Y4W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | doub | 1.33Å | 1.43Å | Aromatic |
| C1 | C5 | sing | 1.39Å | 1.52Å | Aromatic |
| N2 | C3 | sing | 1.33Å | 1.40Å | Aromatic |
| C3 | N4 | doub | 1.32Å | 1.31Å | Aromatic |
| C3 | N12 | sing | 1.39Å | 1.41Å | |
| N4 | C6 | sing | 1.33Å | 1.30Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.45Å | Aromatic |
| C5 | N9 | sing | 1.39Å | 1.43Å | |
| C6 | N7 | sing | 1.38Å | 1.41Å | |
| N7 | C8 | sing | 1.35Å | 1.32Å | |
| N7 | C11 | sing | 1.47Å | 1.45Å | |
| C8 | N9 | sing | 1.35Å | 1.33Å | |
| C8 | O10 | doub | 1.22Å | 1.34Å | |
| N9 | C13 | sing | 1.47Å | 1.44Å | |
| N12 | C20 | sing | 1.39Å | 1.43Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | doub | 1.38Å | 1.50Å | Aromatic |
| C14 | C19 | sing | 1.38Å | 1.34Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.47Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.36Å | Aromatic |
| C17 | F35 | sing | 1.35Å | 1.35Å | |
| C18 | C19 | doub | 1.38Å | 1.49Å | Aromatic |
| C18 | F34 | sing | 1.35Å | 1.37Å | |
| C20 | C21 | doub | 1.39Å | 1.33Å | Aromatic |
| C20 | C25 | sing | 1.39Å | 1.50Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.52Å | Aromatic |
| C22 | C23 | doub | 1.40Å | 1.35Å | Aromatic |
| C23 | C24 | sing | 1.40Å | 1.50Å | Aromatic |
| C23 | C26 | sing | 1.48Å | 1.52Å | |
| C24 | C25 | doub | 1.38Å | 1.37Å | Aromatic |
| C26 | O27 | doub | 1.22Å | 1.24Å | |
| C26 | N28 | sing | 1.35Å | 1.39Å | |
| N28 | C29 | sing | 1.47Å | 1.42Å | |
| N28 | C33 | sing | 1.47Å | 1.43Å | |
| C29 | C30 | sing | 1.53Å | 1.56Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | C32 | sing | 1.53Å | 1.55Å | |
| C31 | S36 | sing | 1.81Å | 1.81Å | |
| C32 | C33 | sing | 1.54Å | 1.56Å | |
| S36 | N37 | sing | 1.66Å | 1.67Å | |
| S36 | O38 | doub | 1.42Å | 1.50Å | |
| S36 | O39 | doub | 1.42Å | 1.44Å | |
| C11 | H43 | sing | 1.09Å | 1.10Å | |
| C11 | H41 | sing | 1.09Å | 1.10Å | |
| C11 | H42 | sing | 1.09Å | 1.10Å | |
| C13 | H45 | sing | 1.09Å | 1.10Å | |
| C13 | H46 | sing | 1.09Å | 1.10Å | |
| C15 | H47 | sing | 1.08Å | 1.08Å | |
| C16 | H48 | sing | 1.08Å | 1.08Å | |
| C19 | H49 | sing | 1.08Å | 1.08Å | |
| C21 | H50 | sing | 1.08Å | 1.08Å | |
| C22 | H51 | sing | 1.08Å | 1.08Å | |
| C24 | H52 | sing | 1.08Å | 1.08Å | |
| C25 | H53 | sing | 1.08Å | 1.08Å | |
| C1 | H40 | sing | 1.08Å | 1.08Å | |
| N12 | H44 | sing | 0.97Å | 1.00Å | |
| C29 | H55 | sing | 1.09Å | 1.10Å | |
| C29 | H54 | sing | 1.09Å | 1.10Å | |
| C30 | H56 | sing | 1.09Å | 1.10Å | |
| C30 | H57 | sing | 1.09Å | 1.10Å | |
| C31 | H58 | sing | 1.09Å | 1.10Å | |
| C32 | H60 | sing | 1.09Å | 1.10Å | |
| C32 | H59 | sing | 1.09Å | 1.10Å | |
| C33 | H62 | sing | 1.09Å | 1.10Å | |
| C33 | H61 | sing | 1.09Å | 1.10Å | |
| N37 | H64 | sing | 0.97Å | 1.00Å | |
| N37 | H63 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | C5 | 110.5° | 118.8° |
| C1 | N2 | C3 | 118.7° | 121.0° |
| N2 | C1 | H40 | 124.8° | 120.6° |
| C1 | C5 | C6 | 122.3° | 118.7° |
| C1 | C5 | N9 | 133.5° | 134.5° |
| C5 | C1 | H40 | 124.8° | 120.6° |
| N2 | C3 | N4 | 130.9° | 122.0° |
| N2 | C3 | N12 | 108.5° | 119.0° |
| N4 | C3 | N12 | 120.5° | 119.0° |
| C3 | N4 | C6 | 115.5° | 120.4° |
| C3 | N12 | C20 | 127.1° | 120.0° |
| C3 | N12 | H44 | 116.5° | 120.0° |
| N4 | C6 | C5 | 122.1° | 119.0° |
| N4 | C6 | N7 | 135.6° | 134.2° |
| C6 | C5 | N9 | 104.3° | 106.8° |
| C5 | C6 | N7 | 102.2° | 106.8° |
| C5 | N9 | C8 | 113.1° | 108.1° |
| C5 | N9 | C13 | 122.3° | 126.0° |
| C6 | N7 | C8 | 115.5° | 108.6° |
| C6 | N7 | C11 | 118.9° | 125.7° |
| C8 | N7 | C11 | 125.6° | 125.7° |
| N7 | C8 | N9 | 104.9° | 109.7° |
| N7 | C8 | O10 | 128.0° | 125.1° |
| N7 | C11 | H43 | 109.5° | 109.4° |
| N7 | C11 | H41 | 109.5° | 109.4° |
| N7 | C11 | H42 | 109.5° | 109.5° |
| N9 | C8 | O10 | 127.1° | 125.2° |
| C8 | N9 | C13 | 124.7° | 125.9° |
| N9 | C13 | C14 | 109.6° | 109.5° |
| N9 | C13 | H45 | 109.5° | 109.5° |
| N9 | C13 | H46 | 109.4° | 109.4° |
| N12 | C20 | C21 | 120.3° | 119.9° |
| N12 | C20 | C25 | 115.7° | 119.9° |
| C20 | N12 | H44 | 116.5° | 120.0° |
| C13 | C14 | C15 | 115.5° | 120.0° |
| C13 | C14 | C19 | 122.6° | 120.0° |
| C14 | C13 | H45 | 109.4° | 109.5° |
| C14 | C13 | H46 | 109.5° | 109.5° |
| C15 | C14 | C19 | 122.0° | 120.1° |
| C14 | C15 | C16 | 119.6° | 120.1° |
| C14 | C15 | H47 | 120.2° | 119.9° |
| C14 | C19 | C18 | 118.3° | 120.0° |
| C14 | C19 | H49 | 120.9° | 120.0° |
| C15 | C16 | C17 | 118.0° | 120.0° |
| C16 | C15 | H47 | 120.2° | 120.0° |
| C15 | C16 | H48 | 121.0° | 120.0° |
| C16 | C17 | C18 | 122.1° | 119.9° |
| C16 | C17 | F35 | 117.1° | 120.1° |
| C17 | C16 | H48 | 121.0° | 120.0° |
| C18 | C17 | F35 | 120.8° | 120.0° |
| C17 | C18 | C19 | 120.0° | 119.9° |
| C17 | C18 | F34 | 116.6° | 120.0° |
| C19 | C18 | F34 | 123.3° | 120.1° |
| C18 | C19 | H49 | 120.9° | 120.0° |
| C21 | C20 | C25 | 124.0° | 120.1° |
| C20 | C21 | C22 | 116.9° | 120.1° |
| C20 | C21 | H50 | 121.6° | 120.0° |
| C20 | C25 | C24 | 119.4° | 120.1° |
| C20 | C25 | H53 | 120.3° | 120.0° |
| C21 | C22 | C23 | 119.1° | 119.9° |
| C22 | C21 | H50 | 121.5° | 120.0° |
| C21 | C22 | H51 | 120.4° | 120.1° |
| C22 | C23 | C24 | 123.9° | 119.9° |
| C22 | C23 | C26 | 117.3° | 120.1° |
| C23 | C22 | H51 | 120.4° | 120.0° |
| C24 | C23 | C26 | 118.7° | 120.1° |
| C23 | C24 | C25 | 116.6° | 119.9° |
| C23 | C24 | H52 | 121.7° | 120.0° |
| C23 | C26 | O27 | 119.6° | 120.0° |
| C23 | C26 | N28 | 117.4° | 120.0° |
| C25 | C24 | H52 | 121.7° | 120.1° |
| C24 | C25 | H53 | 120.3° | 119.9° |
| O27 | C26 | N28 | 123.0° | 120.0° |
| C26 | N28 | C29 | 123.7° | 120.7° |
| C26 | N28 | C33 | 118.5° | 120.6° |
| C29 | N28 | C33 | 117.7° | 118.7° |
| N28 | C29 | C30 | 101.4° | 108.8° |
| N28 | C29 | H55 | 111.5° | 109.6° |
| N28 | C29 | H54 | 111.4° | 109.6° |
| N28 | C33 | C32 | 101.3° | 108.5° |
| N28 | C33 | H62 | 111.5° | 109.6° |
| N28 | C33 | H61 | 111.5° | 109.6° |
| C29 | C30 | C31 | 106.6° | 109.3° |
| C30 | C29 | H55 | 111.4° | 109.6° |
| C30 | C29 | H54 | 111.5° | 109.6° |
| C29 | C30 | H56 | 110.2° | 109.5° |
| C29 | C30 | H57 | 110.2° | 109.5° |
| C30 | C31 | C32 | 111.1° | 109.5° |
| C30 | C31 | S36 | 111.3° | 109.5° |
| C31 | C30 | H56 | 110.2° | 109.5° |
| C31 | C30 | H57 | 110.2° | 109.5° |
| C30 | C31 | H58 | 109.0° | 109.5° |
| C32 | C31 | S36 | 110.7° | 109.5° |
| C31 | C32 | C33 | 107.5° | 109.3° |
| C32 | C31 | H58 | 108.7° | 109.4° |
| C31 | C32 | H60 | 110.0° | 109.5° |
| C31 | C32 | H59 | 110.0° | 109.5° |
| C31 | S36 | N37 | 106.6° | 104.4° |
| C31 | S36 | O38 | 102.7° | 110.6° |
| C31 | S36 | O39 | 105.4° | 110.6° |
| S36 | C31 | H58 | 105.9° | 109.5° |
| C33 | C32 | H60 | 110.0° | 109.6° |
| C33 | C32 | H59 | 109.9° | 109.4° |
| C32 | C33 | H62 | 111.5° | 109.8° |
| C32 | C33 | H61 | 111.5° | 109.7° |
| N37 | S36 | O38 | 115.1° | 104.2° |
| N37 | S36 | O39 | 106.5° | 104.2° |
| S36 | N37 | H64 | 109.5° | 120.0° |
| S36 | N37 | H63 | 109.5° | 120.0° |
| O38 | S36 | O39 | 119.4° | 121.1° |
| H43 | C11 | H41 | 109.5° | 109.5° |
| H43 | C11 | H42 | 109.5° | 109.5° |
| H41 | C11 | H42 | 109.5° | 109.5° |
| H45 | C13 | H46 | 109.4° | 109.5° |
| H55 | C29 | H54 | 109.5° | 109.7° |
| H56 | C30 | H57 | 109.5° | 109.5° |
| H60 | C32 | H59 | 109.5° | 109.5° |
| H62 | C33 | H61 | 109.5° | 109.7° |
| H64 | N37 | H63 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | C5 | H40 | 180.0° | 179.7° |
| C1 | N2 | C3 | N4 | 2.4° | 0.0° |
| C1 | N2 | C3 | N12 | 179.3° | 180.0° |
| N2 | C1 | C5 | C6 | 0.7° | 0.0° |
| N2 | C1 | C5 | N9 | 178.4° | 180.0° |
| C5 | C1 | N2 | C3 | 1.8° | 0.0° |
| C1 | C5 | C6 | N4 | 0.3° | 0.0° |
| C1 | C5 | C6 | N9 | 178.3° | 180.0° |
| C1 | C5 | C6 | N7 | 178.1° | 180.0° |
| C1 | C5 | N9 | C8 | 179.3° | 180.0° |
| C1 | C5 | N9 | C13 | 0.4° | 0.0° |
| N2 | C3 | N4 | N12 | 178.2° | 179.9° |
| N2 | C3 | N4 | C6 | 1.2° | 0.1° |
| N2 | C3 | N12 | C20 | 162.4° | 5.5° |
| C3 | N2 | C1 | H40 | 178.2° | 179.7° |
| N2 | C3 | N12 | H44 | 17.6° | 174.5° |
| C3 | N4 | C6 | C5 | 0.1° | 0.1° |
| C3 | N4 | C6 | N7 | 177.1° | 180.0° |
| N4 | C3 | N12 | C20 | 16.2° | 174.6° |
| N4 | C3 | N12 | H44 | 163.8° | 5.4° |
| N12 | C3 | N4 | C6 | 179.5° | 180.0° |
| C3 | N12 | C20 | H44 | 180.0° | 180.0° |
| C3 | N12 | C20 | C21 | 12.7° | 34.0° |
| C3 | N12 | C20 | C25 | 167.2° | 145.7° |
| N4 | C6 | C5 | N7 | 177.8° | 180.0° |
| N4 | C6 | C5 | N9 | 178.0° | 180.0° |
| N4 | C6 | N7 | C8 | 179.0° | 180.0° |
| N4 | C6 | N7 | C11 | 2.3° | 0.1° |
| C5 | C6 | N7 | C8 | 1.7° | 0.0° |
| C5 | C6 | N7 | C11 | 179.7° | 180.0° |
| C6 | C5 | N9 | C8 | 1.3° | 0.0° |
| C6 | C5 | N9 | C13 | 177.6° | 180.0° |
| C6 | C5 | C1 | H40 | 179.3° | 179.7° |
| N9 | C5 | C6 | N7 | 0.2° | 0.0° |
| C5 | N9 | C8 | N7 | 2.3° | 0.0° |
| C5 | N9 | C8 | C13 | 178.9° | 180.0° |
| C5 | N9 | C8 | O10 | 178.2° | 180.0° |
| C5 | N9 | C13 | C14 | 83.0° | 90.0° |
| C5 | N9 | C13 | H45 | 37.0° | 150.0° |
| C5 | N9 | C13 | H46 | 156.9° | 30.1° |
| N9 | C5 | C1 | H40 | 1.6° | 0.3° |
| C6 | N7 | C8 | C11 | 178.6° | 180.0° |
| C6 | N7 | C8 | N9 | 2.5° | 0.0° |
| C6 | N7 | C8 | O10 | 178.0° | 180.0° |
| C6 | N7 | C11 | H43 | 180.0° | 90.1° |
| C6 | N7 | C11 | H41 | 60.0° | 150.0° |
| C6 | N7 | C11 | H42 | 60.0° | 30.0° |
| N7 | C8 | N9 | O10 | 179.5° | 180.0° |
| N7 | C8 | N9 | C13 | 176.6° | 180.0° |
| C8 | N7 | C11 | H43 | 1.5° | 90.0° |
| C8 | N7 | C11 | H41 | 121.5° | 30.0° |
| C8 | N7 | C11 | H42 | 118.6° | 150.0° |
| C11 | N7 | C8 | N9 | 178.9° | 180.0° |
| C11 | N7 | C8 | O10 | 0.5° | 0.0° |
| N7 | C11 | H43 | H41 | 120.0° | 119.9° |
| N7 | C11 | H43 | H42 | 120.0° | 120.0° |
| N7 | C11 | H41 | H42 | 120.0° | 120.0° |
| C8 | N9 | C13 | C14 | 98.2° | 90.0° |
| C8 | N9 | C13 | H45 | 141.8° | 30.0° |
| C8 | N9 | C13 | H46 | 21.9° | 150.0° |
| O10 | C8 | N9 | C13 | 2.9° | 0.0° |
| N9 | C13 | C14 | H45 | 120.0° | 120.0° |
| N9 | C13 | C14 | H46 | 120.0° | 120.0° |
| N9 | C13 | C14 | C15 | 80.1° | 90.0° |
| N9 | C13 | C14 | C19 | 100.6° | 89.4° |
| N9 | C13 | H45 | H46 | 119.9° | 119.9° |
| N12 | C20 | C21 | C25 | 179.8° | 179.8° |
| N12 | C20 | C21 | C22 | 178.0° | 179.7° |
| N12 | C20 | C25 | C24 | 179.8° | 179.7° |
| N12 | C20 | C21 | H50 | 2.0° | 0.3° |
| N12 | C20 | C25 | H53 | 0.2° | 0.2° |
| C13 | C14 | C15 | C19 | 179.2° | 179.4° |
| C13 | C14 | C15 | C16 | 178.9° | 180.0° |
| C13 | C14 | C19 | C18 | 176.9° | 179.9° |
| C14 | C13 | H45 | H46 | 120.0° | 120.0° |
| C13 | C14 | C15 | H47 | 1.1° | 0.3° |
| C13 | C14 | C19 | H49 | 3.1° | 0.2° |
| C14 | C15 | C16 | H47 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 0.9° | 0.3° |
| C15 | C14 | C19 | C18 | 3.9° | 0.5° |
| C15 | C14 | C13 | H45 | 159.8° | 30.0° |
| C15 | C14 | C13 | H46 | 39.9° | 150.0° |
| C14 | C15 | C16 | H48 | 179.1° | 179.7° |
| C15 | C14 | C19 | H49 | 176.1° | 179.6° |
| C19 | C14 | C15 | C16 | 1.9° | 0.6° |
| C14 | C19 | C18 | C17 | 3.3° | 0.2° |
| C14 | C19 | C18 | H49 | 180.0° | 179.8° |
| C14 | C19 | C18 | F34 | 178.8° | 179.7° |
| C19 | C14 | C13 | H45 | 19.4° | 150.5° |
| C19 | C14 | C13 | H46 | 139.3° | 30.5° |
| C19 | C14 | C15 | H47 | 178.1° | 179.7° |
| C15 | C16 | C17 | H48 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 1.5° | 0.1° |
| C15 | C16 | C17 | F35 | 179.7° | 180.0° |
| C16 | C17 | C18 | F35 | 178.8° | 179.9° |
| C16 | C17 | C18 | C19 | 0.5° | 0.1° |
| C16 | C17 | C18 | F34 | 176.4° | 180.0° |
| C17 | C16 | C15 | H47 | 179.1° | 180.0° |
| C17 | C18 | C19 | F34 | 175.6° | 179.9° |
| C18 | C17 | C16 | H48 | 178.5° | 180.0° |
| C17 | C18 | C19 | H49 | 176.8° | 180.0° |
| F35 | C17 | C18 | C19 | 178.2° | 180.0° |
| F35 | C17 | C18 | F34 | 2.4° | 0.1° |
| F35 | C17 | C16 | H48 | 0.3° | 0.1° |
| F34 | C18 | C19 | H49 | 1.2° | 0.1° |
| C20 | C21 | C22 | H50 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 1.6° | 0.1° |
| C21 | C20 | C25 | C24 | 0.0° | 0.1° |
| C20 | C21 | C22 | H51 | 178.5° | 180.0° |
| C21 | C20 | C25 | H53 | 180.0° | 180.0° |
| C21 | C20 | N12 | H44 | 167.3° | 145.9° |
| C25 | C20 | C21 | C22 | 2.1° | 0.1° |
| C20 | C25 | C24 | C23 | 2.6° | 0.1° |
| C20 | C25 | C24 | H53 | 180.0° | 179.9° |
| C25 | C20 | C21 | H50 | 177.9° | 180.0° |
| C20 | C25 | C24 | H52 | 177.4° | 180.0° |
| C25 | C20 | N12 | H44 | 12.9° | 34.3° |
| C21 | C22 | C23 | H51 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 1.1° | 0.1° |
| C21 | C22 | C23 | C26 | 177.5° | 180.0° |
| C22 | C23 | C24 | C26 | 176.3° | 179.9° |
| C22 | C23 | C24 | C25 | 3.2° | 0.1° |
| C22 | C23 | C26 | O27 | 118.7° | 41.0° |
| C22 | C23 | C26 | N28 | 62.3° | 139.0° |
| C23 | C22 | C21 | H50 | 178.5° | 180.0° |
| C22 | C23 | C24 | H52 | 176.8° | 180.0° |
| C23 | C24 | C25 | H52 | 180.0° | 179.9° |
| C24 | C23 | C26 | O27 | 57.9° | 139.0° |
| C24 | C23 | C26 | N28 | 121.1° | 41.1° |
| C24 | C23 | C22 | H51 | 178.9° | 180.0° |
| C23 | C24 | C25 | H53 | 177.4° | 180.0° |
| C26 | C23 | C24 | C25 | 179.6° | 180.0° |
| C23 | C26 | O27 | N28 | 178.9° | 180.0° |
| C23 | C26 | N28 | C29 | 3.7° | 174.5° |
| C23 | C26 | N28 | C33 | 178.8° | 5.2° |
| C26 | C23 | C22 | H51 | 2.5° | 0.1° |
| C26 | C23 | C24 | H52 | 0.4° | 0.1° |
| O27 | C26 | N28 | C29 | 175.3° | 5.5° |
| O27 | C26 | N28 | C33 | 0.2° | 174.8° |
| C26 | N28 | C29 | C33 | 175.1° | 179.7° |
| C26 | N28 | C29 | C30 | 100.1° | 126.4° |
| C26 | N28 | C33 | C32 | 101.8° | 126.4° |
| C26 | N28 | C29 | H55 | 18.6° | 6.6° |
| C26 | N28 | C29 | H54 | 141.2° | 113.8° |
| C26 | N28 | C33 | H62 | 139.5° | 113.8° |
| C26 | N28 | C33 | H61 | 16.8° | 6.6° |
| N28 | C29 | C30 | H55 | 118.7° | 119.8° |
| N28 | C29 | C30 | H54 | 118.7° | 119.8° |
| N28 | C29 | C30 | C31 | 60.4° | 54.7° |
| C29 | N28 | C33 | C32 | 73.6° | 53.9° |
| N28 | C29 | H55 | H54 | 123.8° | 120.4° |
| N28 | C29 | C30 | H56 | 59.1° | 65.3° |
| N28 | C29 | C30 | H57 | 180.0° | 174.6° |
| C29 | N28 | C33 | H62 | 45.1° | 65.9° |
| C29 | N28 | C33 | H61 | 167.8° | 173.7° |
| C33 | N28 | C29 | C30 | 75.0° | 53.9° |
| N28 | C33 | C32 | C31 | 57.8° | 54.9° |
| N28 | C33 | C32 | H62 | 118.7° | 119.7° |
| N28 | C33 | C32 | H61 | 118.7° | 119.7° |
| C33 | N28 | C29 | H55 | 166.3° | 173.6° |
| C33 | N28 | C29 | H54 | 43.7° | 65.9° |
| N28 | C33 | C32 | H60 | 61.9° | 65.2° |
| N28 | C33 | C32 | H59 | 177.5° | 174.7° |
| N28 | C33 | H62 | H61 | 123.8° | 120.3° |
| C29 | C30 | C31 | H56 | 119.5° | 120.0° |
| C29 | C30 | C31 | H57 | 119.5° | 120.0° |
| C29 | C30 | C31 | C32 | 60.1° | 61.4° |
| C29 | C30 | C31 | S36 | 176.1° | 178.6° |
| C30 | C29 | H55 | H54 | 123.8° | 120.3° |
| C29 | C30 | H56 | H57 | 121.3° | 120.0° |
| C29 | C30 | C31 | H58 | 59.7° | 58.6° |
| C30 | C31 | C32 | S36 | 124.2° | 120.0° |
| C30 | C31 | C32 | H58 | 119.9° | 120.0° |
| C30 | C31 | S36 | H58 | 118.3° | 120.0° |
| C30 | C31 | C32 | C33 | 59.2° | 61.5° |
| C30 | C31 | S36 | N37 | 54.6° | 175.0° |
| C30 | C31 | S36 | O38 | 176.0° | 63.4° |
| C30 | C31 | S36 | O39 | 58.3° | 73.4° |
| C31 | C30 | C29 | H55 | 179.1° | 174.4° |
| C31 | C30 | C29 | H54 | 58.2° | 65.1° |
| C31 | C30 | H56 | H57 | 121.3° | 120.1° |
| C30 | C31 | C32 | H60 | 60.4° | 58.6° |
| C30 | C31 | C32 | H59 | 178.9° | 178.7° |
| C32 | C31 | S36 | H58 | 117.6° | 119.9° |
| C31 | C32 | C33 | H60 | 119.7° | 120.1° |
| C31 | C32 | C33 | H59 | 119.7° | 119.9° |
| C32 | C31 | S36 | N37 | 178.7° | 54.9° |
| C32 | C31 | S36 | O38 | 59.9° | 56.6° |
| C32 | C31 | S36 | O39 | 65.8° | 166.5° |
| C32 | C31 | C30 | H56 | 59.5° | 58.6° |
| C32 | C31 | C30 | H57 | 179.6° | 178.7° |
| C31 | C32 | H60 | H59 | 120.9° | 120.1° |
| C31 | C32 | C33 | H62 | 60.9° | 64.9° |
| C31 | C32 | C33 | H61 | 176.5° | 174.6° |
| S36 | C31 | C32 | C33 | 176.5° | 178.5° |
| C31 | S36 | N37 | O38 | 113.1° | 116.1° |
| C31 | S36 | N37 | O39 | 112.1° | 116.1° |
| C31 | S36 | O38 | O39 | 116.0° | 131.6° |
| S36 | C31 | C30 | H56 | 64.4° | 61.4° |
| S36 | C31 | C30 | H57 | 56.5° | 58.6° |
| S36 | C31 | C32 | H60 | 63.8° | 61.4° |
| S36 | C31 | C32 | H59 | 56.9° | 58.6° |
| C31 | S36 | N37 | H64 | 180.0° | 0.0° |
| C31 | S36 | N37 | H63 | 60.0° | 180.0° |
| C33 | C32 | C31 | H58 | 60.6° | 58.5° |
| C33 | C32 | H60 | H59 | 120.9° | 120.1° |
| C32 | C33 | H62 | H61 | 123.8° | 120.6° |
| N37 | S36 | O38 | O39 | 128.7° | 116.7° |
| N37 | S36 | C31 | H58 | 63.7° | 65.0° |
| S36 | N37 | H64 | H63 | 120.0° | 180.0° |
| O38 | S36 | C31 | H58 | 57.7° | 176.6° |
| O38 | S36 | N37 | H64 | 66.9° | 116.1° |
| O38 | S36 | N37 | H63 | 173.0° | 63.9° |
| O39 | S36 | C31 | H58 | 176.6° | 46.6° |
| O39 | S36 | N37 | H64 | 67.9° | 116.1° |
| O39 | S36 | N37 | H63 | 52.1° | 63.9° |
| H43 | C11 | H41 | H42 | 120.0° | 120.1° |
| H47 | C15 | C16 | H48 | 0.9° | 0.0° |
| H50 | C21 | C22 | H51 | 1.5° | 0.0° |
| H52 | C24 | C25 | H53 | 2.6° | 0.1° |
| H55 | C29 | C30 | H56 | 59.6° | 54.4° |
| H55 | C29 | C30 | H57 | 61.3° | 65.6° |
| H54 | C29 | C30 | H56 | 177.8° | 174.9° |
| H54 | C29 | C30 | H57 | 61.3° | 54.8° |
| H56 | C30 | C31 | H58 | 179.2° | 178.6° |
| H57 | C30 | C31 | H58 | 59.9° | 61.4° |
| H58 | C31 | C32 | H60 | 179.7° | 178.6° |
| H58 | C31 | C32 | H59 | 59.0° | 61.3° |
| H60 | C32 | C33 | H62 | 179.4° | 175.1° |
| H60 | C32 | C33 | H61 | 56.8° | 54.5° |
| H59 | C32 | C33 | H62 | 58.8° | 55.0° |
| H59 | C32 | C33 | H61 | 63.8° | 65.6° |
