A1IHB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.51Å | |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | C5 | doub | 1.38Å | 1.42Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.42Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C8 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | S | sing | 1.76Å | 1.80Å | |
| O | S | doub | 1.42Å | 1.43Å | |
| O1 | S | doub | 1.42Å | 1.43Å | |
| S | N | sing | 1.66Å | 1.65Å | |
| N | C9 | sing | 1.40Å | 1.44Å | |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | N1 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | N1 | sing | 1.46Å | 1.47Å | |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C22 | sing | 1.36Å | 1.37Å | Aromatic |
| C22 | C23 | sing | 1.51Å | 1.49Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.50Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C28 | C29 | sing | 1.53Å | 1.51Å | |
| C29 | N2 | sing | 1.46Å | 1.46Å | |
| N2 | C30 | sing | 1.35Å | 1.33Å | |
| C30 | O2 | doub | 1.21Å | 1.23Å | |
| C31 | C30 | sing | 1.51Å | 1.51Å | |
| C32 | C31 | sing | 1.53Å | 1.55Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C33 | C34 | sing | 1.53Å | 1.54Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C38 | C37 | sing | 1.53Å | 1.53Å | |
| C39 | C38 | sing | 1.53Å | 1.53Å | |
| C34 | C39 | sing | 1.53Å | 1.53Å | |
| C40 | C38 | sing | 1.53Å | 1.54Å | |
| C32 | C40 | sing | 1.53Å | 1.54Å | |
| C36 | C41 | sing | 1.53Å | 1.53Å | |
| C41 | C32 | sing | 1.53Å | 1.54Å | |
| N3 | C22 | doub | 1.30Å | 1.32Å | Aromatic |
| C11 | N3 | sing | 1.36Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| N2 | H36 | sing | 0.97Å | 1.00Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| N | H11 | sing | 0.97Å | 1.00Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C33 | H39 | sing | 1.09Å | 1.10Å | |
| C33 | H40 | sing | 1.09Å | 1.10Å | |
| C34 | H41 | sing | 1.09Å | 1.10Å | |
| C35 | H42 | sing | 1.09Å | 1.10Å | |
| C35 | H43 | sing | 1.09Å | 1.10Å | |
| C36 | H44 | sing | 1.09Å | 1.10Å | |
| C37 | H45 | sing | 1.09Å | 1.10Å | |
| C37 | H46 | sing | 1.09Å | 1.10Å | |
| C38 | H47 | sing | 1.09Å | 1.10Å | |
| C39 | H49 | sing | 1.09Å | 1.10Å | |
| C39 | H48 | sing | 1.09Å | 1.10Å | |
| C40 | H50 | sing | 1.09Å | 1.10Å | |
| C40 | H51 | sing | 1.09Å | 1.10Å | |
| C41 | H52 | sing | 1.09Å | 1.10Å | |
| C41 | H53 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 120.7° | 120.1° |
| C | C1 | C8 | 121.0° | 120.0° |
| C1 | C | H1 | 109.5° | 109.5° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H | 109.4° | 109.4° |
| C1 | C2 | C3 | 122.6° | 120.0° |
| C2 | C1 | C8 | 118.1° | 120.0° |
| C1 | C2 | H3 | 118.7° | 120.0° |
| C2 | C3 | C4 | 116.3° | 120.0° |
| C2 | C3 | C5 | 118.0° | 120.0° |
| C3 | C2 | H3 | 118.7° | 120.0° |
| C4 | C3 | C5 | 125.6° | 120.0° |
| C3 | C4 | H6 | 109.5° | 109.5° |
| C3 | C4 | H4 | 109.4° | 109.5° |
| C3 | C4 | H5 | 109.4° | 109.5° |
| C3 | C5 | C6 | 120.6° | 120.0° |
| C3 | C5 | S | 120.2° | 120.0° |
| C5 | C6 | C7 | 125.2° | 120.0° |
| C5 | C6 | C8 | 118.0° | 120.0° |
| C6 | C5 | S | 119.2° | 120.0° |
| C7 | C6 | C8 | 116.7° | 120.0° |
| C6 | C7 | H7 | 109.5° | 109.4° |
| C6 | C7 | H8 | 109.4° | 109.5° |
| C6 | C7 | H9 | 109.5° | 109.4° |
| C6 | C8 | C1 | 122.6° | 120.0° |
| C6 | C8 | H10 | 118.7° | 120.0° |
| C1 | C8 | H10 | 118.7° | 120.0° |
| C5 | S | O | 109.8° | 106.4° |
| C5 | S | O1 | 108.9° | 106.4° |
| C5 | S | N | 106.6° | 107.2° |
| O | S | O1 | 118.8° | 123.2° |
| O | S | N | 105.0° | 106.4° |
| O1 | S | N | 107.0° | 106.4° |
| S | N | C9 | 133.3° | 120.0° |
| S | N | H11 | 103.2° | 120.0° |
| N | C9 | C10 | 121.2° | 119.8° |
| N | C9 | C14 | 118.5° | 119.8° |
| C9 | N | H11 | 103.2° | 120.0° |
| C9 | C10 | C11 | 119.0° | 119.7° |
| C10 | C9 | C14 | 120.3° | 120.4° |
| C9 | C10 | H12 | 120.5° | 120.2° |
| C10 | C11 | C12 | 119.5° | 119.6° |
| C10 | C11 | N3 | 130.3° | 133.5° |
| C11 | C10 | H12 | 120.5° | 120.1° |
| C11 | C12 | C13 | 122.1° | 120.0° |
| C11 | C12 | N1 | 105.3° | 106.0° |
| C12 | C11 | N3 | 110.2° | 106.9° |
| C12 | C13 | C14 | 118.3° | 119.9° |
| C13 | C12 | N1 | 132.6° | 134.0° |
| C12 | C13 | H13 | 120.9° | 120.0° |
| C13 | C14 | C9 | 120.8° | 120.4° |
| C14 | C13 | H13 | 120.8° | 120.1° |
| C13 | C14 | H14 | 119.6° | 119.8° |
| C9 | C14 | H14 | 119.6° | 119.8° |
| C12 | N1 | C15 | 125.1° | 126.4° |
| C12 | N1 | C22 | 106.7° | 107.3° |
| N1 | C15 | C16 | 113.2° | 109.5° |
| C15 | N1 | C22 | 128.2° | 126.3° |
| N1 | C15 | H15 | 108.5° | 109.5° |
| N1 | C15 | H16 | 108.5° | 109.5° |
| C15 | C16 | C17 | 120.7° | 120.0° |
| C15 | C16 | C21 | 120.7° | 120.0° |
| C16 | C15 | H15 | 108.5° | 109.5° |
| C16 | C15 | H16 | 108.5° | 109.4° |
| C16 | C17 | C18 | 120.8° | 120.0° |
| C17 | C16 | C21 | 118.4° | 120.0° |
| C16 | C17 | H17 | 119.6° | 120.0° |
| C17 | C18 | C19 | 120.2° | 120.0° |
| C18 | C17 | H17 | 119.6° | 120.1° |
| C17 | C18 | H18 | 119.9° | 119.9° |
| C18 | C19 | C20 | 119.6° | 120.0° |
| C19 | C18 | H18 | 119.9° | 120.0° |
| C18 | C19 | H19 | 120.2° | 120.0° |
| C19 | C20 | C21 | 120.2° | 120.0° |
| C20 | C19 | H19 | 120.2° | 120.0° |
| C19 | C20 | H20 | 119.9° | 120.0° |
| C20 | C21 | C16 | 120.8° | 120.0° |
| C21 | C20 | H20 | 119.9° | 120.0° |
| C20 | C21 | H21 | 119.6° | 119.9° |
| C16 | C21 | H21 | 119.6° | 120.0° |
| N1 | C22 | C23 | 122.9° | 124.9° |
| N1 | C22 | N3 | 112.7° | 110.1° |
| C22 | C23 | C24 | 114.8° | 109.5° |
| C23 | C22 | N3 | 124.0° | 124.9° |
| C22 | C23 | H22 | 108.1° | 109.4° |
| C22 | C23 | H23 | 108.1° | 109.4° |
| C23 | C24 | C25 | 113.3° | 109.5° |
| C24 | C23 | H22 | 108.1° | 109.5° |
| C24 | C23 | H23 | 108.1° | 109.5° |
| C23 | C24 | H25 | 108.5° | 109.5° |
| C23 | C24 | H24 | 108.5° | 109.5° |
| C24 | C25 | C26 | 112.3° | 109.5° |
| C25 | C24 | H25 | 108.5° | 109.5° |
| C25 | C24 | H24 | 108.5° | 109.5° |
| C24 | C25 | H27 | 108.7° | 109.5° |
| C24 | C25 | H26 | 108.8° | 109.5° |
| C25 | C26 | C27 | 113.2° | 109.5° |
| C26 | C25 | H27 | 108.8° | 109.4° |
| C26 | C25 | H26 | 108.8° | 109.5° |
| C25 | C26 | H28 | 108.5° | 109.4° |
| C25 | C26 | H29 | 108.5° | 109.5° |
| C26 | C27 | C28 | 112.7° | 109.5° |
| C27 | C26 | H28 | 108.5° | 109.4° |
| C27 | C26 | H29 | 108.5° | 109.5° |
| C26 | C27 | H31 | 108.6° | 109.4° |
| C26 | C27 | H30 | 108.7° | 109.5° |
| C27 | C28 | C29 | 114.0° | 109.5° |
| C28 | C27 | H31 | 108.7° | 109.5° |
| C28 | C27 | H30 | 108.7° | 109.5° |
| C27 | C28 | H33 | 108.3° | 109.4° |
| C27 | C28 | H32 | 108.3° | 109.5° |
| C28 | C29 | N2 | 111.3° | 109.4° |
| C29 | C28 | H33 | 108.3° | 109.5° |
| C29 | C28 | H32 | 108.3° | 109.5° |
| C28 | C29 | H35 | 109.0° | 109.5° |
| C28 | C29 | H34 | 109.0° | 109.4° |
| C29 | N2 | C30 | 121.9° | 120.0° |
| C29 | N2 | H36 | 119.1° | 120.1° |
| N2 | C29 | H35 | 109.0° | 109.5° |
| N2 | C29 | H34 | 109.0° | 109.5° |
| N2 | C30 | O2 | 123.5° | 120.0° |
| N2 | C30 | C31 | 114.8° | 120.0° |
| C30 | N2 | H36 | 119.0° | 120.0° |
| O2 | C30 | C31 | 121.7° | 120.0° |
| C30 | C31 | C32 | 116.0° | 109.5° |
| C30 | C31 | H38 | 107.8° | 109.5° |
| C30 | C31 | H37 | 107.8° | 109.4° |
| C31 | C32 | C33 | 111.6° | 109.5° |
| C31 | C32 | C40 | 111.3° | 109.5° |
| C31 | C32 | C41 | 108.6° | 109.4° |
| C32 | C31 | H38 | 107.8° | 109.5° |
| C32 | C31 | H37 | 107.8° | 109.5° |
| C32 | C33 | C34 | 110.5° | 109.5° |
| C33 | C32 | C40 | 108.3° | 109.4° |
| C33 | C32 | C41 | 108.5° | 109.5° |
| C32 | C33 | H39 | 109.2° | 109.4° |
| C32 | C33 | H40 | 109.2° | 109.5° |
| C33 | C34 | C35 | 109.3° | 109.4° |
| C33 | C34 | C39 | 109.4° | 109.5° |
| C34 | C33 | H39 | 109.2° | 109.5° |
| C34 | C33 | H40 | 109.2° | 109.5° |
| C33 | C34 | H41 | 109.5° | 109.5° |
| C34 | C35 | C36 | 109.5° | 109.5° |
| C35 | C34 | C39 | 109.6° | 109.5° |
| C35 | C34 | H41 | 109.5° | 109.4° |
| C34 | C35 | H42 | 109.5° | 109.5° |
| C34 | C35 | H43 | 109.5° | 109.5° |
| C35 | C36 | C37 | 109.7° | 109.4° |
| C35 | C36 | C41 | 109.3° | 109.5° |
| C36 | C35 | H42 | 109.5° | 109.5° |
| C36 | C35 | H43 | 109.5° | 109.4° |
| C35 | C36 | H44 | 109.5° | 109.5° |
| C36 | C37 | C38 | 109.4° | 109.5° |
| C37 | C36 | C41 | 109.4° | 109.5° |
| C37 | C36 | H44 | 109.5° | 109.5° |
| C36 | C37 | H45 | 109.5° | 109.5° |
| C36 | C37 | H46 | 109.5° | 109.5° |
| C37 | C38 | C39 | 109.6° | 109.4° |
| C37 | C38 | C40 | 109.3° | 109.5° |
| C38 | C37 | H45 | 109.5° | 109.4° |
| C38 | C37 | H46 | 109.5° | 109.4° |
| C37 | C38 | H47 | 109.5° | 109.4° |
| C38 | C39 | C34 | 109.5° | 109.5° |
| C39 | C38 | C40 | 109.4° | 109.5° |
| C39 | C38 | H47 | 109.5° | 109.5° |
| C38 | C39 | H49 | 109.5° | 109.5° |
| C38 | C39 | H48 | 109.5° | 109.4° |
| C39 | C34 | H41 | 109.5° | 109.5° |
| C34 | C39 | H49 | 109.5° | 109.5° |
| C34 | C39 | H48 | 109.4° | 109.5° |
| C38 | C40 | C32 | 110.6° | 109.5° |
| C40 | C38 | H47 | 109.4° | 109.5° |
| C38 | C40 | H50 | 109.2° | 109.5° |
| C38 | C40 | H51 | 109.2° | 109.5° |
| C40 | C32 | C41 | 108.4° | 109.5° |
| C32 | C40 | H50 | 109.2° | 109.5° |
| C32 | C40 | H51 | 109.2° | 109.4° |
| C36 | C41 | C32 | 110.6° | 109.5° |
| C41 | C36 | H44 | 109.5° | 109.5° |
| C36 | C41 | H52 | 109.2° | 109.5° |
| C36 | C41 | H53 | 109.2° | 109.5° |
| C32 | C41 | H52 | 109.2° | 109.5° |
| C32 | C41 | H53 | 109.2° | 109.4° |
| C22 | N3 | C11 | 105.1° | 109.7° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H7 | C7 | H9 | 109.5° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H6 | C4 | H4 | 109.5° | 109.5° |
| H6 | C4 | H5 | 109.5° | 109.5° |
| H4 | C4 | H5 | 109.5° | 109.4° |
| H1 | C | H2 | 109.5° | 109.5° |
| H1 | C | H | 109.5° | 109.5° |
| H2 | C | H | 109.5° | 109.5° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H22 | C23 | H23 | 109.5° | 109.5° |
| H25 | C24 | H24 | 109.4° | 109.5° |
| H27 | C25 | H26 | 109.5° | 109.4° |
| H28 | C26 | H29 | 109.5° | 109.5° |
| H31 | C27 | H30 | 109.5° | 109.5° |
| H33 | C28 | H32 | 109.5° | 109.5° |
| H35 | C29 | H34 | 109.5° | 109.5° |
| H38 | C31 | H37 | 109.5° | 109.4° |
| H39 | C33 | H40 | 109.5° | 109.4° |
| H42 | C35 | H43 | 109.5° | 109.4° |
| H45 | C37 | H46 | 109.5° | 109.4° |
| H49 | C39 | H48 | 109.5° | 109.4° |
| H50 | C40 | H51 | 109.5° | 109.4° |
| H52 | C41 | H53 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C8 | 174.9° | 179.9° |
| C | C1 | C2 | C3 | 172.1° | 179.9° |
| C | C1 | C8 | C6 | 173.1° | 179.9° |
| C | C1 | C8 | H10 | 6.9° | 0.3° |
| C | C1 | C2 | H3 | 7.9° | 0.1° |
| C1 | C | H1 | H2 | 120.0° | 120.0° |
| C1 | C | H1 | H | 120.0° | 119.9° |
| C1 | C | H2 | H | 120.0° | 120.0° |
| C1 | C2 | C3 | H3 | 180.0° | 179.8° |
| C1 | C2 | C3 | C4 | 172.5° | 179.7° |
| C1 | C2 | C3 | C5 | 2.9° | 0.2° |
| C2 | C1 | C8 | C6 | 1.7° | 0.1° |
| C2 | C1 | C8 | H10 | 178.2° | 179.7° |
| C2 | C1 | C | H1 | 92.6° | 90.0° |
| C2 | C1 | C | H2 | 147.4° | 150.0° |
| C2 | C1 | C | H | 27.4° | 30.0° |
| C2 | C3 | C4 | C5 | 175.0° | 179.9° |
| C2 | C3 | C5 | C6 | 1.9° | 0.4° |
| C3 | C2 | C1 | C8 | 2.8° | 0.1° |
| C2 | C3 | C5 | S | 179.2° | 180.0° |
| C2 | C3 | C4 | H6 | 87.9° | 96.3° |
| C2 | C3 | C4 | H4 | 152.0° | 23.7° |
| C2 | C3 | C4 | H5 | 32.0° | 143.7° |
| C4 | C3 | C5 | C6 | 173.0° | 179.5° |
| C4 | C3 | C5 | S | 5.9° | 0.1° |
| C3 | C4 | H6 | H4 | 120.0° | 120.0° |
| C3 | C4 | H6 | H5 | 120.0° | 120.0° |
| C3 | C4 | H4 | H5 | 120.0° | 120.0° |
| C4 | C3 | C2 | H3 | 7.5° | 0.5° |
| C3 | C5 | C6 | S | 179.0° | 179.5° |
| C3 | C5 | C6 | C7 | 175.1° | 179.5° |
| C3 | C5 | C6 | C8 | 0.9° | 0.4° |
| C3 | C5 | S | O | 23.6° | 32.0° |
| C3 | C5 | S | O1 | 108.0° | 164.9° |
| C3 | C5 | S | N | 136.9° | 81.6° |
| C5 | C3 | C4 | H6 | 87.1° | 83.8° |
| C5 | C3 | C4 | H4 | 32.9° | 156.2° |
| C5 | C3 | C4 | H5 | 153.0° | 36.2° |
| C5 | C3 | C2 | H3 | 177.1° | 179.6° |
| C5 | C6 | C7 | C8 | 176.1° | 179.9° |
| C5 | C6 | C8 | C1 | 0.9° | 0.2° |
| C6 | C5 | S | O | 157.4° | 148.5° |
| C6 | C5 | S | O1 | 71.0° | 15.5° |
| C6 | C5 | S | N | 44.1° | 98.0° |
| C5 | C6 | C7 | H7 | 87.7° | 81.1° |
| C5 | C6 | C7 | H8 | 152.3° | 38.9° |
| C5 | C6 | C7 | H9 | 32.3° | 158.9° |
| C5 | C6 | C8 | H10 | 179.1° | 180.0° |
| C7 | C6 | C8 | C1 | 175.5° | 179.7° |
| C7 | C6 | C5 | S | 3.8° | 0.1° |
| C6 | C7 | H7 | H8 | 120.0° | 120.0° |
| C6 | C7 | H7 | H9 | 120.0° | 119.9° |
| C6 | C7 | H8 | H9 | 120.0° | 120.0° |
| C7 | C6 | C8 | H10 | 4.5° | 0.1° |
| C6 | C8 | C1 | H10 | 180.0° | 179.8° |
| C8 | C6 | C5 | S | 179.9° | 180.0° |
| C8 | C6 | C7 | H7 | 88.4° | 99.0° |
| C8 | C6 | C7 | H8 | 31.6° | 141.0° |
| C8 | C6 | C7 | H9 | 151.6° | 21.0° |
| C8 | C1 | C2 | H3 | 177.2° | 179.9° |
| C8 | C1 | C | H1 | 92.6° | 90.1° |
| C8 | C1 | C | H2 | 27.4° | 30.0° |
| C8 | C1 | C | H | 147.3° | 150.0° |
| C5 | S | O | O1 | 126.2° | 123.0° |
| C5 | S | O | N | 114.3° | 114.1° |
| C5 | S | O1 | N | 114.9° | 114.1° |
| C5 | S | N | C9 | 75.2° | 66.8° |
| C5 | S | N | H11 | 161.8° | 113.2° |
| O | S | O1 | N | 118.5° | 122.9° |
| O | S | N | C9 | 41.3° | 179.7° |
| O | S | N | H11 | 81.7° | 0.3° |
| O1 | S | N | C9 | 168.5° | 46.8° |
| O1 | S | N | H11 | 45.5° | 133.2° |
| S | N | C9 | H11 | 123.0° | 180.0° |
| S | N | C9 | C10 | 20.4° | 131.4° |
| S | N | C9 | C14 | 159.3° | 48.7° |
| N | C9 | C10 | C14 | 179.7° | 179.9° |
| N | C9 | C10 | C11 | 178.9° | 179.9° |
| N | C9 | C14 | C13 | 179.4° | 179.9° |
| N | C9 | C10 | H12 | 1.1° | 0.0° |
| N | C9 | C14 | H14 | 0.6° | 0.1° |
| C9 | C10 | C11 | H12 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.7° | 0.0° |
| C10 | C9 | C14 | C13 | 0.2° | 0.0° |
| C9 | C10 | C11 | N3 | 176.7° | 179.9° |
| C10 | C9 | N | H11 | 143.3° | 48.7° |
| C10 | C9 | C14 | H14 | 179.8° | 180.0° |
| C10 | C11 | C12 | N3 | 177.8° | 179.9° |
| C10 | C11 | C12 | C13 | 0.0° | 0.1° |
| C11 | C10 | C9 | C14 | 0.8° | 0.0° |
| C10 | C11 | C12 | N1 | 177.6° | 180.0° |
| C10 | C11 | N3 | C22 | 176.2° | 180.0° |
| C11 | C12 | C13 | N1 | 176.9° | 179.8° |
| C11 | C12 | C13 | C14 | 0.5° | 0.1° |
| C11 | C12 | N1 | C15 | 179.4° | 179.8° |
| C11 | C12 | N1 | C22 | 1.0° | 0.1° |
| C12 | C11 | N3 | C22 | 1.3° | 0.1° |
| C12 | C11 | C10 | H12 | 179.4° | 180.0° |
| C11 | C12 | C13 | H13 | 179.5° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C9 | 0.4° | 0.0° |
| C13 | C12 | N1 | C15 | 3.4° | 0.4° |
| C13 | C12 | N1 | C22 | 176.3° | 179.9° |
| C13 | C12 | C11 | N3 | 177.8° | 180.0° |
| C12 | C13 | C14 | H14 | 179.6° | 179.9° |
| C13 | C14 | C9 | H14 | 180.0° | 180.0° |
| C14 | C13 | C12 | N1 | 176.4° | 179.9° |
| C14 | C9 | N | H11 | 36.3° | 131.2° |
| C14 | C9 | C10 | H12 | 179.2° | 179.9° |
| C9 | C14 | C13 | H13 | 179.6° | 179.9° |
| C12 | N1 | C15 | C22 | 179.6° | 179.6° |
| C12 | N1 | C15 | C16 | 62.5° | 90.4° |
| C12 | N1 | C22 | C23 | 170.7° | 180.0° |
| C12 | N1 | C22 | N3 | 1.9° | 0.0° |
| N1 | C12 | C11 | N3 | 0.2° | 0.1° |
| N1 | C12 | C13 | H13 | 3.6° | 0.2° |
| C12 | N1 | C15 | H15 | 177.0° | 29.6° |
| C12 | N1 | C15 | H16 | 58.1° | 149.7° |
| N1 | C15 | C16 | H15 | 120.6° | 120.0° |
| N1 | C15 | C16 | H16 | 120.5° | 120.0° |
| N1 | C15 | C16 | C17 | 127.1° | 90.0° |
| N1 | C15 | C16 | C21 | 48.3° | 90.3° |
| C15 | N1 | C22 | C23 | 9.0° | 0.3° |
| C15 | N1 | C22 | N3 | 178.4° | 179.7° |
| N1 | C15 | H15 | H16 | 118.3° | 120.0° |
| C15 | C16 | C17 | C21 | 175.5° | 179.7° |
| C15 | C16 | C17 | C18 | 174.1° | 180.0° |
| C15 | C16 | C21 | C20 | 173.6° | 179.8° |
| C16 | C15 | N1 | C22 | 118.0° | 90.0° |
| C16 | C15 | H15 | H16 | 118.3° | 120.0° |
| C15 | C16 | C17 | H17 | 5.9° | 0.1° |
| C15 | C16 | C21 | H21 | 6.4° | 0.2° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.1° | 0.0° |
| C17 | C16 | C21 | C20 | 1.9° | 0.5° |
| C17 | C16 | C15 | H15 | 112.3° | 30.0° |
| C17 | C16 | C15 | H16 | 6.6° | 150.0° |
| C16 | C17 | C18 | H18 | 179.9° | 179.9° |
| C17 | C16 | C21 | H21 | 178.1° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 1.0° | 0.1° |
| C18 | C17 | C16 | C21 | 1.4° | 0.3° |
| C17 | C18 | C19 | H19 | 178.9° | 180.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.5° | 0.2° |
| C19 | C18 | C17 | H17 | 179.9° | 179.9° |
| C18 | C19 | C20 | H20 | 179.5° | 180.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.8° |
| C19 | C20 | C21 | C16 | 1.0° | 0.4° |
| C20 | C19 | C18 | H18 | 179.0° | 180.0° |
| C19 | C20 | C21 | H21 | 179.0° | 180.0° |
| C20 | C21 | C16 | H21 | 180.0° | 179.5° |
| C21 | C20 | C19 | H19 | 179.5° | 179.8° |
| C21 | C16 | C15 | H15 | 72.3° | 149.7° |
| C21 | C16 | C15 | H16 | 168.8° | 29.7° |
| C21 | C16 | C17 | H17 | 178.6° | 179.8° |
| C16 | C21 | C20 | H20 | 179.0° | 179.7° |
| N1 | C22 | C23 | N3 | 171.8° | 180.0° |
| N1 | C22 | C23 | C24 | 63.6° | 90.0° |
| N1 | C22 | N3 | C11 | 2.0° | 0.1° |
| C22 | N1 | C15 | H15 | 2.6° | 150.0° |
| C22 | N1 | C15 | H16 | 121.5° | 30.0° |
| N1 | C22 | C23 | H22 | 175.6° | 150.0° |
| N1 | C22 | C23 | H23 | 57.2° | 30.0° |
| C22 | C23 | C24 | H22 | 120.8° | 120.0° |
| C22 | C23 | C24 | H23 | 120.8° | 120.0° |
| C22 | C23 | C24 | C25 | 84.3° | 180.0° |
| C23 | C22 | N3 | C11 | 170.5° | 180.0° |
| C22 | C23 | H22 | H23 | 117.6° | 119.9° |
| C22 | C23 | C24 | H25 | 155.1° | 60.0° |
| C22 | C23 | C24 | H24 | 36.3° | 60.0° |
| C23 | C24 | C25 | H25 | 120.6° | 120.1° |
| C23 | C24 | C25 | H24 | 120.6° | 120.0° |
| C23 | C24 | C25 | C26 | 65.9° | 180.0° |
| C24 | C23 | C22 | N3 | 124.6° | 90.0° |
| C24 | C23 | H22 | H23 | 117.5° | 120.1° |
| C23 | C24 | H25 | H24 | 118.3° | 120.0° |
| C23 | C24 | C25 | H27 | 173.7° | 60.0° |
| C23 | C24 | C25 | H26 | 54.5° | 60.0° |
| C24 | C25 | C26 | H27 | 120.4° | 120.0° |
| C24 | C25 | C26 | H26 | 120.4° | 120.1° |
| C24 | C25 | C26 | C27 | 160.2° | 180.0° |
| C25 | C24 | C23 | H22 | 36.5° | 60.0° |
| C25 | C24 | C23 | H23 | 155.0° | 60.1° |
| C25 | C24 | H25 | H24 | 118.3° | 120.0° |
| C24 | C25 | H27 | H26 | 118.7° | 120.0° |
| C24 | C25 | C26 | H28 | 39.6° | 60.0° |
| C24 | C25 | C26 | H29 | 79.3° | 60.0° |
| C25 | C26 | C27 | H28 | 120.5° | 120.0° |
| C25 | C26 | C27 | H29 | 120.6° | 120.0° |
| C25 | C26 | C27 | C28 | 126.9° | 180.0° |
| C26 | C25 | C24 | H25 | 54.7° | 60.0° |
| C26 | C25 | C24 | H24 | 173.5° | 60.0° |
| C26 | C25 | H27 | H26 | 118.7° | 120.0° |
| C25 | C26 | H28 | H29 | 118.3° | 120.0° |
| C25 | C26 | C27 | H31 | 112.6° | 60.0° |
| C25 | C26 | C27 | H30 | 6.4° | 60.0° |
| C26 | C27 | C28 | H31 | 120.5° | 119.9° |
| C26 | C27 | C28 | H30 | 120.5° | 120.0° |
| C26 | C27 | C28 | C29 | 123.2° | 180.0° |
| C27 | C26 | C25 | H27 | 79.4° | 60.0° |
| C27 | C26 | C25 | H26 | 39.8° | 59.9° |
| C27 | C26 | H28 | H29 | 118.3° | 120.0° |
| C26 | C27 | H31 | H30 | 118.5° | 120.0° |
| C26 | C27 | C28 | H33 | 2.6° | 60.0° |
| C26 | C27 | C28 | H32 | 116.1° | 60.0° |
| C27 | C28 | C29 | H33 | 120.7° | 119.9° |
| C27 | C28 | C29 | H32 | 120.7° | 120.0° |
| C27 | C28 | C29 | N2 | 45.6° | 180.0° |
| C28 | C27 | C26 | H28 | 6.3° | 60.0° |
| C28 | C27 | C26 | H29 | 112.6° | 60.0° |
| C28 | C27 | H31 | H30 | 118.6° | 120.0° |
| C27 | C28 | H33 | H32 | 118.0° | 120.0° |
| C27 | C28 | C29 | H35 | 74.6° | 60.0° |
| C27 | C28 | C29 | H34 | 165.9° | 60.0° |
| C28 | C29 | N2 | H35 | 120.3° | 120.0° |
| C28 | C29 | N2 | H34 | 120.3° | 119.9° |
| C28 | C29 | N2 | C30 | 166.7° | 180.0° |
| C28 | C29 | N2 | H36 | 13.3° | 0.0° |
| C29 | C28 | C27 | H31 | 116.3° | 60.1° |
| C29 | C28 | C27 | H30 | 2.8° | 60.0° |
| C29 | C28 | H33 | H32 | 117.9° | 120.1° |
| C28 | C29 | H35 | H34 | 119.2° | 120.0° |
| C29 | N2 | C30 | H36 | 180.0° | 180.0° |
| C29 | N2 | C30 | O2 | 148.1° | 0.0° |
| C29 | N2 | C30 | C31 | 31.8° | 180.0° |
| N2 | C29 | C28 | H33 | 166.3° | 60.0° |
| N2 | C29 | C28 | H32 | 75.0° | 60.0° |
| N2 | C29 | H35 | H34 | 119.2° | 120.0° |
| N2 | C30 | O2 | C31 | 179.9° | 180.0° |
| N2 | C30 | C31 | C32 | 97.3° | 180.0° |
| C30 | N2 | C29 | H35 | 46.4° | 60.0° |
| C30 | N2 | C29 | H34 | 73.0° | 60.0° |
| N2 | C30 | C31 | H38 | 23.6° | 59.9° |
| N2 | C30 | C31 | H37 | 141.7° | 60.0° |
| O2 | C30 | C31 | C32 | 82.8° | 0.0° |
| O2 | C30 | N2 | H36 | 31.9° | 180.0° |
| O2 | C30 | C31 | H38 | 156.2° | 120.0° |
| O2 | C30 | C31 | H37 | 38.1° | 120.0° |
| C30 | C31 | C32 | H38 | 120.9° | 120.0° |
| C30 | C31 | C32 | H37 | 120.9° | 120.0° |
| C30 | C31 | C32 | C33 | 14.3° | 180.0° |
| C30 | C31 | C32 | C40 | 106.9° | 60.0° |
| C30 | C31 | C32 | C41 | 133.9° | 60.0° |
| C31 | C30 | N2 | H36 | 148.2° | 0.0° |
| C30 | C31 | H38 | H37 | 117.0° | 120.0° |
| C31 | C32 | C33 | C40 | 122.9° | 120.0° |
| C31 | C32 | C33 | C41 | 119.7° | 120.0° |
| C31 | C32 | C33 | C34 | 178.3° | 180.0° |
| C31 | C32 | C40 | C38 | 178.1° | 179.9° |
| C31 | C32 | C40 | C41 | 119.4° | 120.0° |
| C31 | C32 | C41 | C36 | 179.8° | 180.0° |
| C32 | C31 | H38 | H37 | 117.1° | 120.0° |
| C31 | C32 | C33 | H39 | 58.1° | 60.0° |
| C31 | C32 | C33 | H40 | 61.6° | 60.0° |
| C31 | C32 | C40 | H50 | 58.0° | 60.0° |
| C31 | C32 | C40 | H51 | 61.7° | 60.0° |
| C31 | C32 | C41 | H52 | 60.0° | 60.0° |
| C31 | C32 | C41 | H53 | 59.7° | 60.1° |
| C32 | C33 | C34 | H39 | 120.2° | 120.0° |
| C32 | C33 | C34 | H40 | 120.1° | 120.1° |
| C32 | C33 | C34 | C35 | 59.9° | 60.0° |
| C32 | C33 | C34 | C39 | 60.0° | 60.0° |
| C33 | C32 | C40 | C38 | 58.8° | 60.0° |
| C33 | C32 | C40 | C41 | 117.5° | 120.0° |
| C33 | C32 | C41 | C36 | 58.7° | 60.0° |
| C33 | C32 | C31 | H38 | 135.3° | 60.0° |
| C33 | C32 | C31 | H37 | 106.6° | 60.0° |
| C32 | C33 | H39 | H40 | 119.5° | 120.0° |
| C32 | C33 | C34 | H41 | 179.9° | 180.0° |
| C33 | C32 | C40 | H50 | 179.0° | 60.0° |
| C33 | C32 | C40 | H51 | 61.4° | 180.0° |
| C33 | C32 | C41 | H52 | 61.5° | 180.0° |
| C33 | C32 | C41 | H53 | 178.8° | 60.0° |
| C33 | C34 | C35 | C39 | 119.9° | 120.0° |
| C33 | C34 | C35 | H41 | 119.9° | 120.0° |
| C33 | C34 | C35 | C36 | 60.2° | 60.0° |
| C33 | C34 | C39 | C38 | 60.0° | 59.9° |
| C33 | C34 | C39 | H41 | 120.0° | 120.1° |
| C34 | C33 | C32 | C40 | 58.8° | 60.0° |
| C34 | C33 | C32 | C41 | 58.6° | 60.0° |
| C34 | C33 | H39 | H40 | 119.5° | 120.0° |
| C33 | C34 | C35 | H42 | 59.8° | 60.0° |
| C33 | C34 | C35 | H43 | 179.8° | 180.0° |
| C33 | C34 | C39 | H49 | 60.0° | 180.0° |
| C33 | C34 | C39 | H48 | 180.0° | 60.0° |
| C34 | C35 | C36 | H42 | 120.0° | 120.1° |
| C34 | C35 | C36 | H43 | 120.0° | 120.0° |
| C34 | C35 | C36 | C37 | 59.8° | 60.0° |
| C35 | C34 | C39 | C38 | 59.9° | 60.0° |
| C35 | C34 | C39 | H41 | 120.2° | 120.0° |
| C34 | C35 | C36 | C41 | 60.2° | 60.0° |
| C35 | C34 | C33 | H39 | 60.2° | 60.0° |
| C35 | C34 | C33 | H40 | 179.9° | 180.0° |
| C34 | C35 | H42 | H43 | 120.0° | 120.0° |
| C34 | C35 | C36 | H44 | 179.9° | 180.0° |
| C35 | C34 | C39 | H49 | 179.9° | 60.1° |
| C35 | C34 | C39 | H48 | 60.2° | 180.0° |
| C35 | C36 | C37 | C41 | 119.9° | 120.0° |
| C35 | C36 | C37 | H44 | 120.2° | 120.0° |
| C35 | C36 | C37 | C38 | 59.7° | 60.0° |
| C36 | C35 | C34 | C39 | 59.7° | 60.0° |
| C35 | C36 | C41 | H44 | 119.9° | 120.0° |
| C35 | C36 | C41 | C32 | 60.0° | 60.0° |
| C36 | C35 | C34 | H41 | 179.9° | 180.0° |
| C36 | C35 | H42 | H43 | 120.0° | 119.9° |
| C35 | C36 | C37 | H45 | 179.7° | 180.0° |
| C35 | C36 | C37 | H46 | 60.3° | 60.0° |
| C35 | C36 | C41 | H52 | 60.1° | 180.0° |
| C35 | C36 | C41 | H53 | 179.8° | 60.0° |
| C36 | C37 | C38 | H45 | 120.0° | 120.0° |
| C36 | C37 | C38 | H46 | 120.0° | 120.1° |
| C36 | C37 | C38 | C39 | 59.8° | 60.0° |
| C36 | C37 | C38 | C40 | 60.1° | 60.0° |
| C37 | C36 | C41 | H44 | 119.9° | 120.0° |
| C37 | C36 | C41 | C32 | 60.1° | 60.0° |
| C37 | C36 | C35 | H42 | 179.8° | 180.0° |
| C37 | C36 | C35 | H43 | 60.2° | 60.0° |
| C36 | C37 | H45 | H46 | 120.0° | 120.1° |
| C36 | C37 | C38 | H47 | 180.0° | 180.0° |
| C37 | C36 | C41 | H52 | 179.7° | 60.0° |
| C37 | C36 | C41 | H53 | 60.0° | 180.0° |
| C37 | C38 | C39 | C40 | 119.8° | 120.0° |
| C37 | C38 | C39 | H47 | 120.2° | 119.9° |
| C37 | C38 | C39 | C34 | 59.9° | 60.0° |
| C37 | C38 | C40 | H47 | 120.0° | 120.0° |
| C37 | C38 | C40 | C32 | 60.0° | 60.0° |
| C38 | C37 | C36 | C41 | 60.2° | 60.0° |
| C38 | C37 | C36 | H44 | 179.9° | 180.0° |
| C38 | C37 | H45 | H46 | 120.0° | 119.9° |
| C37 | C38 | C39 | H49 | 179.9° | 60.0° |
| C37 | C38 | C39 | H48 | 60.1° | 180.0° |
| C37 | C38 | C40 | H50 | 60.2° | 180.0° |
| C37 | C38 | C40 | H51 | 179.8° | 60.0° |
| C38 | C39 | C34 | H49 | 120.0° | 120.1° |
| C38 | C39 | C34 | H48 | 120.0° | 120.0° |
| C39 | C38 | C40 | H47 | 120.0° | 120.0° |
| C39 | C38 | C40 | C32 | 60.0° | 60.0° |
| C38 | C39 | C34 | H41 | 180.0° | 180.0° |
| C39 | C38 | C37 | H45 | 179.8° | 180.0° |
| C39 | C38 | C37 | H46 | 60.2° | 60.0° |
| C38 | C39 | H49 | H48 | 120.0° | 120.0° |
| C39 | C38 | C40 | H50 | 179.8° | 60.0° |
| C39 | C38 | C40 | H51 | 60.1° | 180.0° |
| C34 | C39 | C38 | C40 | 60.0° | 60.0° |
| C39 | C34 | C33 | H39 | 179.8° | 180.0° |
| C39 | C34 | C33 | H40 | 60.1° | 60.1° |
| C39 | C34 | C35 | H42 | 179.7° | 180.0° |
| C39 | C34 | C35 | H43 | 60.3° | 60.0° |
| C34 | C39 | C38 | H47 | 179.9° | 180.0° |
| C34 | C39 | H49 | H48 | 120.0° | 120.0° |
| C38 | C40 | C32 | H50 | 120.2° | 120.1° |
| C38 | C40 | C32 | H51 | 120.2° | 120.0° |
| C38 | C40 | C32 | C41 | 58.7° | 60.0° |
| C40 | C38 | C37 | H45 | 59.9° | 60.1° |
| C40 | C38 | C37 | H46 | 179.9° | 180.0° |
| C40 | C38 | C39 | H49 | 60.0° | 180.0° |
| C40 | C38 | C39 | H48 | 179.9° | 60.0° |
| C38 | C40 | H50 | H51 | 119.5° | 120.0° |
| C40 | C32 | C41 | C36 | 58.8° | 60.0° |
| C40 | C32 | C31 | H38 | 14.1° | 180.0° |
| C40 | C32 | C31 | H37 | 132.2° | 60.0° |
| C40 | C32 | C33 | H39 | 179.0° | 180.0° |
| C40 | C32 | C33 | H40 | 61.3° | 60.1° |
| C32 | C40 | C38 | H47 | 180.0° | 180.0° |
| C32 | C40 | H50 | H51 | 119.5° | 119.9° |
| C40 | C32 | C41 | H52 | 178.9° | 60.0° |
| C40 | C32 | C41 | H53 | 61.4° | 180.0° |
| C36 | C41 | C32 | H52 | 120.2° | 120.0° |
| C36 | C41 | C32 | H53 | 120.2° | 120.0° |
| C41 | C36 | C35 | H42 | 59.8° | 60.1° |
| C41 | C36 | C35 | H43 | 179.8° | 180.0° |
| C41 | C36 | C37 | H45 | 59.8° | 60.0° |
| C41 | C36 | C37 | H46 | 179.8° | 180.0° |
| C36 | C41 | H52 | H53 | 119.5° | 120.0° |
| C41 | C32 | C31 | H38 | 105.1° | 60.1° |
| C41 | C32 | C31 | H37 | 13.0° | 180.0° |
| C41 | C32 | C33 | H39 | 61.6° | 60.1° |
| C41 | C32 | C33 | H40 | 178.7° | 180.0° |
| C32 | C41 | C36 | H44 | 179.9° | 180.0° |
| C41 | C32 | C40 | H50 | 61.5° | 180.0° |
| C41 | C32 | C40 | H51 | 178.9° | 60.0° |
| C32 | C41 | H52 | H53 | 119.5° | 120.0° |
| N3 | C22 | C23 | H22 | 3.8° | 30.1° |
| N3 | C22 | C23 | H23 | 114.6° | 150.0° |
| N3 | C11 | C10 | H12 | 3.3° | 0.1° |
| H7 | C7 | H8 | H9 | 120.0° | 120.1° |
| H36 | N2 | C29 | H35 | 133.6° | 120.0° |
| H36 | N2 | C29 | H34 | 106.9° | 120.0° |
| H6 | C4 | H4 | H5 | 120.0° | 119.9° |
| H1 | C | H2 | H | 120.0° | 120.0° |
| H13 | C13 | C14 | H14 | 0.4° | 0.0° |
| H17 | C17 | C18 | H18 | 0.1° | 0.0° |
| H18 | C18 | C19 | H19 | 1.0° | 0.1° |
| H19 | C19 | C20 | H20 | 0.5° | 0.1° |
| H20 | C20 | C21 | H21 | 1.0° | 0.2° |
| H22 | C23 | C24 | H25 | 84.1° | 180.0° |
| H22 | C23 | C24 | H24 | 157.1° | 60.0° |
| H23 | C23 | C24 | H25 | 34.3° | 60.0° |
| H23 | C23 | C24 | H24 | 84.5° | 180.0° |
| H25 | C24 | C25 | H27 | 65.7° | 180.0° |
| H25 | C24 | C25 | H26 | 175.1° | 60.1° |
| H24 | C24 | C25 | H27 | 53.1° | 60.0° |
| H24 | C24 | C25 | H26 | 66.1° | 179.9° |
| H27 | C25 | C26 | H28 | 160.0° | 179.9° |
| H27 | C25 | C26 | H29 | 41.1° | 60.1° |
| H26 | C25 | C26 | H28 | 80.8° | 60.0° |
| H26 | C25 | C26 | H29 | 160.3° | 179.9° |
| H28 | C26 | C27 | H31 | 126.8° | NaN° |
| H28 | C26 | C27 | H30 | 114.2° | 60.0° |
| H29 | C26 | C27 | H31 | 7.9° | 60.0° |
| H29 | C26 | C27 | H30 | 126.9° | NaN° |
| H31 | C27 | C28 | H33 | 123.1° | 180.0° |
| H31 | C27 | C28 | H32 | 4.4° | 60.0° |
| H30 | C27 | C28 | H33 | 117.9° | 60.0° |
| H30 | C27 | C28 | H32 | 123.4° | 180.0° |
| H33 | C28 | C29 | H35 | 46.0° | 59.9° |
| H33 | C28 | C29 | H34 | 73.4° | 180.0° |
| H32 | C28 | C29 | H35 | 164.7° | 180.0° |
| H32 | C28 | C29 | H34 | 45.2° | 60.0° |
| H39 | C33 | C34 | H41 | 59.7° | 59.9° |
| H40 | C33 | C34 | H41 | 59.9° | 60.0° |
| H41 | C34 | C35 | H42 | 60.1° | 60.0° |
| H41 | C34 | C35 | H43 | 59.9° | 60.0° |
| H41 | C34 | C39 | H49 | 60.0° | 59.9° |
| H41 | C34 | C39 | H48 | 60.0° | 60.0° |
| H42 | C35 | C36 | H44 | 60.0° | 60.0° |
| H43 | C35 | C36 | H44 | 59.9° | 60.0° |
| H44 | C36 | C37 | H45 | 60.1° | 60.0° |
| H44 | C36 | C37 | H46 | 59.9° | 60.0° |
| H44 | C36 | C41 | H52 | 59.8° | 60.0° |
| H44 | C36 | C41 | H53 | 59.9° | 60.0° |
| H45 | C37 | C38 | H47 | 60.0° | 60.0° |
| H46 | C37 | C38 | H47 | 60.0° | 59.9° |
| H47 | C38 | C39 | H49 | 59.9° | 59.9° |
| H47 | C38 | C39 | H48 | 60.1° | 60.1° |
| H47 | C38 | C40 | H50 | 59.8° | 60.0° |
| H47 | C38 | C40 | H51 | 59.9° | 60.0° |
