9EA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C6 | doub | 1.36Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C19 | sing | 1.41Å | 1.38Å | Aromatic |
| C2 | C7 | doub | 1.36Å | 1.38Å | Aromatic |
| C19 | C9 | doub | 1.40Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.42Å | 1.38Å | Aromatic |
| C7 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | C4 | sing | 1.36Å | 1.38Å | Aromatic |
| C20 | C29 | doub | 1.41Å | 1.39Å | Aromatic |
| C4 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C29 | C14 | sing | 1.37Å | 1.39Å | Aromatic |
| C29 | O57 | sing | 1.36Å | 1.40Å | |
| O57 | C46 | sing | 1.43Å | 1.42Å | |
| C46 | C45 | sing | 1.53Å | 1.51Å | |
| C45 | C42 | sing | 1.53Å | 1.52Å | |
| C42 | C25 | sing | 1.51Å | 1.49Å | |
| C8 | C21 | doub | 1.40Å | 1.38Å | Aromatic |
| C8 | C3 | sing | 1.37Å | 1.38Å | Aromatic |
| C25 | C21 | sing | 1.42Å | 1.42Å | Aromatic |
| C25 | C30 | doub | 1.36Å | 1.38Å | Aromatic |
| O55 | C33 | doub | 1.22Å | 1.34Å | |
| C21 | C26 | sing | 1.41Å | 1.39Å | Aromatic |
| C3 | C10 | doub | 1.39Å | 1.37Å | Aromatic |
| C33 | C30 | sing | 1.47Å | 1.45Å | |
| C33 | O53 | sing | 1.35Å | 1.22Å | |
| C30 | N49 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | N49 | sing | 1.37Å | 1.38Å | Aromatic |
| C26 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | C22 | sing | 1.39Å | 1.37Å | Aromatic |
| N49 | C43 | sing | 1.46Å | 1.46Å | |
| C22 | C23 | sing | 1.48Å | 1.45Å | |
| C11 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C43 | C24 | sing | 1.51Å | 1.50Å | |
| O54 | C34 | doub | 1.21Å | 1.23Å | |
| C24 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | C40 | sing | 1.51Å | 1.50Å | |
| C34 | N52 | sing | 1.35Å | 1.39Å | |
| C36 | C38 | sing | 1.53Å | 1.52Å | |
| C36 | N51 | sing | 1.47Å | 1.46Å | |
| C38 | N52 | sing | 1.47Å | 1.46Å | |
| C23 | C32 | doub | 1.36Å | 1.38Å | Aromatic |
| C23 | C31 | sing | 1.41Å | 1.42Å | Aromatic |
| N52 | C37 | sing | 1.47Å | 1.46Å | |
| C17 | N47 | doub | 1.32Å | 1.34Å | Aromatic |
| C13 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| C39 | C32 | sing | 1.51Å | 1.48Å | |
| C44 | C31 | sing | 1.51Å | 1.47Å | |
| C44 | O56 | sing | 1.43Å | 1.42Å | |
| C32 | N50 | sing | 1.35Å | 1.37Å | Aromatic |
| C18 | N47 | sing | 1.32Å | 1.34Å | Aromatic |
| N51 | C35 | sing | 1.47Å | 1.47Å | |
| N51 | C27 | sing | 1.40Å | 1.44Å | |
| C31 | N48 | doub | 1.31Å | 1.34Å | Aromatic |
| C35 | C37 | sing | 1.53Å | 1.52Å | |
| C27 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | O56 | sing | 1.36Å | 1.40Å | |
| C28 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| N50 | N48 | sing | 1.40Å | 1.34Å | Aromatic |
| N50 | C41 | sing | 1.46Å | 1.45Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C1 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C35 | H19 | sing | 1.09Å | 1.10Å | |
| C35 | H20 | sing | 1.09Å | 1.10Å | |
| C36 | H21 | sing | 1.09Å | 1.10Å | |
| C36 | H22 | sing | 1.09Å | 1.10Å | |
| C37 | H23 | sing | 1.09Å | 1.10Å | |
| C37 | H24 | sing | 1.09Å | 1.10Å | |
| C38 | H25 | sing | 1.09Å | 1.10Å | |
| C38 | H26 | sing | 1.09Å | 1.10Å | |
| C39 | H27 | sing | 1.09Å | 1.10Å | |
| C39 | H28 | sing | 1.09Å | 1.10Å | |
| C39 | H29 | sing | 1.09Å | 1.10Å | |
| C40 | H30 | sing | 1.09Å | 1.10Å | |
| C40 | H31 | sing | 1.09Å | 1.10Å | |
| C40 | H32 | sing | 1.09Å | 1.10Å | |
| C41 | H33 | sing | 1.09Å | 1.10Å | |
| C41 | H34 | sing | 1.09Å | 1.10Å | |
| C41 | H35 | sing | 1.09Å | 1.10Å | |
| C42 | H36 | sing | 1.09Å | 1.10Å | |
| C42 | H37 | sing | 1.09Å | 1.10Å | |
| C43 | H38 | sing | 1.09Å | 1.10Å | |
| C43 | H39 | sing | 1.09Å | 1.10Å | |
| C44 | H40 | sing | 1.09Å | 1.10Å | |
| C44 | H41 | sing | 1.09Å | 1.10Å | |
| C45 | H42 | sing | 1.09Å | 1.10Å | |
| C45 | H43 | sing | 1.09Å | 1.10Å | |
| C46 | H44 | sing | 1.09Å | 1.10Å | |
| C46 | H45 | sing | 1.09Å | 1.10Å | |
| O53 | H46 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C2 | 119.5° | 121.0° |
| C1 | C6 | C19 | 120.5° | 119.6° |
| C1 | C6 | H3 | 119.8° | 120.2° |
| C6 | C1 | H10 | 120.2° | 119.5° |
| C1 | C2 | C7 | 120.2° | 121.0° |
| C2 | C1 | H10 | 120.3° | 119.5° |
| C1 | C2 | H11 | 119.9° | 119.5° |
| C6 | C19 | C9 | 119.4° | 121.3° |
| C6 | C19 | C20 | 120.4° | 119.3° |
| C19 | C6 | H3 | 119.8° | 120.2° |
| C2 | C7 | C20 | 120.7° | 119.7° |
| C2 | C7 | H4 | 119.7° | 120.2° |
| C7 | C2 | H11 | 119.9° | 119.5° |
| C9 | C19 | C20 | 120.2° | 119.4° |
| C19 | C9 | C4 | 119.9° | 119.8° |
| C19 | C9 | H13 | 120.0° | 120.1° |
| C19 | C20 | C7 | 118.8° | 119.4° |
| C19 | C20 | C29 | 119.6° | 119.3° |
| C7 | C20 | C29 | 121.6° | 121.3° |
| C20 | C7 | H4 | 119.6° | 120.1° |
| C9 | C4 | C14 | 120.6° | 121.0° |
| C9 | C4 | H1 | 119.7° | 119.5° |
| C4 | C9 | H13 | 120.0° | 120.1° |
| C20 | C29 | C14 | 120.2° | 119.6° |
| C20 | C29 | O57 | 114.9° | 120.2° |
| C4 | C14 | C29 | 119.4° | 120.9° |
| C14 | C4 | H1 | 119.7° | 119.5° |
| C4 | C14 | H16 | 120.3° | 119.5° |
| C14 | C29 | O57 | 124.9° | 120.2° |
| C29 | C14 | H16 | 120.3° | 119.6° |
| C29 | O57 | C46 | 116.0° | 117.0° |
| O57 | C46 | C45 | 109.5° | 109.5° |
| O57 | C46 | H44 | 109.5° | 109.4° |
| O57 | C46 | H45 | 109.5° | 109.5° |
| C46 | C45 | C42 | 112.2° | 109.5° |
| C46 | C45 | H42 | 108.8° | 109.4° |
| C46 | C45 | H43 | 108.8° | 109.5° |
| C45 | C46 | H44 | 109.4° | 109.5° |
| C45 | C46 | H45 | 109.5° | 109.5° |
| C45 | C42 | C25 | 116.4° | 109.5° |
| C45 | C42 | H36 | 107.7° | 109.5° |
| C45 | C42 | H37 | 107.7° | 109.5° |
| C42 | C45 | H42 | 108.8° | 109.5° |
| C42 | C45 | H43 | 108.8° | 109.5° |
| C42 | C25 | C21 | 125.6° | 126.1° |
| C42 | C25 | C30 | 127.2° | 126.2° |
| C25 | C42 | H36 | 107.7° | 109.4° |
| C25 | C42 | H37 | 107.7° | 109.5° |
| C21 | C8 | C3 | 118.2° | 120.0° |
| C8 | C21 | C25 | 131.1° | 133.3° |
| C8 | C21 | C26 | 119.6° | 119.7° |
| C21 | C8 | H5 | 120.9° | 120.0° |
| C8 | C3 | C10 | 121.8° | 120.8° |
| C3 | C8 | H5 | 120.9° | 120.0° |
| C8 | C3 | H12 | 119.1° | 119.6° |
| C21 | C25 | C30 | 107.2° | 107.7° |
| C25 | C21 | C26 | 109.3° | 106.9° |
| C25 | C30 | C33 | 129.2° | 125.4° |
| C25 | C30 | N49 | 106.4° | 109.1° |
| O55 | C33 | C30 | 113.7° | 120.0° |
| O55 | C33 | O53 | 120.4° | 120.0° |
| C21 | C26 | N49 | 104.5° | 107.5° |
| C21 | C26 | C22 | 122.0° | 119.4° |
| C3 | C10 | C22 | 121.2° | 120.5° |
| C3 | C10 | H6 | 119.4° | 119.8° |
| C10 | C3 | H12 | 119.1° | 119.7° |
| C30 | C33 | O53 | 125.9° | 120.0° |
| C33 | C30 | N49 | 124.4° | 125.5° |
| C33 | O53 | H46 | 109.5° | 117.0° |
| C30 | N49 | C26 | 112.6° | 108.8° |
| C30 | N49 | C43 | 121.6° | 125.6° |
| N49 | C26 | C22 | 133.4° | 133.2° |
| C26 | N49 | C43 | 125.5° | 125.6° |
| C26 | C22 | C10 | 117.1° | 119.6° |
| C26 | C22 | C23 | 125.3° | 120.2° |
| C10 | C22 | C23 | 117.5° | 120.2° |
| C22 | C10 | H6 | 119.4° | 119.7° |
| N49 | C43 | C24 | 110.0° | 109.5° |
| N49 | C43 | H38 | 109.4° | 109.5° |
| N49 | C43 | H39 | 109.4° | 109.4° |
| C22 | C23 | C32 | 127.3° | 126.3° |
| C22 | C23 | C31 | 127.2° | 126.2° |
| C5 | C11 | C24 | 119.5° | 118.4° |
| C11 | C5 | C17 | 118.5° | 119.1° |
| C11 | C5 | H2 | 120.8° | 120.4° |
| C5 | C11 | H14 | 120.2° | 120.8° |
| C11 | C24 | C43 | 123.8° | 120.4° |
| C11 | C24 | C18 | 117.1° | 119.2° |
| C24 | C11 | H14 | 120.2° | 120.8° |
| C5 | C17 | N47 | 123.8° | 120.8° |
| C17 | C5 | H2 | 120.7° | 120.4° |
| C5 | C17 | H9 | 118.1° | 119.6° |
| C43 | C24 | C18 | 119.1° | 120.4° |
| C24 | C43 | H38 | 109.4° | 109.5° |
| C24 | C43 | H39 | 109.3° | 109.5° |
| O54 | C34 | C40 | 120.7° | 120.0° |
| O54 | C34 | N52 | 126.0° | 120.0° |
| C24 | C18 | N47 | 124.8° | 120.8° |
| C24 | C18 | H18 | 117.6° | 119.6° |
| C40 | C34 | N52 | 113.3° | 120.0° |
| C34 | C40 | H30 | 109.5° | 109.5° |
| C34 | C40 | H31 | 109.5° | 109.5° |
| C34 | C40 | H32 | 109.5° | 109.5° |
| C34 | N52 | C38 | 121.8° | 120.8° |
| C34 | N52 | C37 | 118.9° | 120.9° |
| C38 | C36 | N51 | 110.7° | 109.3° |
| C36 | C38 | N52 | 111.8° | 108.5° |
| C38 | C36 | H21 | 109.2° | 109.5° |
| C38 | C36 | H22 | 109.2° | 109.5° |
| C36 | C38 | H25 | 108.9° | 109.6° |
| C36 | C38 | H26 | 108.9° | 109.6° |
| C36 | N51 | C35 | 111.2° | 111.3° |
| C36 | N51 | C27 | 114.5° | 111.0° |
| N51 | C36 | H21 | 109.2° | 109.5° |
| N51 | C36 | H22 | 109.2° | 109.5° |
| C38 | N52 | C37 | 118.6° | 118.3° |
| N52 | C38 | H25 | 108.9° | 109.6° |
| N52 | C38 | H26 | 108.9° | 109.7° |
| C32 | C23 | C31 | 105.5° | 107.5° |
| C23 | C32 | C39 | 133.2° | 126.2° |
| C23 | C32 | N50 | 104.7° | 107.6° |
| C23 | C31 | C44 | 128.7° | 125.9° |
| C23 | C31 | N48 | 111.4° | 108.1° |
| N52 | C37 | C35 | 111.9° | 108.5° |
| N52 | C37 | H23 | 108.9° | 109.6° |
| N52 | C37 | H24 | 108.9° | 109.8° |
| C17 | N47 | C18 | 116.2° | 121.7° |
| N47 | C17 | H9 | 118.1° | 119.7° |
| C16 | C13 | C27 | 122.7° | 119.9° |
| C13 | C16 | C28 | 120.0° | 120.0° |
| C16 | C13 | H7 | 118.7° | 120.0° |
| C13 | C16 | H17 | 120.0° | 120.0° |
| C13 | C27 | N51 | 123.0° | 120.0° |
| C13 | C27 | C12 | 115.9° | 120.0° |
| C27 | C13 | H7 | 118.7° | 120.1° |
| C16 | C28 | O56 | 127.7° | 120.0° |
| C16 | C28 | C15 | 118.4° | 120.0° |
| C28 | C16 | H17 | 120.0° | 120.0° |
| C39 | C32 | N50 | 122.1° | 126.2° |
| C32 | C39 | H27 | 109.5° | 109.4° |
| C32 | C39 | H28 | 109.5° | 109.5° |
| C32 | C39 | H29 | 109.4° | 109.5° |
| C31 | C44 | O56 | 108.8° | 109.4° |
| C44 | C31 | N48 | 120.0° | 126.0° |
| C31 | C44 | H40 | 109.6° | 109.5° |
| C31 | C44 | H41 | 109.6° | 109.5° |
| C44 | O56 | C28 | 116.4° | 117.0° |
| O56 | C44 | H40 | 109.7° | 109.4° |
| O56 | C44 | H41 | 109.6° | 109.5° |
| C32 | N50 | N48 | 114.3° | 108.2° |
| C32 | N50 | C41 | 127.2° | 125.9° |
| N47 | C18 | H18 | 117.6° | 119.6° |
| C35 | N51 | C27 | 113.2° | 111.0° |
| N51 | C35 | C37 | 110.3° | 109.3° |
| N51 | C35 | H19 | 109.2° | 109.5° |
| N51 | C35 | H20 | 109.3° | 109.5° |
| N51 | C27 | C12 | 121.0° | 120.0° |
| C31 | N48 | N50 | 104.1° | 108.5° |
| C37 | C35 | H19 | 109.3° | 109.5° |
| C37 | C35 | H20 | 109.2° | 109.5° |
| C35 | C37 | H23 | 108.8° | 109.6° |
| C35 | C37 | H24 | 108.8° | 109.6° |
| C27 | C12 | C15 | 122.0° | 120.0° |
| C27 | C12 | H15 | 119.0° | 120.0° |
| O56 | C28 | C15 | 113.9° | 120.0° |
| C28 | C15 | C12 | 120.9° | 120.0° |
| C28 | C15 | H8 | 119.6° | 120.0° |
| C12 | C15 | H8 | 119.5° | 120.0° |
| C15 | C12 | H15 | 119.0° | 120.0° |
| N48 | N50 | C41 | 118.4° | 125.9° |
| N50 | C41 | H33 | 109.5° | 109.4° |
| N50 | C41 | H34 | 109.5° | 109.5° |
| N50 | C41 | H35 | 109.5° | 109.5° |
| H19 | C35 | H20 | 109.5° | 109.5° |
| H21 | C36 | H22 | 109.4° | 109.5° |
| H23 | C37 | H24 | 109.5° | 109.7° |
| H25 | C38 | H26 | 109.5° | 109.8° |
| H27 | C39 | H28 | 109.4° | 109.5° |
| H27 | C39 | H29 | 109.5° | 109.5° |
| H28 | C39 | H29 | 109.5° | 109.4° |
| H30 | C40 | H31 | 109.4° | 109.4° |
| H30 | C40 | H32 | 109.5° | 109.5° |
| H31 | C40 | H32 | 109.5° | 109.5° |
| H33 | C41 | H34 | 109.5° | 109.5° |
| H33 | C41 | H35 | 109.5° | 109.5° |
| H34 | C41 | H35 | 109.4° | 109.5° |
| H36 | C42 | H37 | 109.5° | 109.5° |
| H38 | C43 | H39 | 109.4° | 109.4° |
| H40 | C44 | H41 | 109.5° | 109.5° |
| H42 | C45 | H43 | 109.5° | 109.5° |
| H44 | C46 | H45 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C2 | H10 | 180.0° | 180.0° |
| C1 | C6 | C19 | H3 | 180.0° | 180.0° |
| C6 | C1 | C2 | C7 | 0.7° | 0.3° |
| C1 | C6 | C19 | C9 | 179.7° | 180.0° |
| C1 | C6 | C19 | C20 | 0.1° | 0.0° |
| C6 | C1 | C2 | H11 | 179.3° | 180.0° |
| C2 | C1 | C6 | C19 | 0.4° | 0.0° |
| C1 | C2 | C7 | H11 | 180.0° | 179.7° |
| C1 | C2 | C7 | C20 | 0.5° | 0.5° |
| C2 | C1 | C6 | H3 | 179.6° | 180.0° |
| C1 | C2 | C7 | H4 | 179.5° | 179.5° |
| C6 | C19 | C9 | C20 | 179.7° | 179.9° |
| C6 | C19 | C20 | C7 | 0.3° | 0.3° |
| C6 | C19 | C9 | C4 | 179.9° | 179.9° |
| C6 | C19 | C20 | C29 | 179.9° | 179.8° |
| C19 | C6 | C1 | H10 | 179.6° | 180.0° |
| C6 | C19 | C9 | H13 | 0.0° | 0.1° |
| C2 | C7 | C20 | C19 | 0.0° | 0.6° |
| C2 | C7 | C20 | H4 | 180.0° | 179.9° |
| C2 | C7 | C20 | C29 | 179.8° | 180.0° |
| C7 | C2 | C1 | H10 | 179.3° | 179.7° |
| C9 | C19 | C20 | C7 | 180.0° | 179.8° |
| C19 | C9 | C4 | H13 | 180.0° | 180.0° |
| C9 | C19 | C20 | C29 | 0.3° | 0.3° |
| C19 | C9 | C4 | C14 | 0.0° | 0.0° |
| C19 | C9 | C4 | H1 | 180.0° | 179.7° |
| C9 | C19 | C6 | H3 | 0.3° | 0.1° |
| C19 | C20 | C7 | C29 | 179.8° | 179.5° |
| C20 | C19 | C9 | C4 | 0.4° | 0.0° |
| C19 | C20 | C29 | C14 | 0.2° | 0.6° |
| C19 | C20 | C29 | O57 | 179.8° | 180.0° |
| C20 | C19 | C6 | H3 | 179.9° | 180.0° |
| C19 | C20 | C7 | H4 | 180.0° | 179.5° |
| C20 | C19 | C9 | H13 | 179.7° | 180.0° |
| C7 | C20 | C29 | C14 | 179.6° | 180.0° |
| C7 | C20 | C29 | O57 | 0.4° | 0.5° |
| C20 | C7 | C2 | H11 | 179.5° | 179.7° |
| C9 | C4 | C14 | H1 | 180.0° | 179.7° |
| C9 | C4 | C14 | C29 | 0.4° | 0.3° |
| C9 | C4 | C14 | H16 | 179.6° | 179.7° |
| C20 | C29 | C14 | C4 | 0.5° | 0.5° |
| C20 | C29 | C14 | O57 | 180.0° | 179.5° |
| C20 | C29 | O57 | C46 | 175.6° | 180.0° |
| C29 | C20 | C7 | H4 | 0.2° | 0.0° |
| C20 | C29 | C14 | H16 | 179.5° | 179.5° |
| C4 | C14 | C29 | H16 | 180.0° | 180.0° |
| C4 | C14 | C29 | O57 | 179.5° | 180.0° |
| C14 | C4 | C9 | H13 | 180.0° | 180.0° |
| C14 | C29 | O57 | C46 | 4.4° | 0.5° |
| C29 | C14 | C4 | H1 | 179.5° | 180.0° |
| C29 | O57 | C46 | C45 | 174.6° | 180.0° |
| O57 | C29 | C14 | H16 | 0.5° | 0.0° |
| C29 | O57 | C46 | H44 | 54.6° | 60.0° |
| C29 | O57 | C46 | H45 | 65.4° | 60.0° |
| O57 | C46 | C45 | H44 | 120.0° | 119.9° |
| O57 | C46 | C45 | H45 | 120.0° | 120.0° |
| O57 | C46 | C45 | C42 | 64.8° | 180.0° |
| O57 | C46 | C45 | H42 | 55.6° | 60.0° |
| O57 | C46 | C45 | H43 | 174.8° | 60.0° |
| O57 | C46 | H44 | H45 | 120.0° | 120.0° |
| C46 | C45 | C42 | H42 | 120.4° | 119.9° |
| C46 | C45 | C42 | H43 | 120.4° | 120.1° |
| C46 | C45 | C42 | C25 | 70.5° | 180.0° |
| C46 | C45 | C42 | H36 | 50.5° | 60.1° |
| C46 | C45 | C42 | H37 | 168.5° | 60.0° |
| C46 | C45 | H42 | H43 | 118.7° | 120.0° |
| C45 | C46 | H44 | H45 | 120.0° | 120.1° |
| C45 | C42 | C25 | H36 | 121.0° | 120.0° |
| C45 | C42 | C25 | H37 | 121.0° | 120.0° |
| C45 | C42 | C25 | C21 | 98.1° | 90.0° |
| C45 | C42 | C25 | C30 | 85.2° | 90.0° |
| C45 | C42 | H36 | H37 | 116.8° | 120.0° |
| C42 | C45 | H42 | H43 | 118.8° | 120.0° |
| C42 | C45 | C46 | H44 | 175.2° | 60.1° |
| C42 | C45 | C46 | H45 | 55.2° | 60.0° |
| C42 | C25 | C21 | C8 | 1.7° | 0.0° |
| C42 | C25 | C21 | C30 | 177.2° | 180.0° |
| C42 | C25 | C21 | C26 | 177.1° | 180.0° |
| C42 | C25 | C30 | C33 | 1.0° | 0.0° |
| C42 | C25 | C30 | N49 | 177.6° | 180.0° |
| C25 | C42 | H36 | H37 | 116.9° | 120.0° |
| C25 | C42 | C45 | H42 | 169.1° | 60.0° |
| C25 | C42 | C45 | H43 | 49.9° | 59.9° |
| C21 | C8 | C3 | H5 | 180.0° | 179.7° |
| C8 | C21 | C25 | C26 | 178.8° | 179.9° |
| C8 | C21 | C25 | C30 | 179.0° | 180.0° |
| C21 | C8 | C3 | C10 | 1.5° | 0.0° |
| C8 | C21 | C26 | N49 | 179.6° | 180.0° |
| C8 | C21 | C26 | C22 | 1.4° | 0.1° |
| C21 | C8 | C3 | H12 | 178.5° | 180.0° |
| C3 | C8 | C21 | C25 | 179.2° | 180.0° |
| C3 | C8 | C21 | C26 | 2.0° | 0.0° |
| C8 | C3 | C10 | H12 | 180.0° | 179.9° |
| C8 | C3 | C10 | C22 | 0.2° | 0.0° |
| C8 | C3 | C10 | H6 | 179.7° | 180.0° |
| C21 | C25 | C30 | C33 | 178.1° | 180.0° |
| C21 | C25 | C30 | N49 | 0.4° | 0.0° |
| C25 | C21 | C26 | N49 | 0.6° | 0.0° |
| C25 | C21 | C26 | C22 | 179.6° | 180.0° |
| C25 | C21 | C8 | H5 | 0.8° | 0.4° |
| C21 | C25 | C42 | H36 | 22.9° | 150.0° |
| C21 | C25 | C42 | H37 | 140.9° | 30.0° |
| C25 | C30 | C33 | O55 | 45.7° | 0.0° |
| C30 | C25 | C21 | C26 | 0.1° | 0.0° |
| C25 | C30 | C33 | N49 | 178.3° | 179.9° |
| C25 | C30 | C33 | O53 | 133.9° | 180.0° |
| C25 | C30 | N49 | C26 | 0.8° | 0.0° |
| C25 | C30 | N49 | C43 | 172.1° | 179.9° |
| C30 | C25 | C42 | H36 | 153.8° | 30.0° |
| C30 | C25 | C42 | H37 | 35.8° | 150.0° |
| O55 | C33 | C30 | O53 | 179.6° | 180.0° |
| O55 | C33 | C30 | N49 | 136.0° | 179.9° |
| O55 | C33 | O53 | H46 | 0.0° | 0.1° |
| C21 | C26 | N49 | C30 | 0.8° | 0.0° |
| C21 | C26 | N49 | C22 | 178.8° | 179.9° |
| C21 | C26 | C22 | C10 | 0.2° | 0.1° |
| C21 | C26 | N49 | C43 | 171.7° | 180.0° |
| C21 | C26 | C22 | C23 | 177.2° | 180.0° |
| C26 | C21 | C8 | H5 | 177.9° | 179.7° |
| C3 | C10 | C22 | C26 | 0.4° | 0.1° |
| C3 | C10 | C22 | H6 | 180.0° | 180.0° |
| C3 | C10 | C22 | C23 | 176.8° | 180.0° |
| C10 | C3 | C8 | H5 | 178.5° | 179.7° |
| C33 | C30 | N49 | C26 | 177.8° | 179.9° |
| C33 | C30 | N49 | C43 | 9.3° | 0.0° |
| C30 | C33 | O53 | H46 | 179.6° | 179.9° |
| O53 | C33 | C30 | N49 | 44.3° | 0.1° |
| C30 | N49 | C26 | C43 | 172.6° | 179.9° |
| C30 | N49 | C26 | C22 | 179.7° | 179.9° |
| C30 | N49 | C43 | C24 | 98.2° | 80.6° |
| C30 | N49 | C43 | H38 | 141.7° | 159.4° |
| C30 | N49 | C43 | H39 | 21.9° | 39.4° |
| N49 | C26 | C22 | C10 | 178.8° | 180.0° |
| N49 | C26 | C22 | C23 | 4.1° | 0.1° |
| C26 | N49 | C43 | C24 | 73.7° | 99.3° |
| C26 | N49 | C43 | H38 | 46.4° | 20.7° |
| C26 | N49 | C43 | H39 | 166.2° | 140.7° |
| C26 | C22 | C10 | C23 | 177.3° | 179.9° |
| C22 | C26 | N49 | C43 | 7.1° | 0.2° |
| C26 | C22 | C23 | C32 | 113.1° | 106.6° |
| C26 | C22 | C23 | C31 | 69.5° | 73.7° |
| C26 | C22 | C10 | H6 | 179.6° | 179.9° |
| C10 | C22 | C23 | C32 | 69.9° | 73.3° |
| C10 | C22 | C23 | C31 | 107.5° | 106.4° |
| C22 | C10 | C3 | H12 | 179.8° | 179.9° |
| N49 | C43 | C24 | C11 | 18.4° | 71.0° |
| N49 | C43 | C24 | H38 | 120.1° | 120.0° |
| N49 | C43 | C24 | H39 | 120.1° | 120.0° |
| N49 | C43 | C24 | C18 | 161.6° | 109.8° |
| N49 | C43 | H38 | H39 | 119.8° | 119.9° |
| C22 | C23 | C32 | C31 | 177.8° | 179.7° |
| C22 | C23 | C32 | C39 | 1.4° | 0.0° |
| C22 | C23 | C31 | C44 | 0.5° | 0.0° |
| C22 | C23 | C32 | N50 | 179.8° | 180.0° |
| C22 | C23 | C31 | N48 | 179.6° | 180.0° |
| C23 | C22 | C10 | H6 | 3.1° | 0.0° |
| C5 | C11 | C24 | H14 | 180.0° | 179.9° |
| C11 | C5 | C17 | H2 | 180.0° | 179.7° |
| C5 | C11 | C24 | C43 | 180.0° | 179.8° |
| C5 | C11 | C24 | C18 | 0.0° | 0.5° |
| C11 | C5 | C17 | N47 | 0.1° | 0.2° |
| C11 | C5 | C17 | H9 | 179.9° | 179.7° |
| C24 | C11 | C5 | C17 | 0.1° | 0.0° |
| C11 | C24 | C43 | C18 | 180.0° | 179.2° |
| C11 | C24 | C18 | N47 | 0.2° | 0.8° |
| C24 | C11 | C5 | H2 | 179.9° | 179.7° |
| C11 | C24 | C18 | H18 | 179.7° | 180.0° |
| C11 | C24 | C43 | H38 | 138.5° | 49.1° |
| C11 | C24 | C43 | H39 | 101.7° | 169.1° |
| C5 | C17 | N47 | H9 | 180.0° | 180.0° |
| C5 | C17 | N47 | C18 | 0.3° | 0.0° |
| C17 | C5 | C11 | H14 | 179.9° | 180.0° |
| C43 | C24 | C18 | N47 | 179.7° | 180.0° |
| C43 | C24 | C11 | H14 | 0.0° | 0.3° |
| C43 | C24 | C18 | H18 | 0.3° | 0.7° |
| C24 | C43 | H38 | H39 | 119.7° | 120.0° |
| O54 | C34 | C40 | N52 | 178.3° | 180.0° |
| O54 | C34 | N52 | C38 | 143.0° | 5.6° |
| O54 | C34 | N52 | C37 | 46.9° | 174.4° |
| O54 | C34 | C40 | H30 | 0.0° | 176.8° |
| O54 | C34 | C40 | H31 | 120.0° | 63.3° |
| O54 | C34 | C40 | H32 | 120.0° | 56.7° |
| C24 | C18 | N47 | C17 | 0.4° | 0.5° |
| C24 | C18 | N47 | H18 | 180.0° | 179.2° |
| C18 | C24 | C11 | H14 | 180.0° | 179.5° |
| C18 | C24 | C43 | H38 | 41.5° | 130.2° |
| C18 | C24 | C43 | H39 | 78.3° | 10.2° |
| C40 | C34 | N52 | C38 | 38.7° | 174.4° |
| C40 | C34 | N52 | C37 | 131.4° | 5.6° |
| C34 | C40 | H30 | H31 | 120.0° | 120.0° |
| C34 | C40 | H30 | H32 | 120.0° | 120.0° |
| C34 | C40 | H31 | H32 | 120.0° | 120.0° |
| C34 | N52 | C38 | C36 | 147.4° | 128.8° |
| C34 | N52 | C38 | C37 | 170.1° | 180.0° |
| C34 | N52 | C37 | C35 | 146.7° | 128.8° |
| C34 | N52 | C37 | H23 | 93.0° | 9.1° |
| C34 | N52 | C37 | H24 | 26.4° | 111.4° |
| C34 | N52 | C38 | H25 | 92.3° | 111.5° |
| C34 | N52 | C38 | H26 | 27.0° | 9.1° |
| N52 | C34 | C40 | H30 | 178.4° | 3.2° |
| N52 | C34 | C40 | H31 | 58.4° | 116.7° |
| N52 | C34 | C40 | H32 | 61.6° | 123.3° |
| C38 | C36 | N51 | H21 | 120.2° | 119.9° |
| C38 | C36 | N51 | H22 | 120.2° | 120.0° |
| C36 | C38 | N52 | H25 | 120.3° | 119.7° |
| C36 | C38 | N52 | H26 | 120.4° | 119.7° |
| C36 | C38 | N52 | C37 | 42.5° | 51.2° |
| C38 | C36 | N51 | C35 | 60.4° | 63.1° |
| C38 | C36 | N51 | C27 | 169.7° | 172.8° |
| C38 | C36 | H21 | H22 | 119.5° | 120.1° |
| C36 | C38 | H25 | H26 | 118.9° | 120.4° |
| N51 | C36 | C38 | N52 | 49.5° | 53.8° |
| C36 | N51 | C27 | C13 | 17.8° | 180.0° |
| C36 | N51 | C35 | C27 | 130.5° | 124.1° |
| C36 | N51 | C35 | C37 | 60.6° | 63.1° |
| C36 | N51 | C27 | C12 | 163.0° | 0.0° |
| C36 | N51 | C35 | H19 | 59.5° | 176.9° |
| C36 | N51 | C35 | H20 | 179.3° | 56.8° |
| N51 | C36 | H21 | H22 | 119.4° | 120.0° |
| N51 | C36 | C38 | H25 | 70.9° | 65.9° |
| N51 | C36 | C38 | H26 | 169.9° | 173.6° |
| C38 | N52 | C37 | C35 | 42.9° | 51.2° |
| N52 | C38 | C36 | H21 | 70.7° | 66.1° |
| N52 | C38 | C36 | H22 | 169.7° | 173.8° |
| C38 | N52 | C37 | H23 | 77.5° | 170.9° |
| C38 | N52 | C37 | H24 | 163.2° | 68.6° |
| N52 | C38 | H25 | H26 | 119.0° | 120.5° |
| C23 | C32 | C39 | N50 | 178.7° | 180.0° |
| C32 | C23 | C31 | C44 | 178.3° | 179.8° |
| C32 | C23 | C31 | N48 | 1.7° | 0.2° |
| C23 | C32 | N50 | N48 | 1.6° | 0.1° |
| C23 | C32 | N50 | C41 | 178.4° | 180.0° |
| C23 | C32 | C39 | H27 | 90.8° | 96.7° |
| C23 | C32 | C39 | H28 | 149.2° | 143.3° |
| C23 | C32 | C39 | H29 | 29.2° | 23.4° |
| C31 | C23 | C32 | C39 | 179.2° | 179.7° |
| C23 | C31 | C44 | N48 | 180.0° | 180.0° |
| C23 | C31 | C44 | O56 | 125.1° | 90.0° |
| C31 | C23 | C32 | N50 | 1.9° | 0.2° |
| C23 | C31 | N48 | N50 | 0.8° | 0.2° |
| C23 | C31 | C44 | H40 | 115.0° | 150.0° |
| C23 | C31 | C44 | H41 | 5.2° | 30.0° |
| N52 | C37 | C35 | N51 | 50.0° | 53.8° |
| N52 | C37 | C35 | H23 | 120.3° | 119.7° |
| N52 | C37 | C35 | H24 | 120.4° | 119.9° |
| N52 | C37 | C35 | H19 | 70.1° | 173.8° |
| N52 | C37 | C35 | H20 | 170.1° | 66.1° |
| N52 | C37 | H23 | H24 | 118.9° | 120.6° |
| C37 | N52 | C38 | H25 | 77.8° | 68.5° |
| C37 | N52 | C38 | H26 | 162.9° | 170.9° |
| N47 | C17 | C5 | H2 | 179.9° | 179.9° |
| C17 | N47 | C18 | H18 | 179.6° | 179.8° |
| C16 | C13 | C27 | H7 | 180.0° | 179.7° |
| C13 | C16 | C28 | H17 | 180.0° | 180.0° |
| C16 | C13 | C27 | N51 | 179.5° | 180.0° |
| C16 | C13 | C27 | C12 | 1.3° | 0.0° |
| C13 | C16 | C28 | O56 | 179.5° | 180.0° |
| C13 | C16 | C28 | C15 | 0.9° | 0.0° |
| C27 | C13 | C16 | C28 | 0.2° | 0.0° |
| C13 | C27 | N51 | C35 | 146.7° | 55.7° |
| C13 | C27 | N51 | C12 | 179.2° | 180.0° |
| C13 | C27 | C12 | C15 | 1.3° | 0.1° |
| C13 | C27 | C12 | H15 | 178.7° | 180.0° |
| C27 | C13 | C16 | H17 | 179.8° | 180.0° |
| C16 | C28 | O56 | C44 | 1.1° | 0.0° |
| C16 | C28 | O56 | C15 | 179.6° | 180.0° |
| C16 | C28 | C15 | C12 | 0.8° | 0.1° |
| C28 | C16 | C13 | H7 | 179.8° | 179.7° |
| C16 | C28 | C15 | H8 | 179.2° | 180.0° |
| C39 | C32 | N50 | N48 | 179.4° | 179.8° |
| C39 | C32 | N50 | C41 | 0.6° | 0.0° |
| C32 | C39 | H27 | H28 | 120.0° | 120.0° |
| C32 | C39 | H27 | H29 | 120.0° | 120.0° |
| C32 | C39 | H28 | H29 | 120.0° | 120.0° |
| C31 | C44 | O56 | H40 | 119.9° | 120.0° |
| C31 | C44 | O56 | H41 | 119.9° | 120.0° |
| C31 | C44 | O56 | C28 | 177.2° | 180.0° |
| C44 | C31 | N48 | N50 | 179.3° | 179.9° |
| C31 | C44 | H40 | H41 | 120.3° | 120.0° |
| O56 | C44 | C31 | N48 | 54.9° | 90.0° |
| C44 | O56 | C28 | C15 | 178.5° | 180.0° |
| O56 | C44 | H40 | H41 | 120.3° | 120.0° |
| C32 | N50 | N48 | C31 | 0.6° | 0.0° |
| C32 | N50 | N48 | C41 | 180.0° | 179.9° |
| N50 | C32 | C39 | H27 | 90.5° | 83.4° |
| N50 | C32 | C39 | H28 | 29.5° | 36.6° |
| N50 | C32 | C39 | H29 | 149.5° | 156.6° |
| C32 | N50 | C41 | H33 | 180.0° | 90.0° |
| C32 | N50 | C41 | H34 | 60.0° | 150.1° |
| C32 | N50 | C41 | H35 | 60.0° | 30.0° |
| C18 | N47 | C17 | H9 | 179.7° | 180.0° |
| N51 | C35 | C37 | H19 | 120.1° | 120.0° |
| N51 | C35 | C37 | H20 | 120.1° | 119.9° |
| C35 | N51 | C27 | C12 | 34.1° | 124.3° |
| N51 | C35 | H19 | H20 | 119.6° | 120.0° |
| C35 | N51 | C36 | H21 | 59.8° | 56.8° |
| C35 | N51 | C36 | H22 | 179.3° | 176.9° |
| N51 | C35 | C37 | H23 | 70.4° | 173.5° |
| N51 | C35 | C37 | H24 | 170.3° | 66.1° |
| C27 | N51 | C35 | C37 | 168.9° | 172.8° |
| N51 | C27 | C12 | C15 | 179.5° | 180.0° |
| N51 | C27 | C13 | H7 | 0.5° | 0.3° |
| N51 | C27 | C12 | H15 | 0.5° | 0.0° |
| C27 | N51 | C35 | H19 | 71.0° | 52.8° |
| C27 | N51 | C35 | H20 | 48.8° | 67.3° |
| C27 | N51 | C36 | H21 | 70.1° | 67.3° |
| C27 | N51 | C36 | H22 | 49.5° | 52.8° |
| C31 | N48 | N50 | C41 | 179.5° | 179.8° |
| N48 | C31 | C44 | H40 | 65.0° | 30.0° |
| N48 | C31 | C44 | H41 | 174.8° | 150.0° |
| C37 | C35 | H19 | H20 | 119.6° | 120.1° |
| C35 | C37 | H23 | H24 | 118.9° | 120.4° |
| C27 | C12 | C15 | C28 | 0.3° | 0.1° |
| C27 | C12 | C15 | H15 | 180.0° | 180.0° |
| C12 | C27 | C13 | H7 | 178.7° | 179.7° |
| C27 | C12 | C15 | H8 | 179.7° | 180.0° |
| O56 | C28 | C15 | C12 | 179.5° | 180.0° |
| O56 | C28 | C15 | H8 | 0.5° | 0.0° |
| O56 | C28 | C16 | H17 | 0.4° | 0.0° |
| C28 | O56 | C44 | H40 | 62.9° | 60.0° |
| C28 | O56 | C44 | H41 | 57.3° | 60.0° |
| C28 | C15 | C12 | H8 | 180.0° | 179.9° |
| C28 | C15 | C12 | H15 | 179.7° | 179.9° |
| C15 | C28 | C16 | H17 | 179.1° | 180.0° |
| N48 | N50 | C41 | H33 | 0.0° | 90.2° |
| N48 | N50 | C41 | H34 | 120.0° | 29.8° |
| N48 | N50 | C41 | H35 | 120.0° | 149.8° |
| N50 | C41 | H33 | H34 | 120.0° | 120.0° |
| N50 | C41 | H33 | H35 | 120.0° | 120.0° |
| N50 | C41 | H34 | H35 | 120.0° | 120.0° |
| H1 | C4 | C9 | H13 | 0.0° | 0.3° |
| H1 | C4 | C14 | H16 | 0.5° | 0.0° |
| H2 | C5 | C17 | H9 | 0.1° | 0.0° |
| H2 | C5 | C11 | H14 | 0.1° | 0.3° |
| H3 | C6 | C1 | H10 | 0.4° | 0.0° |
| H4 | C7 | C2 | H11 | 0.5° | 0.2° |
| H5 | C8 | C3 | H12 | 1.5° | 0.3° |
| H6 | C10 | C3 | H12 | 0.3° | 0.1° |
| H7 | C13 | C16 | H17 | 0.2° | 0.3° |
| H8 | C15 | C12 | H15 | 0.3° | 0.0° |
| H10 | C1 | C2 | H11 | 0.7° | 0.0° |
| H19 | C35 | C37 | H23 | 169.5° | 66.6° |
| H19 | C35 | C37 | H24 | 50.2° | 53.9° |
| H20 | C35 | C37 | H23 | 49.8° | 53.6° |
| H20 | C35 | C37 | H24 | 69.5° | 174.0° |
| H21 | C36 | C38 | H25 | 168.9° | 174.2° |
| H21 | C36 | C38 | H26 | 49.7° | 53.6° |
| H22 | C36 | C38 | H25 | 49.3° | 54.1° |
| H22 | C36 | C38 | H26 | 69.9° | 66.5° |
| H27 | C39 | H28 | H29 | 120.0° | 120.0° |
| H30 | C40 | H31 | H32 | 120.0° | 120.0° |
| H33 | C41 | H34 | H35 | 120.0° | 120.0° |
| H36 | C42 | C45 | H42 | 69.9° | 180.0° |
| H36 | C42 | C45 | H43 | 170.9° | 60.0° |
| H37 | C42 | C45 | H42 | 48.1° | 60.0° |
| H37 | C42 | C45 | H43 | 71.1° | 180.0° |
| H42 | C45 | C46 | H44 | 64.4° | 180.0° |
| H42 | C45 | C46 | H45 | 175.6° | 60.0° |
| H43 | C45 | C46 | H44 | 54.8° | 60.0° |
| H43 | C45 | C46 | H45 | 65.2° | 180.0° |
