C19 | C28 | 118.9° | 120.0° |
| C19 | C20 | C21 | 121.6° | 120.0° |
| C19 | C20 | H52 | 119.2° | 120.0° |
| C19 | C28 | C27 | 120.7° | 119.9° |
| C19 | C28 | C29 | 121.3° | 120.0° |
| C20 | C21 | C22 | 119.3° | 120.0° |
| C21 | C20 | H52 | 119.2° | 120.0° |
| C20 | C21 | H53 | 120.3° | 120.0° |
| C21 | C22 | C23 | 121.2° | 120.0° |
| C21 | C22 | C27 | 120.5° | 120.0° |
| C22 | C21 | H53 | 120.3° | 120.0° |
| C23 | C22 | C27 | 118.3° | 120.0° |
| C22 | C23 | F24 | 113.1° | 109.5° |
| C22 | C23 | F25 | 114.1° | 109.5° |
| C22 | C23 | F26 | 115.2° | 109.5° |
| C22 | C27 | C28 | 118.9° | 120.0° |
| C22 | C27 | H54 | 120.6° | 120.0° |
| F24 | C23 | F25 | 104.9° | 109.5° |
| F24 | C23 | F26 | 102.7° | 109.5° |
| F25 | C23 | F26 | 105.6° | 109.4° |
| C27 | C28 | C29 | 117.8° | 120.0° |
| C28 | C27 | H54 | 120.6° | 120.0° |
| C28 | C29 | N30 | 114.7° | 109.5° |
| C28 | C29 | H56 | 108.1° | 109.5° |
| C28 | C29 | H55 | 108.2° | 109.4° |
| C29 | N30 | N31 | 127.0° | 125.5° |
| C29 | N30 | N35 | 121.4° | 125.4° |
| N30 | C29 | H56 | 108.2° | 109.4° |
| N30 | C29 | H55 | 108.2° | 109.5° |
| N31 | N30 | N35 | 111.6° | 109.1° |
| N30 | N31 | N32 | 107.2° | 108.7° |
| N30 | N35 | C33 | 104.5° | 107.9° |
| N31 | N32 | C33 | 108.5° | 107.4° |
| N32 | C33 | C34 | 126.3° | 126.6° |
| N32 | C33 | N35 | 108.2° | 106.9° |
| C34 | C33 | N35 | 125.5° | 126.5° |
| C33 | C34 | H57 | 109.5° | 109.5° |
| C33 | C34 | H59 | 109.4° | 109.5° |
| C33 | C34 | H58 | 109.5° | 109.5° |
| C38 | C37 | H60 | 109.4° | 109.6° |
| C38 | C37 | H61 | 109.4° | 109.5° |
| C37 | C38 | H63 | 109.0° | 109.5° |
| C37 | C38 | H62 | 109.0° | 109.5° |
| H44 | C13 | H45 | 109.5° | 109.5° |
| H49 | C17 | H48 | 109.5° | 109.4° |
| H50 | C18 | H51 | 109.5° | 109.4° |
| H46 | C14 | H47 | 109.5° | 109.7° |
| H56 | C29 | H55 | 109.4° | 109.5° |
| H57 | C34 | H59 | 109.4° | 109.5° |
| H57 | C34 | H58 | 109.5° | 109.4° |
| H59 | C34 | H58 | 109.5° | 109.5° |
| H60 | C37 | H61 | 109.5° | 109.7° |
| H63 | C38 | H62 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C2 | C3 | C7 | 179.8° | 179.7° |
| F1 | C2 | C3 | C4 | 178.4° | 180.0° |
| F1 | C2 | C3 | S11 | 1.3° | 0.0° |
| F1 | C2 | C7 | C6 | 177.9° | 179.7° |
| F1 | C2 | C7 | H41 | 2.1° | 0.0° |
| C2 | C3 | C4 | S11 | 179.7° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.1° |
| C3 | C2 | C7 | C6 | 1.9° | 0.7° |
| C2 | C3 | S11 | C12 | 82.3° | 174.0° |
| C2 | C3 | C4 | H39 | 179.7° | 180.0° |
| C3 | C2 | C7 | H41 | 178.1° | 179.7° |
| C7 | C2 | C3 | C4 | 1.4° | 0.3° |
| C7 | C2 | C3 | S11 | 178.9° | 179.7° |
| C2 | C7 | C6 | C5 | 1.2° | 0.7° |
| C2 | C7 | C6 | H41 | 180.0° | 179.6° |
| C2 | C7 | C6 | C8 | 179.8° | 179.7° |
| C3 | C4 | C5 | H39 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.1° |
| C4 | C3 | S11 | C12 | 97.3° | 6.0° |
| C3 | C4 | C5 | H40 | 179.8° | 179.9° |
| S11 | C3 | C4 | C5 | 180.0° | 180.0° |
| C3 | S11 | C12 | C13 | 71.5° | 169.5° |
| C3 | S11 | C12 | C38 | 50.0° | 70.4° |
| S11 | C3 | C4 | H39 | 0.0° | 0.1° |
| C3 | S11 | C12 | H43 | 171.8° | 49.6° |
| C4 | C5 | C6 | H40 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.3° | 0.3° |
| C4 | C5 | C6 | C8 | 179.2° | 179.9° |
| C5 | C6 | C7 | C8 | 179.0° | 179.6° |
| C5 | C6 | C8 | O9 | 35.9° | 0.1° |
| C5 | C6 | C8 | O10 | 143.6° | 180.0° |
| C6 | C5 | C4 | H39 | 179.8° | 180.0° |
| C5 | C6 | C7 | H41 | 178.7° | 179.7° |
| C7 | C6 | C8 | O9 | 145.2° | 179.7° |
| C7 | C6 | C8 | O10 | 35.4° | 0.4° |
| C7 | C6 | C5 | H40 | 179.7° | 179.7° |
| C6 | C8 | O9 | O10 | 179.4° | 179.9° |
| C8 | C6 | C5 | H40 | 0.8° | 0.1° |
| C8 | C6 | C7 | H41 | 0.2° | 0.1° |
| C6 | C8 | O10 | H42 | 179.5° | 179.9° |
| O9 | C8 | O10 | H42 | 0.0° | 0.0° |
| S11 | C12 | C13 | C38 | 125.9° | 120.0° |
| S11 | C12 | C13 | H43 | 114.3° | 119.9° |
| S11 | C12 | C38 | H43 | 119.9° | 119.9° |
| S11 | C12 | C13 | C14 | 176.5° | 178.6° |
| S11 | C12 | C38 | C37 | 174.2° | 178.6° |
| S11 | C12 | C13 | H44 | 56.2° | 58.6° |
| S11 | C12 | C13 | H45 | 63.2° | 61.4° |
| S11 | C12 | C38 | H63 | 53.9° | 61.4° |
| S11 | C12 | C38 | H62 | 65.5° | 58.7° |
| C13 | C12 | C38 | H43 | 119.8° | 120.0° |
| C12 | C13 | C14 | H44 | 120.3° | 120.0° |
| C12 | C13 | C14 | H45 | 120.3° | 120.0° |
| C12 | C13 | C14 | N15 | 57.7° | 54.6° |
| C13 | C12 | C38 | C37 | 53.8° | 61.4° |
| C12 | C13 | H44 | H45 | 119.0° | 120.0° |
| C12 | C13 | C14 | H46 | 62.1° | 65.1° |
| C12 | C13 | C14 | H47 | 177.6° | 174.4° |
| C13 | C12 | C38 | H63 | 66.5° | 58.6° |
| C13 | C12 | C38 | H62 | 174.2° | 178.7° |
| C38 | C12 | C13 | C14 | 57.6° | 61.4° |
| C12 | C38 | C37 | N15 | 51.8° | 54.6° |
| C12 | C38 | C37 | H63 | 120.3° | 120.0° |
| C12 | C38 | C37 | H62 | 120.3° | 120.0° |
| C38 | C12 | C13 | H44 | 177.9° | 178.7° |
| C38 | C12 | C13 | H45 | 62.8° | 58.6° |
| C12 | C38 | C37 | H60 | 68.3° | 65.1° |
| C12 | C38 | C37 | H61 | 171.8° | 174.4° |
| C12 | C38 | H63 | H62 | 119.1° | 120.1° |
| C13 | C14 | N15 | H46 | 119.9° | 119.8° |
| C13 | C14 | N15 | H47 | 119.8° | 119.8° |
| C13 | C14 | N15 | C16 | 120.6° | 126.4° |
| C13 | C14 | N15 | C37 | 58.0° | 53.6° |
| C14 | C13 | H44 | H45 | 119.0° | 120.1° |
| C14 | C13 | C12 | H43 | 62.2° | 58.7° |
| C13 | C14 | H46 | H47 | 120.4° | 120.4° |
| C14 | N15 | C16 | C37 | 178.4° | 180.0° |
| C14 | N15 | C16 | C17 | 179.9° | 180.0° |
| C14 | N15 | C16 | O36 | 0.4° | 0.1° |
| C14 | N15 | C37 | C38 | 55.1° | 53.6° |
| N15 | C14 | C13 | H44 | 178.1° | 174.6° |
| N15 | C14 | C13 | H45 | 62.6° | 65.4° |
| N15 | C14 | H46 | H47 | 120.5° | 120.4° |
| C14 | N15 | C37 | H60 | 64.9° | 66.2° |
| C14 | N15 | C37 | H61 | 175.2° | 173.4° |
| N15 | C16 | C17 | O36 | 179.5° | 179.9° |
| N15 | C16 | C17 | C18 | 162.2° | 180.0° |
| C16 | N15 | C37 | C38 | 123.4° | 126.4° |
| N15 | C16 | C17 | H49 | 42.3° | 60.0° |
| N15 | C16 | C17 | H48 | 77.8° | 60.0° |
| C16 | N15 | C14 | H46 | 119.6° | 113.8° |
| C16 | N15 | C14 | H47 | 0.7° | 6.6° |
| C16 | N15 | C37 | H60 | 116.6° | 113.8° |
| C16 | N15 | C37 | H61 | 3.3° | 6.6° |
| C37 | N15 | C16 | C17 | 1.7° | 0.0° |
| C37 | N15 | C16 | O36 | 178.8° | 179.9° |
| N15 | C37 | C38 | H60 | 120.0° | 119.8° |
| N15 | C37 | C38 | H61 | 120.0° | 119.8° |
| C37 | N15 | C14 | H46 | 61.9° | 66.2° |
| C37 | N15 | C14 | H47 | 177.8° | 173.4° |
| N15 | C37 | H60 | H61 | 119.9° | 120.4° |
| N15 | C37 | C38 | H63 | 68.5° | 65.3° |
| N15 | C37 | C38 | H62 | 172.1° | 174.6° |
| C16 | C17 | C18 | H49 | 120.0° | 120.0° |
| C16 | C17 | C18 | H48 | 119.9° | 120.0° |
| C16 | C17 | C18 | C19 | 173.3° | 180.0° |
| C16 | C17 | H49 | H48 | 120.1° | 120.0° |
| C16 | C17 | C18 | H50 | 53.1° | 60.0° |
| C16 | C17 | C18 | H51 | 66.6° | 60.0° |
| O36 | C16 | C17 | C18 | 18.3° | 0.0° |
| O36 | C16 | C17 | H49 | 138.3° | 120.1° |
| O36 | C16 | C17 | H48 | 101.6° | 120.0° |
| C17 | C18 | C19 | H50 | 120.1° | 120.0° |
| C17 | C18 | C19 | H51 | 120.1° | 120.0° |
| C17 | C18 | C19 | C20 | 96.5° | 95.0° |
| C17 | C18 | C19 | C28 | 80.4° | 84.8° |
| C18 | C17 | H49 | H48 | 120.1° | 120.0° |
| C17 | C18 | H50 | H51 | 119.6° | 120.0° |
| C18 | C19 | C20 | C28 | 177.1° | 179.8° |
| C18 | C19 | C20 | C21 | 180.0° | 180.0° |
| C18 | C19 | C28 | C27 | 179.2° | 179.8° |
| C18 | C19 | C28 | C29 | 3.4° | 0.0° |
| C19 | C18 | C17 | H49 | 66.8° | 60.0° |
| C19 | C18 | C17 | H48 | 53.3° | 60.0° |
| C19 | C18 | H50 | H51 | 119.6° | 120.0° |
| C18 | C19 | C20 | H52 | 0.0° | 0.0° |
| C19 | C20 | C21 | H52 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 1.6° | 0.0° |
| C20 | C19 | C28 | C27 | 4.0° | 0.4° |
| C20 | C19 | C28 | C29 | 179.7° | 179.7° |
| C20 | C19 | C18 | H50 | 23.6° | 145.0° |
| C20 | C19 | C18 | H51 | 143.4° | 25.0° |
| C19 | C20 | C21 | H53 | 178.4° | 179.9° |
| C28 | C19 | C20 | C21 | 3.0° | 0.2° |
| C19 | C28 | C27 | C22 | 3.6° | 0.4° |
| C19 | C28 | C27 | C29 | 175.9° | 179.8° |
| C19 | C28 | C29 | N30 | 114.8° | 85.0° |
| C28 | C19 | C18 | H50 | 159.4° | 35.3° |
| C28 | C19 | C18 | H51 | 39.7° | 155.2° |
| C28 | C19 | C20 | H52 | 177.0° | 179.7° |
| C19 | C28 | C27 | H54 | 176.5° | 179.7° |
| C19 | C28 | C29 | H56 | 124.4° | 155.0° |
| C19 | C28 | C29 | H55 | 6.0° | 35.0° |
| C20 | C21 | C22 | H53 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 178.7° | 180.0° |
| C20 | C21 | C22 | C27 | 1.1° | 0.0° |
| C21 | C22 | C23 | C27 | 177.6° | 180.0° |
| C21 | C22 | C23 | F24 | 67.6° | 0.0° |
| C21 | C22 | C23 | F25 | 172.6° | 120.0° |
| C21 | C22 | C23 | F26 | 50.2° | 120.0° |
| C21 | C22 | C27 | C28 | 2.1° | 0.1° |
| C22 | C21 | C20 | H52 | 178.4° | 180.0° |
| C21 | C22 | C27 | H54 | 177.9° | 180.0° |
| C22 | C23 | F24 | F25 | 124.9° | 120.0° |
| C22 | C23 | F24 | F26 | 124.9° | 120.1° |
| C22 | C23 | F25 | F26 | 127.5° | 120.0° |
| C23 | C22 | C27 | C28 | 179.8° | 179.9° |
| C23 | C22 | C21 | H53 | 1.3° | 0.0° |
| C23 | C22 | C27 | H54 | 0.3° | 0.0° |
| C27 | C22 | C23 | F24 | 110.0° | 180.0° |
| C27 | C22 | C23 | F25 | 9.8° | 60.0° |
| C27 | C22 | C23 | F26 | 132.2° | 60.0° |
| C22 | C27 | C28 | H54 | 180.0° | 179.9° |
| C22 | C27 | C28 | C29 | 179.4° | 179.8° |
| C27 | C22 | C21 | H53 | 178.9° | 180.0° |
| F24 | C23 | F25 | F26 | 108.1° | 120.0° |
| C27 | C28 | C29 | N30 | 69.3° | 94.8° |
| C27 | C28 | C29 | H56 | 51.5° | 25.2° |
| C27 | C28 | C29 | H55 | 169.9° | 145.2° |
| C28 | C29 | N30 | H56 | 120.8° | 120.0° |
| C28 | C29 | N30 | H55 | 120.8° | 120.0° |
| C28 | C29 | N30 | N31 | 100.5° | 90.1° |
| C28 | C29 | N30 | N35 | 82.9° | 90.3° |
| C29 | C28 | C27 | H54 | 0.6° | 0.1° |
| C28 | C29 | H56 | H55 | 117.6° | 120.0° |
| C29 | N30 | N31 | N35 | 176.9° | 179.7° |
| C29 | N30 | N31 | N32 | 177.1° | 179.9° |
| C29 | N30 | N35 | C33 | 177.0° | 179.9° |
| N30 | C29 | H56 | H55 | 117.6° | 120.1° |
| N30 | N31 | N32 | C33 | 0.4° | 0.0° |
| N31 | N30 | N35 | C33 | 0.1° | 0.4° |
| N31 | N30 | C29 | H56 | 20.2° | 29.9° |
| N31 | N30 | C29 | H55 | 138.7° | 150.0° |
| N35 | N30 | N31 | N32 | 0.2° | 0.2° |
| N30 | N35 | C33 | N32 | 0.4° | 0.4° |
| N30 | N35 | C33 | C34 | 179.8° | 179.8° |
| N35 | N30 | C29 | H56 | 156.4° | 149.7° |
| N35 | N30 | C29 | H55 | 37.9° | 29.7° |
| N31 | N32 | C33 | C34 | 180.0° | 180.0° |
| N31 | N32 | C33 | N35 | 0.5° | 0.2° |
| N32 | C33 | C34 | N35 | 179.4° | 179.8° |
| N32 | C33 | C34 | H57 | 0.0° | 89.9° |
| N32 | C33 | C34 | H59 | 120.0° | 150.1° |
| N32 | C33 | C34 | H58 | 120.0° | 30.0° |
| C33 | C34 | H57 | H59 | 120.0° | 120.0° |
| C33 | C34 | H57 | H58 | 120.0° | 120.0° |
| C33 | C34 | H59 | H58 | 120.0° | 120.0° |
| N35 | C33 | C34 | H57 | 179.4° | 89.8° |
| N35 | C33 | C34 | H59 | 60.6° | 30.2° |
| N35 | C33 | C34 | H58 | 59.3° | 150.2° |
| C37 | C38 | C12 | H43 | 66.0° | 58.7° |
| C38 | C37 | H60 | H61 | 119.9° | 120.3° |
| C37 | C38 | H63 | H62 | 119.1° | 120.0° |
| H44 | C13 | C12 | H43 | 58.1° | 61.3° |
| H44 | C13 | C14 | H46 | 58.2° | 54.9° |
| H44 | C13 | C14 | H47 | 62.0° | 65.6° |
| H45 | C13 | C12 | H43 | 177.5° | 178.7° |
| H45 | C13 | C14 | H46 | 177.6° | 174.9° |
| H45 | C13 | C14 | H47 | 57.3° | 54.4° |
| H49 | C17 | C18 | H50 | 173.1° | NaN° |
| H49 | C17 | C18 | H51 | 53.3° | 60.0° |
| H48 | C17 | C18 | H50 | 66.8° | 60.0° |
| H48 | C17 | C18 | H51 | 173.4° | 180.0° |
| H52 | C20 | C21 | H53 | 1.6° | 0.1° |
| H39 | C4 | C5 | H40 | 0.2° | 0.0° |
| H43 | C12 | C38 | H63 | 173.7° | 178.6° |
| H43 | C12 | C38 | H62 | 54.3° | 61.3° |
| H57 | C34 | H59 | H58 | 120.0° | 120.0° |
| H60 | C37 | C38 | H63 | 171.4° | 174.9° |
| H60 | C37 | C38 | H62 | 52.0° | 54.8° |
| H61 | C37 | C38 | H63 | 51.5° | 54.5° |
| H61 | C37 | C38 | H62 | 67.9° | 65.6° |
