A1EJK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.36Å | 1.35Å | Aromatic |
| C26 | C25 | sing | 1.36Å | 1.34Å | Aromatic |
| C28 | C29 | doub | 1.41Å | 1.40Å | Aromatic |
| C25 | C24 | doub | 1.40Å | 1.40Å | Aromatic |
| C29 | C24 | sing | 1.42Å | 1.41Å | Aromatic |
| C29 | C30 | sing | 1.41Å | 1.41Å | Aromatic |
| C24 | C23 | sing | 1.41Å | 1.39Å | Aromatic |
| C30 | C21 | doub | 1.36Å | 1.37Å | Aromatic |
| C23 | C22 | doub | 1.36Å | 1.36Å | Aromatic |
| C35 | C34 | sing | 1.53Å | 1.49Å | |
| C35 | C36 | sing | 1.53Å | 1.48Å | |
| C21 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.51Å | |
| C34 | C33 | sing | 1.53Å | 1.51Å | |
| C36 | C37 | sing | 1.53Å | 1.51Å | |
| C33 | C32 | sing | 1.53Å | 1.51Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C37 | C32 | sing | 1.53Å | 1.52Å | |
| C32 | N3 | sing | 1.47Å | 1.46Å | |
| N3 | C31 | doub | 1.30Å | 1.27Å | |
| C39 | C38 | sing | 1.53Å | 1.50Å | |
| C39 | C40 | sing | 1.53Å | 1.52Å | |
| C19 | N2 | sing | 1.47Å | 1.45Å | |
| C19 | C18 | sing | 1.51Å | 1.52Å | |
| N2 | C31 | sing | 1.37Å | 1.32Å | |
| C31 | N4 | sing | 1.37Å | 1.33Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| N4 | C38 | sing | 1.47Å | 1.46Å | |
| C38 | C43 | sing | 1.53Å | 1.50Å | |
| C40 | C41 | sing | 1.53Å | 1.48Å | |
| C18 | N1 | sing | 1.35Å | 1.34Å | |
| C18 | O1 | doub | 1.21Å | 1.22Å | |
| N1 | C17 | sing | 1.40Å | 1.41Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C41 | C42 | sing | 1.53Å | 1.48Å | |
| C43 | C42 | sing | 1.53Å | 1.52Å | |
| C17 | C44 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C44 | C45 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C45 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | P1 | sing | 1.82Å | 1.81Å | |
| C14 | C13 | sing | 1.51Å | 1.50Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C9 | P1 | sing | 1.82Å | 1.81Å | |
| P1 | C13 | sing | 1.82Å | 1.83Å | |
| P1 | C5 | sing | 1.82Å | 1.81Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| N4 | H12 | sing | 0.97Å | 1.00Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.09Å | 1.10Å | |
| C6 | H16 | sing | 1.09Å | 1.10Å | |
| C7 | H17 | sing | 1.09Å | 1.10Å | |
| C7 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| C8 | H20 | sing | 1.09Å | 1.10Å | |
| C8 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| C10 | H24 | sing | 1.09Å | 1.10Å | |
| C10 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C11 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C12 | H29 | sing | 1.09Å | 1.10Å | |
| C12 | H30 | sing | 1.09Å | 1.10Å | |
| C13 | H31 | sing | 1.09Å | 1.10Å | |
| C13 | H32 | sing | 1.09Å | 1.10Å | |
| C15 | H33 | sing | 1.08Å | 1.08Å | |
| C16 | H34 | sing | 1.08Å | 1.08Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| C20 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | H38 | sing | 1.08Å | 1.08Å | |
| C23 | H39 | sing | 1.08Å | 1.08Å | |
| C25 | H40 | sing | 1.08Å | 1.08Å | |
| C26 | H41 | sing | 1.08Å | 1.08Å | |
| C27 | H42 | sing | 1.08Å | 1.08Å | |
| C28 | H43 | sing | 1.08Å | 1.08Å | |
| C30 | H44 | sing | 1.08Å | 1.08Å | |
| C32 | H45 | sing | 1.09Å | 1.10Å | |
| C33 | H46 | sing | 1.09Å | 1.10Å | |
| C33 | H47 | sing | 1.09Å | 1.10Å | |
| C34 | H48 | sing | 1.09Å | 1.10Å | |
| C34 | H49 | sing | 1.09Å | 1.10Å | |
| C35 | H50 | sing | 1.09Å | 1.10Å | |
| C35 | H51 | sing | 1.09Å | 1.10Å | |
| C36 | H52 | sing | 1.09Å | 1.10Å | |
| C36 | H53 | sing | 1.09Å | 1.10Å | |
| C37 | H54 | sing | 1.09Å | 1.10Å | |
| C37 | H55 | sing | 1.09Å | 1.10Å | |
| C38 | H56 | sing | 1.09Å | 1.10Å | |
| C39 | H57 | sing | 1.09Å | 1.10Å | |
| C39 | H58 | sing | 1.09Å | 1.10Å | |
| C40 | H59 | sing | 1.09Å | 1.10Å | |
| C40 | H60 | sing | 1.09Å | 1.10Å | |
| C41 | H61 | sing | 1.09Å | 1.10Å | |
| C41 | H62 | sing | 1.09Å | 1.10Å | |
| C42 | H63 | sing | 1.09Å | 1.10Å | |
| C42 | H64 | sing | 1.09Å | 1.10Å | |
| C43 | H65 | sing | 1.09Å | 1.10Å | |
| C43 | H66 | sing | 1.09Å | 1.10Å | |
| C44 | H67 | sing | 1.08Å | 1.08Å | |
| C45 | H68 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C27 | C28 | 121.0° | 121.0° |
| C27 | C26 | C25 | 120.2° | 121.0° |
| C27 | C26 | H41 | 119.9° | 119.5° |
| C26 | C27 | H42 | 119.5° | 119.5° |
| C27 | C28 | C29 | 120.4° | 119.7° |
| C28 | C27 | H42 | 119.5° | 119.5° |
| C27 | C28 | H43 | 119.8° | 120.1° |
| C26 | C25 | C24 | 120.4° | 119.7° |
| C26 | C25 | H40 | 119.8° | 120.2° |
| C25 | C26 | H41 | 119.9° | 119.5° |
| C28 | C29 | C24 | 118.2° | 119.3° |
| C28 | C29 | C30 | 122.7° | 121.2° |
| C29 | C28 | H43 | 119.8° | 120.2° |
| C25 | C24 | C29 | 119.8° | 119.4° |
| C25 | C24 | C23 | 121.8° | 121.3° |
| C24 | C25 | H40 | 119.8° | 120.1° |
| C24 | C29 | C30 | 119.1° | 119.4° |
| C29 | C24 | C23 | 118.4° | 119.3° |
| C29 | C30 | C21 | 121.2° | 119.6° |
| C29 | C30 | H44 | 119.4° | 120.2° |
| C24 | C23 | C22 | 120.9° | 119.7° |
| C24 | C23 | H39 | 119.6° | 120.2° |
| C30 | C21 | C22 | 118.5° | 121.0° |
| C30 | C21 | C20 | 122.9° | 119.5° |
| C21 | C30 | H44 | 119.4° | 120.2° |
| C23 | C22 | C21 | 121.9° | 121.0° |
| C23 | C22 | H38 | 119.1° | 119.5° |
| C22 | C23 | H39 | 119.5° | 120.2° |
| C34 | C35 | C36 | 104.9° | 109.5° |
| C35 | C34 | C33 | 111.0° | 109.5° |
| C35 | C34 | H48 | 109.1° | 109.5° |
| C35 | C34 | H49 | 109.1° | 109.5° |
| C34 | C35 | H50 | 110.6° | 109.4° |
| C34 | C35 | H51 | 110.6° | 109.4° |
| C35 | C36 | C37 | 110.4° | 109.5° |
| C36 | C35 | H50 | 110.6° | 109.6° |
| C36 | C35 | H51 | 110.6° | 109.4° |
| C35 | C36 | H52 | 109.2° | 109.4° |
| C35 | C36 | H53 | 109.2° | 109.5° |
| C22 | C21 | C20 | 118.5° | 119.5° |
| C21 | C22 | H38 | 119.1° | 119.5° |
| C21 | C20 | C19 | 112.2° | 109.5° |
| C21 | C20 | H36 | 108.8° | 109.5° |
| C21 | C20 | H37 | 108.8° | 109.5° |
| C34 | C33 | C32 | 110.8° | 109.5° |
| C34 | C33 | H46 | 109.1° | 109.5° |
| C34 | C33 | H47 | 109.1° | 109.5° |
| C33 | C34 | H48 | 109.1° | 109.5° |
| C33 | C34 | H49 | 109.1° | 109.5° |
| C36 | C37 | C32 | 113.8° | 109.5° |
| C37 | C36 | H52 | 109.2° | 109.5° |
| C37 | C36 | H53 | 109.3° | 109.5° |
| C36 | C37 | H54 | 108.4° | 109.4° |
| C36 | C37 | H55 | 108.4° | 109.5° |
| C33 | C32 | C37 | 109.5° | 109.5° |
| C33 | C32 | N3 | 109.6° | 109.5° |
| C33 | C32 | H45 | 109.5° | 109.5° |
| C32 | C33 | H46 | 109.1° | 109.5° |
| C32 | C33 | H47 | 109.1° | 109.5° |
| C20 | C19 | N2 | 110.7° | 109.5° |
| C20 | C19 | C18 | 112.3° | 109.5° |
| C20 | C19 | H35 | 108.7° | 109.5° |
| C19 | C20 | H36 | 108.8° | 109.4° |
| C19 | C20 | H37 | 108.8° | 109.5° |
| C37 | C32 | N3 | 108.6° | 109.5° |
| C37 | C32 | H45 | 109.4° | 109.5° |
| C32 | C37 | H54 | 108.4° | 109.5° |
| C32 | C37 | H55 | 108.4° | 109.5° |
| C32 | N3 | C31 | 123.9° | 120.0° |
| N3 | C32 | H45 | 110.2° | 109.5° |
| N3 | C31 | N2 | 117.5° | 120.0° |
| N3 | C31 | N4 | 127.5° | 120.0° |
| C38 | C39 | C40 | 111.7° | 109.5° |
| C39 | C38 | N4 | 115.0° | 109.5° |
| C39 | C38 | C43 | 111.7° | 109.5° |
| C39 | C38 | H56 | 104.4° | 109.5° |
| C38 | C39 | H57 | 108.9° | 109.5° |
| C38 | C39 | H58 | 108.9° | 109.5° |
| C39 | C40 | C41 | 111.1° | 109.5° |
| C40 | C39 | H57 | 108.9° | 109.5° |
| C40 | C39 | H58 | 108.9° | 109.5° |
| C39 | C40 | H59 | 109.1° | 109.5° |
| C39 | C40 | H60 | 109.1° | 109.5° |
| N2 | C19 | C18 | 106.6° | 109.4° |
| C19 | N2 | C31 | 125.5° | 120.0° |
| C19 | N2 | H7 | 117.3° | 120.0° |
| N2 | C19 | H35 | 109.8° | 109.5° |
| C19 | C18 | N1 | 116.9° | 120.0° |
| C19 | C18 | O1 | 120.4° | 120.0° |
| C18 | C19 | H35 | 108.7° | 109.4° |
| N2 | C31 | N4 | 114.9° | 120.0° |
| C31 | N2 | H7 | 117.2° | 120.0° |
| C31 | N4 | C38 | 116.2° | 120.0° |
| C31 | N4 | H12 | 121.9° | 120.0° |
| C1 | C2 | C3 | 113.3° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C1 | C2 | H5 | 108.5° | 109.5° |
| C1 | C2 | H6 | 108.5° | 109.5° |
| N4 | C38 | C43 | 115.1° | 109.5° |
| C38 | N4 | H12 | 121.9° | 120.0° |
| N4 | C38 | H56 | 104.8° | 109.5° |
| C38 | C43 | C42 | 111.7° | 109.5° |
| C43 | C38 | H56 | 104.4° | 109.4° |
| C38 | C43 | H65 | 108.9° | 109.5° |
| C38 | C43 | H66 | 108.9° | 109.5° |
| C40 | C41 | C42 | 102.0° | 109.5° |
| C41 | C40 | H59 | 109.1° | 109.5° |
| C41 | C40 | H60 | 109.1° | 109.5° |
| C40 | C41 | H61 | 111.3° | 109.5° |
| C40 | C41 | H62 | 111.3° | 109.5° |
| N1 | C18 | O1 | 122.6° | 120.0° |
| C18 | N1 | C17 | 125.7° | 120.0° |
| C18 | N1 | H4 | 117.2° | 120.0° |
| N1 | C17 | C44 | 121.5° | 120.1° |
| N1 | C17 | C16 | 119.3° | 120.1° |
| C17 | N1 | H4 | 117.1° | 120.0° |
| C2 | C3 | C4 | 111.1° | 109.4° |
| C3 | C2 | H5 | 108.5° | 109.5° |
| C3 | C2 | H6 | 108.5° | 109.5° |
| C2 | C3 | H8 | 109.1° | 109.5° |
| C2 | C3 | H9 | 109.1° | 109.4° |
| C41 | C42 | C43 | 110.0° | 109.5° |
| C42 | C41 | H61 | 111.3° | 109.4° |
| C42 | C41 | H62 | 111.3° | 109.5° |
| C41 | C42 | H63 | 109.4° | 109.5° |
| C41 | C42 | H64 | 109.3° | 109.5° |
| C43 | C42 | H63 | 109.3° | 109.5° |
| C43 | C42 | H64 | 109.3° | 109.5° |
| C42 | C43 | H65 | 108.9° | 109.5° |
| C42 | C43 | H66 | 108.9° | 109.5° |
| C44 | C17 | C16 | 119.2° | 119.8° |
| C17 | C44 | C45 | 120.2° | 119.9° |
| C17 | C44 | H67 | 119.9° | 120.0° |
| C17 | C16 | C15 | 120.2° | 120.0° |
| C17 | C16 | H34 | 119.9° | 120.0° |
| C44 | C45 | C14 | 120.8° | 120.1° |
| C45 | C44 | H67 | 119.9° | 120.1° |
| C44 | C45 | H68 | 119.6° | 119.9° |
| C3 | C4 | P1 | 118.0° | 109.4° |
| C4 | C3 | H8 | 109.0° | 109.5° |
| C4 | C3 | H9 | 109.1° | 109.5° |
| C3 | C4 | H10 | 107.3° | 109.5° |
| C3 | C4 | H11 | 107.3° | 109.5° |
| C16 | C15 | C14 | 120.9° | 120.0° |
| C16 | C15 | H33 | 119.5° | 120.0° |
| C15 | C16 | H34 | 119.9° | 120.0° |
| C45 | C14 | C15 | 118.7° | 120.1° |
| C45 | C14 | C13 | 122.0° | 119.9° |
| C14 | C45 | H68 | 119.6° | 120.0° |
| C15 | C14 | C13 | 119.3° | 119.9° |
| C14 | C15 | H33 | 119.5° | 120.0° |
| C4 | P1 | C9 | 116.0° | 109.4° |
| C4 | P1 | C13 | 107.0° | 109.5° |
| C4 | P1 | C5 | 113.8° | 109.5° |
| P1 | C4 | H10 | 107.3° | 109.4° |
| P1 | C4 | H11 | 107.3° | 109.5° |
| C14 | C13 | P1 | 122.4° | 109.5° |
| C14 | C13 | H31 | 106.1° | 109.5° |
| C14 | C13 | H32 | 106.2° | 109.5° |
| C9 | C10 | C11 | 111.8° | 109.5° |
| C10 | C9 | P1 | 115.2° | 109.5° |
| C10 | C9 | H22 | 108.0° | 109.5° |
| C10 | C9 | H23 | 108.0° | 109.5° |
| C9 | C10 | H24 | 108.9° | 109.5° |
| C9 | C10 | H25 | 108.9° | 109.5° |
| C10 | C11 | C12 | 114.5° | 109.5° |
| C11 | C10 | H24 | 108.9° | 109.5° |
| C11 | C10 | H25 | 108.9° | 109.4° |
| C10 | C11 | H26 | 108.2° | 109.5° |
| C10 | C11 | H27 | 108.2° | 109.4° |
| C9 | P1 | C13 | 103.5° | 109.5° |
| C9 | P1 | C5 | 113.9° | 109.5° |
| P1 | C9 | H22 | 108.0° | 109.5° |
| P1 | C9 | H23 | 108.0° | 109.5° |
| C13 | P1 | C5 | 100.5° | 109.5° |
| P1 | C13 | H31 | 106.1° | 109.5° |
| P1 | C13 | H32 | 106.1° | 109.5° |
| P1 | C5 | C6 | 116.4° | 109.5° |
| P1 | C5 | H13 | 107.7° | 109.5° |
| P1 | C5 | H14 | 107.7° | 109.5° |
| C12 | C11 | H26 | 108.2° | 109.5° |
| C12 | C11 | H27 | 108.2° | 109.4° |
| C11 | C12 | H28 | 109.5° | 109.5° |
| C11 | C12 | H29 | 109.5° | 109.4° |
| C11 | C12 | H30 | 109.4° | 109.5° |
| C8 | C7 | C6 | 112.8° | 109.4° |
| C8 | C7 | H17 | 108.6° | 109.5° |
| C8 | C7 | H18 | 108.7° | 109.5° |
| C7 | C8 | H19 | 109.5° | 109.5° |
| C7 | C8 | H20 | 109.4° | 109.4° |
| C7 | C8 | H21 | 109.5° | 109.5° |
| C7 | C6 | C5 | 115.4° | 109.4° |
| C7 | C6 | H15 | 108.0° | 109.5° |
| C7 | C6 | H16 | 108.0° | 109.5° |
| C6 | C7 | H17 | 108.6° | 109.5° |
| C6 | C7 | H18 | 108.6° | 109.5° |
| C6 | C5 | H13 | 107.7° | 109.5° |
| C6 | C5 | H14 | 107.7° | 109.5° |
| C5 | C6 | H15 | 108.0° | 109.4° |
| C5 | C6 | H16 | 108.0° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C2 | H6 | 109.5° | 109.5° |
| H8 | C3 | H9 | 109.5° | 109.5° |
| H10 | C4 | H11 | 109.5° | 109.5° |
| H13 | C5 | H14 | 109.5° | 109.5° |
| H15 | C6 | H16 | 109.4° | 109.5° |
| H17 | C7 | H18 | 109.5° | 109.5° |
| H19 | C8 | H20 | 109.5° | 109.5° |
| H19 | C8 | H21 | 109.5° | 109.5° |
| H20 | C8 | H21 | 109.5° | 109.5° |
| H22 | C9 | H23 | 109.5° | 109.4° |
| H24 | C10 | H25 | 109.5° | 109.5° |
| H26 | C11 | H27 | 109.5° | 109.5° |
| H28 | C12 | H29 | 109.5° | 109.5° |
| H28 | C12 | H30 | 109.5° | 109.5° |
| H29 | C12 | H30 | 109.5° | 109.5° |
| H31 | C13 | H32 | 109.5° | 109.4° |
| H36 | C20 | H37 | 109.5° | 109.4° |
| H46 | C33 | H47 | 109.4° | 109.5° |
| H48 | C34 | H49 | 109.4° | 109.4° |
| H50 | C35 | H51 | 109.5° | 109.5° |
| H52 | C36 | H53 | 109.5° | 109.5° |
| H54 | C37 | H55 | 109.5° | 109.5° |
| H57 | C39 | H58 | 109.5° | 109.5° |
| H59 | C40 | H60 | 109.5° | 109.4° |
| H61 | C41 | H62 | 109.5° | 109.5° |
| H63 | C42 | H64 | 109.5° | 109.5° |
| H65 | C43 | H66 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C27 | C28 | H42 | 180.0° | 180.0° |
| C27 | C26 | C25 | H41 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 0.3° | 0.0° |
| C27 | C26 | C25 | C24 | 0.5° | 0.1° |
| C27 | C26 | C25 | H40 | 179.5° | 180.0° |
| C26 | C27 | C28 | H43 | 179.7° | 180.0° |
| C28 | C27 | C26 | C25 | 0.1° | 0.0° |
| C27 | C28 | C29 | H43 | 180.0° | 179.9° |
| C27 | C28 | C29 | C24 | 0.3° | 0.0° |
| C27 | C28 | C29 | C30 | 179.4° | 179.7° |
| C28 | C27 | C26 | H41 | 179.9° | 180.0° |
| C26 | C25 | C24 | H40 | 180.0° | 179.9° |
| C26 | C25 | C24 | C29 | 0.5° | 0.1° |
| C26 | C25 | C24 | C23 | 179.4° | 179.9° |
| C25 | C26 | C27 | H42 | 179.9° | 179.9° |
| C28 | C29 | C24 | C25 | 0.2° | 0.1° |
| C28 | C29 | C24 | C30 | 179.7° | 179.7° |
| C28 | C29 | C24 | C23 | 179.8° | 179.9° |
| C28 | C29 | C30 | C21 | 178.6° | 179.8° |
| C29 | C28 | C27 | H42 | 179.7° | 179.9° |
| C28 | C29 | C30 | H44 | 1.4° | 0.0° |
| C25 | C24 | C29 | C23 | 180.0° | 180.0° |
| C25 | C24 | C29 | C30 | 179.8° | 179.8° |
| C25 | C24 | C23 | C22 | 179.9° | 179.9° |
| C25 | C24 | C23 | H39 | 0.1° | 0.0° |
| C24 | C25 | C26 | H41 | 179.5° | 180.0° |
| C24 | C29 | C30 | C21 | 1.1° | 0.6° |
| C29 | C24 | C23 | C22 | 0.2° | 0.0° |
| C29 | C24 | C23 | H39 | 179.8° | 179.9° |
| C29 | C24 | C25 | H40 | 179.5° | 180.0° |
| C24 | C29 | C28 | H43 | 179.7° | 180.0° |
| C24 | C29 | C30 | H44 | 178.9° | 179.7° |
| C30 | C29 | C24 | C23 | 0.1° | 0.3° |
| C29 | C30 | C21 | H44 | 180.0° | 179.8° |
| C29 | C30 | C21 | C22 | 2.5° | 0.5° |
| C29 | C30 | C21 | C20 | 179.5° | 179.8° |
| C30 | C29 | C28 | H43 | 0.6° | 0.3° |
| C24 | C23 | C22 | H39 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 1.7° | 0.1° |
| C24 | C23 | C22 | H38 | 178.3° | 180.0° |
| C23 | C24 | C25 | H40 | 0.6° | 0.0° |
| C30 | C21 | C22 | C23 | 2.9° | 0.2° |
| C30 | C21 | C22 | C20 | 177.1° | 179.7° |
| C30 | C21 | C20 | C19 | 112.5° | 84.5° |
| C30 | C21 | C20 | H36 | 7.9° | 155.6° |
| C30 | C21 | C20 | H37 | 127.1° | 35.5° |
| C30 | C21 | C22 | H38 | 177.2° | 179.7° |
| C23 | C22 | C21 | H38 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 180.0° | 179.9° |
| C34 | C35 | C36 | H50 | 119.3° | 120.0° |
| C34 | C35 | C36 | H51 | 119.2° | 119.9° |
| C35 | C34 | C33 | H48 | 120.2° | 120.0° |
| C35 | C34 | C33 | H49 | 120.2° | 120.0° |
| C34 | C35 | C36 | C37 | 63.3° | 60.0° |
| C35 | C34 | C33 | C32 | 61.6° | 60.0° |
| C35 | C34 | C33 | H46 | 58.6° | 180.0° |
| C35 | C34 | C33 | H47 | 178.1° | 60.0° |
| C35 | C34 | H48 | H49 | 119.3° | 120.0° |
| C34 | C35 | H50 | H51 | 122.1° | 119.9° |
| C34 | C35 | C36 | H52 | 56.8° | 60.0° |
| C34 | C35 | C36 | H53 | 176.5° | 180.0° |
| C36 | C35 | C34 | C33 | 66.8° | 60.0° |
| C35 | C36 | C37 | H52 | 120.1° | 120.0° |
| C35 | C36 | C37 | H53 | 120.1° | 120.0° |
| C35 | C36 | C37 | C32 | 57.1° | 60.0° |
| C36 | C35 | C34 | H48 | 173.0° | 60.0° |
| C36 | C35 | C34 | H49 | 53.4° | 180.0° |
| C36 | C35 | H50 | H51 | 122.1° | 120.0° |
| C35 | C36 | H52 | H53 | 119.6° | 120.0° |
| C35 | C36 | C37 | H54 | 177.8° | 60.0° |
| C35 | C36 | C37 | H55 | 63.5° | 180.0° |
| C22 | C21 | C20 | C19 | 70.6° | 95.8° |
| C22 | C21 | C20 | H36 | 169.0° | 24.1° |
| C22 | C21 | C20 | H37 | 49.8° | 144.1° |
| C21 | C22 | C23 | H39 | 178.3° | 180.0° |
| C22 | C21 | C30 | H44 | 177.5° | 179.7° |
| C21 | C20 | C19 | H36 | 120.4° | 120.0° |
| C21 | C20 | C19 | H37 | 120.4° | 120.1° |
| C21 | C20 | C19 | N2 | 17.8° | 65.9° |
| C21 | C20 | C19 | C18 | 136.8° | 174.1° |
| C21 | C20 | C19 | H35 | 102.9° | 54.2° |
| C21 | C20 | H36 | H37 | 118.8° | 120.0° |
| C20 | C21 | C22 | H38 | 0.0° | 0.0° |
| C20 | C21 | C30 | H44 | 0.5° | 0.0° |
| C34 | C33 | C32 | H46 | 120.2° | 120.0° |
| C34 | C33 | C32 | H47 | 120.2° | 120.0° |
| C34 | C33 | C32 | C37 | 49.5° | 60.0° |
| C34 | C33 | C32 | N3 | 168.6° | 180.0° |
| C34 | C33 | C32 | H45 | 70.4° | 60.0° |
| C34 | C33 | H46 | H47 | 119.4° | 120.0° |
| C33 | C34 | H48 | H49 | 119.3° | 120.0° |
| C33 | C34 | C35 | H50 | 173.9° | 180.0° |
| C33 | C34 | C35 | H51 | 52.4° | 60.0° |
| C36 | C37 | C32 | C33 | 48.3° | 60.0° |
| C36 | C37 | C32 | H54 | 120.6° | 120.0° |
| C36 | C37 | C32 | H55 | 120.6° | 120.0° |
| C36 | C37 | C32 | N3 | 168.0° | 180.0° |
| C36 | C37 | C32 | H45 | 71.7° | 60.0° |
| C37 | C36 | C35 | H50 | 177.4° | 180.0° |
| C37 | C36 | C35 | H51 | 55.9° | 60.0° |
| C37 | C36 | H52 | H53 | 119.6° | 120.0° |
| C36 | C37 | H54 | H55 | 118.0° | 119.9° |
| C33 | C32 | C37 | N3 | 119.7° | 120.0° |
| C33 | C32 | C37 | H45 | 120.0° | 120.0° |
| C33 | C32 | N3 | H45 | 120.5° | 120.0° |
| C33 | C32 | N3 | C31 | 53.4° | 126.6° |
| C32 | C33 | H46 | H47 | 119.4° | 120.0° |
| C32 | C33 | C34 | H48 | 178.1° | 60.0° |
| C32 | C33 | C34 | H49 | 58.6° | 180.0° |
| C33 | C32 | C37 | H54 | 169.0° | 60.0° |
| C33 | C32 | C37 | H55 | 72.3° | 180.0° |
| C20 | C19 | N2 | C18 | 122.4° | 120.0° |
| C20 | C19 | N2 | H35 | 120.0° | 120.0° |
| C20 | C19 | C18 | H35 | 120.4° | 120.0° |
| C20 | C19 | N2 | C31 | 113.9° | 152.2° |
| C20 | C19 | C18 | N1 | 51.0° | 60.0° |
| C20 | C19 | C18 | O1 | 130.8° | 120.0° |
| C20 | C19 | N2 | H7 | 66.1° | 27.7° |
| C19 | C20 | H36 | H37 | 118.7° | 120.0° |
| C37 | C32 | N3 | H45 | 119.8° | 120.0° |
| C37 | C32 | N3 | C31 | 173.0° | 113.4° |
| C37 | C32 | C33 | H46 | 70.7° | 180.0° |
| C37 | C32 | C33 | H47 | 169.7° | 60.0° |
| C32 | C37 | C36 | H52 | 63.0° | 60.0° |
| C32 | C37 | C36 | H53 | 177.3° | 180.0° |
| C32 | C37 | H54 | H55 | 118.1° | 120.1° |
| C32 | N3 | C31 | N2 | 160.0° | 174.1° |
| C32 | N3 | C31 | N4 | 20.0° | 6.0° |
| N3 | C32 | C33 | H46 | 48.4° | 60.0° |
| N3 | C32 | C33 | H47 | 71.2° | 60.0° |
| N3 | C32 | C37 | H54 | 71.4° | 60.0° |
| N3 | C32 | C37 | H55 | 47.4° | 60.0° |
| N3 | C31 | N2 | C19 | 18.4° | 3.9° |
| N3 | C31 | N2 | N4 | 180.0° | 179.9° |
| N3 | C31 | N4 | C38 | 172.7° | 174.7° |
| N3 | C31 | N2 | H7 | 161.6° | 176.2° |
| N3 | C31 | N4 | H12 | 7.3° | 5.3° |
| C31 | N3 | C32 | H45 | 67.2° | 6.7° |
| C38 | C39 | C40 | H57 | 120.3° | 120.0° |
| C38 | C39 | C40 | H58 | 120.3° | 120.0° |
| C39 | C38 | N4 | C31 | 122.3° | 87.4° |
| C39 | C38 | N4 | C43 | 131.9° | 120.0° |
| C39 | C38 | N4 | H56 | 114.0° | 120.0° |
| C39 | C38 | C43 | H56 | 112.2° | 120.0° |
| C38 | C39 | C40 | C41 | 58.5° | 60.0° |
| C39 | C38 | C43 | C42 | 45.8° | 60.0° |
| C39 | C38 | N4 | H12 | 57.7° | 92.6° |
| C38 | C39 | H57 | H58 | 119.0° | 120.0° |
| C38 | C39 | C40 | H59 | 178.8° | 60.0° |
| C38 | C39 | C40 | H60 | 61.7° | 180.0° |
| C39 | C38 | C43 | H65 | 166.1° | 60.0° |
| C39 | C38 | C43 | H66 | 74.6° | 179.9° |
| C40 | C39 | C38 | N4 | 89.0° | 180.0° |
| C40 | C39 | C38 | C43 | 44.5° | 60.0° |
| C39 | C40 | C41 | H59 | 120.2° | 120.0° |
| C39 | C40 | C41 | H60 | 120.3° | 120.0° |
| C39 | C40 | C41 | C42 | 68.7° | 60.0° |
| C40 | C39 | C38 | H56 | 156.8° | 60.0° |
| C40 | C39 | H57 | H58 | 119.0° | 120.0° |
| C39 | C40 | H59 | H60 | 119.3° | 120.0° |
| C39 | C40 | C41 | H61 | 50.0° | 180.0° |
| C39 | C40 | C41 | H62 | 172.5° | 60.0° |
| N2 | C19 | C18 | H35 | 118.3° | 120.0° |
| C19 | N2 | C31 | H7 | 180.0° | 179.9° |
| C19 | N2 | C31 | N4 | 161.6° | 176.2° |
| N2 | C19 | C18 | N1 | 172.3° | 180.0° |
| N2 | C19 | C18 | O1 | 9.4° | 0.0° |
| N2 | C19 | C20 | H36 | 138.2° | 54.1° |
| N2 | C19 | C20 | H37 | 102.7° | 174.1° |
| C18 | C19 | N2 | C31 | 123.7° | 87.8° |
| C19 | C18 | N1 | O1 | 178.2° | 180.0° |
| C19 | C18 | N1 | C17 | 165.8° | 175.1° |
| C19 | C18 | N1 | H4 | 14.2° | 4.9° |
| C18 | C19 | N2 | H7 | 56.2° | 92.3° |
| C18 | C19 | C20 | H36 | 102.8° | 65.9° |
| C18 | C19 | C20 | H37 | 16.3° | 54.1° |
| N2 | C31 | N4 | C38 | 7.3° | 5.4° |
| N2 | C31 | N4 | H12 | 172.7° | 174.6° |
| C31 | N2 | C19 | H35 | 6.1° | 32.1° |
| C31 | N4 | C38 | H12 | 180.0° | 180.0° |
| C31 | N4 | C38 | C43 | 105.8° | 152.6° |
| N4 | C31 | N2 | H7 | 18.4° | 3.7° |
| C31 | N4 | C38 | H56 | 8.3° | 32.7° |
| C1 | C2 | C3 | H5 | 120.6° | 120.0° |
| C1 | C2 | C3 | H6 | 120.6° | 120.0° |
| C1 | C2 | C3 | C4 | 158.3° | 180.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H5 | H6 | 118.2° | 120.0° |
| C1 | C2 | C3 | H8 | 81.4° | 60.0° |
| C1 | C2 | C3 | H9 | 38.1° | 60.0° |
| N4 | C38 | C43 | H56 | 114.4° | 120.0° |
| N4 | C38 | C43 | C42 | 87.6° | 180.0° |
| N4 | C38 | C39 | H57 | 150.7° | 60.0° |
| N4 | C38 | C39 | H58 | 31.4° | 60.0° |
| N4 | C38 | C43 | H65 | 32.7° | 60.0° |
| N4 | C38 | C43 | H66 | 152.0° | 60.0° |
| C38 | C43 | C42 | C41 | 60.7° | 60.0° |
| C38 | C43 | C42 | H65 | 120.3° | 120.0° |
| C38 | C43 | C42 | H66 | 120.3° | 120.0° |
| C43 | C38 | N4 | H12 | 74.2° | 27.4° |
| C43 | C38 | C39 | H57 | 75.8° | 180.0° |
| C43 | C38 | C39 | H58 | 164.8° | 60.0° |
| C38 | C43 | C42 | H63 | 179.2° | 60.0° |
| C38 | C43 | C42 | H64 | 59.4° | 180.0° |
| C38 | C43 | H65 | H66 | 119.0° | 120.0° |
| C40 | C41 | C42 | H61 | 118.8° | 120.0° |
| C40 | C41 | C42 | H62 | 118.8° | 120.0° |
| C40 | C41 | C42 | C43 | 69.4° | 60.0° |
| C41 | C40 | C39 | H57 | 61.8° | 180.0° |
| C41 | C40 | C39 | H58 | 178.8° | 60.0° |
| C41 | C40 | H59 | H60 | 119.3° | 120.0° |
| C40 | C41 | H61 | H62 | 123.5° | 120.0° |
| C40 | C41 | C42 | H63 | 170.5° | 60.0° |
| C40 | C41 | C42 | H64 | 50.7° | 180.0° |
| C18 | N1 | C17 | H4 | 180.0° | 180.0° |
| C18 | N1 | C17 | C44 | 66.1° | 33.2° |
| C18 | N1 | C17 | C16 | 112.5° | 146.8° |
| N1 | C18 | C19 | H35 | 69.4° | 60.0° |
| O1 | C18 | N1 | C17 | 12.3° | 5.0° |
| O1 | C18 | N1 | H4 | 167.6° | 175.1° |
| O1 | C18 | C19 | H35 | 108.9° | 120.0° |
| N1 | C17 | C44 | C16 | 178.6° | 180.0° |
| N1 | C17 | C44 | C45 | 179.8° | 179.7° |
| N1 | C17 | C16 | C15 | 179.4° | 180.0° |
| N1 | C17 | C16 | H34 | 0.6° | 0.0° |
| N1 | C17 | C44 | H67 | 0.2° | 0.0° |
| C2 | C3 | C4 | H8 | 120.3° | 120.0° |
| C2 | C3 | C4 | H9 | 120.2° | 119.9° |
| C2 | C3 | C4 | P1 | 169.0° | 180.0° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H2 | 60.0° | 180.0° |
| C3 | C2 | C1 | H3 | 60.0° | 60.0° |
| C3 | C2 | H5 | H6 | 118.3° | 120.0° |
| C2 | C3 | H8 | H9 | 119.3° | 120.0° |
| C2 | C3 | C4 | H10 | 69.8° | 60.0° |
| C2 | C3 | C4 | H11 | 47.8° | 60.0° |
| C41 | C42 | C43 | H63 | 120.1° | 120.0° |
| C41 | C42 | C43 | H64 | 120.1° | 120.0° |
| C42 | C41 | C40 | H59 | 171.0° | 60.0° |
| C42 | C41 | C40 | H60 | 51.5° | 180.0° |
| C42 | C41 | H61 | H62 | 123.5° | 120.0° |
| C41 | C42 | H63 | H64 | 119.8° | 120.0° |
| C41 | C42 | C43 | H65 | 179.0° | 60.0° |
| C41 | C42 | C43 | H66 | 59.6° | 180.0° |
| C42 | C43 | C38 | H56 | 158.0° | 60.0° |
| C43 | C42 | C41 | H61 | 49.3° | 180.0° |
| C43 | C42 | C41 | H62 | 171.8° | 60.0° |
| C43 | C42 | H63 | H64 | 119.7° | 120.0° |
| C42 | C43 | H65 | H66 | 119.0° | 120.0° |
| C17 | C44 | C45 | H67 | 180.0° | 179.8° |
| C44 | C17 | C16 | C15 | 0.7° | 0.0° |
| C17 | C44 | C45 | C14 | 0.5° | 0.6° |
| C44 | C17 | N1 | H4 | 113.8° | 146.8° |
| C44 | C17 | C16 | H34 | 179.3° | 180.0° |
| C17 | C44 | C45 | H68 | 179.6° | 180.0° |
| C16 | C17 | C44 | C45 | 1.2° | 0.3° |
| C17 | C16 | C15 | H34 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.5° | 0.0° |
| C16 | C17 | N1 | H4 | 67.5° | 33.3° |
| C17 | C16 | C15 | H33 | 179.5° | 180.0° |
| C16 | C17 | C44 | H67 | 178.8° | 180.0° |
| C44 | C45 | C14 | H68 | 180.0° | 179.4° |
| C44 | C45 | C14 | C15 | 0.7° | 0.6° |
| C44 | C45 | C14 | C13 | 178.6° | 179.7° |
| C3 | C4 | P1 | H10 | 121.2° | 120.0° |
| C3 | C4 | P1 | H11 | 121.3° | 120.0° |
| C3 | C4 | P1 | C9 | 28.4° | 60.0° |
| C3 | C4 | P1 | C13 | 86.5° | 180.0° |
| C3 | C4 | P1 | C5 | 163.4° | 60.0° |
| C4 | C3 | C2 | H5 | 37.8° | 60.0° |
| C4 | C3 | C2 | H6 | 81.1° | 60.0° |
| C4 | C3 | H8 | H9 | 119.2° | 120.1° |
| C3 | C4 | H10 | H11 | 116.1° | 120.1° |
| C16 | C15 | C14 | C45 | 1.2° | 0.3° |
| C16 | C15 | C14 | H33 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 179.1° | 180.0° |
| C45 | C14 | C15 | C13 | 178.0° | 179.7° |
| C45 | C14 | C13 | P1 | 92.8° | 90.3° |
| C45 | C14 | C13 | H31 | 29.0° | 149.7° |
| C45 | C14 | C13 | H32 | 145.4° | 29.8° |
| C45 | C14 | C15 | H33 | 178.8° | 179.7° |
| C14 | C45 | C44 | H67 | 179.5° | 179.7° |
| C15 | C14 | C13 | P1 | 89.3° | 90.0° |
| C15 | C14 | C13 | H31 | 148.9° | 30.0° |
| C15 | C14 | C13 | H32 | 32.5° | 150.0° |
| C14 | C15 | C16 | H34 | 179.5° | 180.0° |
| C15 | C14 | C45 | H68 | 179.3° | 180.0° |
| C4 | P1 | C13 | C14 | 37.5° | 180.0° |
| C4 | P1 | C9 | C10 | 61.4° | 60.0° |
| C4 | P1 | C9 | C13 | 116.8° | 120.0° |
| C4 | P1 | C9 | C5 | 135.0° | 120.0° |
| C4 | P1 | C13 | C5 | 119.1° | 120.0° |
| C4 | P1 | C5 | C6 | 49.3° | 60.0° |
| P1 | C4 | C3 | H8 | 48.7° | 60.0° |
| P1 | C4 | C3 | H9 | 70.8° | 60.1° |
| P1 | C4 | H10 | H11 | 116.1° | 120.0° |
| C4 | P1 | C5 | H13 | 71.7° | 60.0° |
| C4 | P1 | C5 | H14 | 170.3° | 180.0° |
| C4 | P1 | C9 | H22 | 177.8° | 180.0° |
| C4 | P1 | C9 | H23 | 59.5° | 60.1° |
| C4 | P1 | C13 | H31 | 159.3° | 60.0° |
| C4 | P1 | C13 | H32 | 84.3° | 60.0° |
| C14 | C13 | P1 | C9 | 85.5° | 60.0° |
| C14 | C13 | P1 | H31 | 121.8° | 120.0° |
| C14 | C13 | P1 | H32 | 121.8° | 120.0° |
| C14 | C13 | P1 | C5 | 156.6° | 60.0° |
| C14 | C13 | H31 | H32 | 114.2° | 120.0° |
| C13 | C14 | C15 | H33 | 0.8° | 0.0° |
| C13 | C14 | C45 | H68 | 1.4° | 0.3° |
| C9 | C10 | C11 | H24 | 120.4° | 120.0° |
| C9 | C10 | C11 | H25 | 120.3° | 120.0° |
| C10 | C9 | P1 | H22 | 120.8° | 120.0° |
| C10 | C9 | P1 | H23 | 120.8° | 120.0° |
| C10 | C9 | P1 | C13 | 178.2° | 60.0° |
| C10 | C9 | P1 | C5 | 73.7° | 180.0° |
| C9 | C10 | C11 | C12 | 90.0° | 180.0° |
| C10 | C9 | H22 | H23 | 117.4° | 120.0° |
| C9 | C10 | H24 | H25 | 118.9° | 120.0° |
| C9 | C10 | C11 | H26 | 149.3° | 60.0° |
| C9 | C10 | C11 | H27 | 30.8° | 60.0° |
| C11 | C10 | C9 | P1 | 51.9° | 180.0° |
| C10 | C11 | C12 | H26 | 120.7° | 120.1° |
| C10 | C11 | C12 | H27 | 120.7° | 119.9° |
| C11 | C10 | C9 | H22 | 68.9° | 60.0° |
| C11 | C10 | C9 | H23 | 172.8° | 60.0° |
| C11 | C10 | H24 | H25 | 119.0° | 120.0° |
| C10 | C11 | H26 | H27 | 117.7° | 120.0° |
| C10 | C11 | C12 | H28 | 180.0° | 59.9° |
| C10 | C11 | C12 | H29 | 60.0° | 60.0° |
| C10 | C11 | C12 | H30 | 60.0° | 180.0° |
| C9 | P1 | C13 | C5 | 117.9° | 120.0° |
| C9 | P1 | C5 | C6 | 174.6° | 180.0° |
| C9 | P1 | C4 | H10 | 149.6° | 179.9° |
| C9 | P1 | C4 | H11 | 92.9° | 60.0° |
| C9 | P1 | C5 | H13 | 64.4° | 60.0° |
| C9 | P1 | C5 | H14 | 53.6° | 60.0° |
| P1 | C9 | H22 | H23 | 117.4° | 120.0° |
| P1 | C9 | C10 | H24 | 68.4° | 60.0° |
| P1 | C9 | C10 | H25 | 172.3° | 60.0° |
| C9 | P1 | C13 | H31 | 36.3° | 60.0° |
| C9 | P1 | C13 | H32 | 152.7° | 179.9° |
| C13 | P1 | C5 | C6 | 64.6° | 60.0° |
| C13 | P1 | C4 | H10 | 34.7° | 60.0° |
| C13 | P1 | C4 | H11 | 152.2° | 60.0° |
| C13 | P1 | C5 | H13 | 174.4° | 180.0° |
| C13 | P1 | C5 | H14 | 56.4° | 60.0° |
| C13 | P1 | C9 | H22 | 61.0° | 60.0° |
| C13 | P1 | C9 | H23 | 57.3° | 180.0° |
| P1 | C13 | H31 | H32 | 114.1° | 120.0° |
| P1 | C5 | C6 | C7 | 45.0° | 180.0° |
| P1 | C5 | C6 | H13 | 121.0° | 120.0° |
| P1 | C5 | C6 | H14 | 121.0° | 120.0° |
| C5 | P1 | C4 | H10 | 75.4° | 60.0° |
| C5 | P1 | C4 | H11 | 42.2° | 180.0° |
| P1 | C5 | H13 | H14 | 116.8° | 120.0° |
| P1 | C5 | C6 | H15 | 75.9° | 60.0° |
| P1 | C5 | C6 | H16 | 165.8° | 60.0° |
| C5 | P1 | C9 | H22 | 47.2° | 60.0° |
| C5 | P1 | C9 | H23 | 165.5° | 60.0° |
| C5 | P1 | C13 | H31 | 81.6° | 180.0° |
| C5 | P1 | C13 | H32 | 34.8° | 60.0° |
| C12 | C11 | C10 | H24 | 30.4° | 60.0° |
| C12 | C11 | C10 | H25 | 149.7° | 60.1° |
| C12 | C11 | H26 | H27 | 117.7° | 120.0° |
| C11 | C12 | H28 | H29 | 120.0° | 120.0° |
| C11 | C12 | H28 | H30 | 120.0° | 120.0° |
| C11 | C12 | H29 | H30 | 120.0° | 120.0° |
| C8 | C7 | C6 | H17 | 120.5° | 120.0° |
| C8 | C7 | C6 | H18 | 120.5° | 120.0° |
| C8 | C7 | C6 | C5 | 173.5° | 180.0° |
| C8 | C7 | C6 | H15 | 52.6° | 60.0° |
| C8 | C7 | C6 | H16 | 65.6° | 60.0° |
| C8 | C7 | H17 | H18 | 118.5° | 120.1° |
| C7 | C8 | H19 | H20 | 120.0° | 120.0° |
| C7 | C8 | H19 | H21 | 120.0° | 120.0° |
| C7 | C8 | H20 | H21 | 120.0° | 120.0° |
| C7 | C6 | C5 | H15 | 120.9° | 120.0° |
| C7 | C6 | C5 | H16 | 120.9° | 120.1° |
| C7 | C6 | C5 | H13 | 76.1° | 60.0° |
| C7 | C6 | C5 | H14 | 165.9° | 60.0° |
| C7 | C6 | H15 | H16 | 117.3° | 120.1° |
| C6 | C7 | H17 | H18 | 118.5° | 120.0° |
| C6 | C7 | C8 | H19 | 180.0° | 60.0° |
| C6 | C7 | C8 | H20 | 60.0° | 180.0° |
| C6 | C7 | C8 | H21 | 60.0° | 60.0° |
| C6 | C5 | H13 | H14 | 116.9° | 120.0° |
| C5 | C6 | H15 | H16 | 117.3° | 120.0° |
| C5 | C6 | C7 | H17 | 66.0° | 60.1° |
| C5 | C6 | C7 | H18 | 53.0° | 60.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H5 | 59.5° | 180.0° |
| H1 | C1 | C2 | H6 | 59.4° | 60.0° |
| H2 | C1 | C2 | H5 | 60.6° | 60.0° |
| H2 | C1 | C2 | H6 | 179.4° | 60.0° |
| H3 | C1 | C2 | H5 | 179.4° | 60.0° |
| H3 | C1 | C2 | H6 | 60.6° | 180.0° |
| H5 | C2 | C3 | H8 | 158.0° | 180.0° |
| H5 | C2 | C3 | H9 | 82.5° | 60.0° |
| H6 | C2 | C3 | H8 | 39.1° | 60.0° |
| H6 | C2 | C3 | H9 | 158.7° | 180.0° |
| H7 | N2 | C19 | H35 | 173.8° | 147.8° |
| H8 | C3 | C4 | H10 | 169.9° | 60.0° |
| H8 | C3 | C4 | H11 | 72.5° | 180.0° |
| H9 | C3 | C4 | H10 | 50.5° | 180.0° |
| H9 | C3 | C4 | H11 | 168.0° | 59.9° |
| H12 | N4 | C38 | H56 | 171.7° | 147.3° |
| H13 | C5 | C6 | H15 | 163.1° | 180.0° |
| H13 | C5 | C6 | H16 | 44.8° | 60.0° |
| H14 | C5 | C6 | H15 | 45.1° | 60.0° |
| H14 | C5 | C6 | H16 | 73.2° | 180.0° |
| H15 | C6 | C7 | H17 | 173.1° | 180.0° |
| H15 | C6 | C7 | H18 | 67.9° | 60.0° |
| H16 | C6 | C7 | H17 | 54.9° | 60.0° |
| H16 | C6 | C7 | H18 | 173.9° | 180.0° |
| H17 | C7 | C8 | H19 | 59.5° | 60.0° |
| H17 | C7 | C8 | H20 | 60.5° | 60.0° |
| H17 | C7 | C8 | H21 | 179.5° | NaN° |
| H18 | C7 | C8 | H19 | 59.5° | 180.0° |
| H18 | C7 | C8 | H20 | 179.5° | 60.0° |
| H18 | C7 | C8 | H21 | 60.5° | 60.0° |
| H19 | C8 | H20 | H21 | 120.0° | 120.0° |
| H22 | C9 | C10 | H24 | 170.7° | 180.0° |
| H22 | C9 | C10 | H25 | 51.4° | 60.0° |
| H23 | C9 | C10 | H24 | 52.4° | 60.0° |
| H23 | C9 | C10 | H25 | 66.9° | 180.0° |
| H24 | C10 | C11 | H26 | 90.4° | 180.0° |
| H24 | C10 | C11 | H27 | 151.1° | 60.0° |
| H25 | C10 | C11 | H26 | 28.9° | 60.0° |
| H25 | C10 | C11 | H27 | 89.6° | NaN° |
| H26 | C11 | C12 | H28 | 59.3° | 180.0° |
| H26 | C11 | C12 | H29 | 179.3° | 60.0° |
| H26 | C11 | C12 | H30 | 60.7° | 59.9° |
| H27 | C11 | C12 | H28 | 59.3° | 60.0° |
| H27 | C11 | C12 | H29 | 60.8° | 180.0° |
| H27 | C11 | C12 | H30 | 179.2° | 60.0° |
| H28 | C12 | H29 | H30 | 120.0° | 120.0° |
| H33 | C15 | C16 | H34 | 0.5° | 0.0° |
| H35 | C19 | C20 | H36 | 17.5° | 174.1° |
| H35 | C19 | C20 | H37 | 136.7° | 65.9° |
| H38 | C22 | C23 | H39 | 1.7° | 0.1° |
| H40 | C25 | C26 | H41 | 0.5° | 0.1° |
| H41 | C26 | C27 | H42 | 0.1° | 0.0° |
| H42 | C27 | C28 | H43 | 0.3° | 0.0° |
| H45 | C32 | C33 | H46 | 169.4° | 60.0° |
| H45 | C32 | C33 | H47 | 49.8° | 180.0° |
| H45 | C32 | C37 | H54 | 49.0° | 180.0° |
| H45 | C32 | C37 | H55 | 167.7° | 60.0° |
| H46 | C33 | C34 | H48 | 61.6° | 60.0° |
| H46 | C33 | C34 | H49 | 178.8° | 60.0° |
| H47 | C33 | C34 | H48 | 57.9° | 180.0° |
| H47 | C33 | C34 | H49 | 61.6° | 60.0° |
| H48 | C34 | C35 | H50 | 53.7° | 60.0° |
| H48 | C34 | C35 | H51 | 67.8° | 180.0° |
| H49 | C34 | C35 | H50 | 65.8° | 59.9° |
| H49 | C34 | C35 | H51 | 172.7° | 60.1° |
| H50 | C35 | C36 | H52 | 62.5° | 60.0° |
| H50 | C35 | C36 | H53 | 57.2° | 60.0° |
| H51 | C35 | C36 | H52 | 176.0° | 180.0° |
| H51 | C35 | C36 | H53 | 64.2° | 60.0° |
| H52 | C36 | C37 | H54 | 57.6° | 180.0° |
| H52 | C36 | C37 | H55 | 176.4° | 60.1° |
| H53 | C36 | C37 | H54 | 62.1° | 60.0° |
| H53 | C36 | C37 | H55 | 56.6° | 60.0° |
| H56 | C38 | C39 | H57 | 36.4° | 60.0° |
| H56 | C38 | C39 | H58 | 82.9° | 180.0° |
| H56 | C38 | C43 | H65 | 81.6° | 180.0° |
| H56 | C38 | C43 | H66 | 37.7° | 60.0° |
| H57 | C39 | C40 | H59 | 58.4° | 60.0° |
| H57 | C39 | C40 | H60 | 178.0° | 59.9° |
| H58 | C39 | C40 | H59 | 60.9° | 180.0° |
| H58 | C39 | C40 | H60 | 58.6° | 60.0° |
| H59 | C40 | C41 | H61 | 70.2° | 60.0° |
| H59 | C40 | C41 | H62 | 52.3° | 180.0° |
| H60 | C40 | C41 | H61 | 170.3° | 60.0° |
| H60 | C40 | C41 | H62 | 67.3° | 60.0° |
| H61 | C41 | C42 | H63 | 70.7° | 60.0° |
| H61 | C41 | C42 | H64 | 169.4° | 60.0° |
| H62 | C41 | C42 | H63 | 51.7° | 180.0° |
| H62 | C41 | C42 | H64 | 68.1° | 60.0° |
| H63 | C42 | C43 | H65 | 58.9° | 180.0° |
| H63 | C42 | C43 | H66 | 60.5° | 60.0° |
| H64 | C42 | C43 | H65 | 60.9° | 60.0° |
| H64 | C42 | C43 | H66 | 179.7° | 60.0° |
| H67 | C44 | C45 | H68 | 0.5° | 0.3° |
