GMW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | C12 | sing | 1.43Å | 1.45Å | |
| O13 | C14 | sing | 1.43Å | 1.43Å | |
| C12 | C11 | sing | 1.53Å | 1.55Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C11 | N9 | sing | 1.47Å | 1.50Å | |
| C15 | N9 | sing | 1.47Å | 1.52Å | |
| N9 | C8 | sing | 1.35Å | 1.38Å | |
| C8 | O10 | doub | 1.21Å | 1.21Å | |
| C8 | C3 | sing | 1.48Å | 1.51Å | |
| C2 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.37Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.41Å | Aromatic |
| C1 | C6 | doub | 1.39Å | 1.45Å | Aromatic |
| C4 | N5 | doub | 1.32Å | 1.36Å | Aromatic |
| C6 | N5 | sing | 1.33Å | 1.31Å | Aromatic |
| C6 | N7 | sing | 1.38Å | 1.38Å | |
| N7 | C26 | sing | 1.40Å | 1.45Å | |
| O28 | C25 | doub | 1.22Å | 1.24Å | |
| C26 | C25 | sing | 1.41Å | 1.45Å | |
| C26 | C27 | doub | 1.37Å | 1.37Å | |
| C25 | N24 | sing | 1.35Å | 1.41Å | |
| C27 | C22 | sing | 1.41Å | 1.45Å | |
| N24 | C49 | sing | 1.47Å | 1.48Å | |
| N24 | C23 | sing | 1.36Å | 1.36Å | |
| C22 | C23 | doub | 1.36Å | 1.36Å | |
| C22 | C16 | sing | 1.48Å | 1.48Å | |
| C17 | C16 | doub | 1.39Å | 1.37Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.36Å | Aromatic |
| C23 | C40 | sing | 1.51Å | 1.54Å | |
| C16 | C21 | sing | 1.39Å | 1.42Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C41 | sing | 1.50Å | 1.52Å | |
| C21 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C41 | C42 | sing | 1.53Å | 1.54Å | |
| C40 | C42 | sing | 1.52Å | 1.57Å | |
| C19 | C20 | sing | 1.39Å | 1.37Å | Aromatic |
| C20 | N29 | sing | 1.40Å | 1.44Å | |
| C42 | O48 | sing | 1.43Å | 1.39Å | |
| N32 | N29 | sing | 1.39Å | 1.42Å | |
| N32 | C31 | doub | 1.30Å | 1.31Å | |
| N29 | C30 | sing | 1.35Å | 1.39Å | |
| C31 | C34 | sing | 1.46Å | 1.45Å | |
| C30 | O33 | doub | 1.22Å | 1.22Å | |
| C30 | C35 | sing | 1.47Å | 1.46Å | |
| C34 | C35 | doub | 1.41Å | 1.41Å | Aromatic |
| C34 | C39 | sing | 1.40Å | 1.42Å | Aromatic |
| C35 | C36 | sing | 1.40Å | 1.40Å | Aromatic |
| C39 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
| C36 | F43 | sing | 1.35Å | 1.36Å | |
| C36 | C37 | doub | 1.38Å | 1.34Å | Aromatic |
| C38 | C37 | sing | 1.39Å | 1.37Å | Aromatic |
| C38 | C44 | sing | 1.51Å | 1.50Å | |
| C47 | C44 | sing | 1.53Å | 1.51Å | |
| C44 | C46 | sing | 1.53Å | 1.53Å | |
| C44 | C45 | sing | 1.53Å | 1.54Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C27 | H10 | sing | 1.08Å | 1.08Å | |
| N7 | H11 | sing | 0.97Å | 1.00Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C31 | H17 | sing | 1.08Å | 1.08Å | |
| C37 | H18 | sing | 1.08Å | 1.08Å | |
| C39 | H19 | sing | 1.08Å | 1.08Å | |
| C40 | H20 | sing | 1.09Å | 1.10Å | |
| C40 | H21 | sing | 1.09Å | 1.10Å | |
| C41 | H22 | sing | 1.09Å | 1.10Å | |
| C41 | H23 | sing | 1.09Å | 1.10Å | |
| C42 | H24 | sing | 1.09Å | 1.10Å | |
| C45 | H25 | sing | 1.09Å | 1.10Å | |
| C45 | H26 | sing | 1.09Å | 1.10Å | |
| C45 | H27 | sing | 1.09Å | 1.10Å | |
| C46 | H28 | sing | 1.09Å | 1.10Å | |
| C46 | H29 | sing | 1.09Å | 1.10Å | |
| C46 | H30 | sing | 1.09Å | 1.10Å | |
| C47 | H31 | sing | 1.09Å | 1.10Å | |
| C47 | H32 | sing | 1.09Å | 1.10Å | |
| C47 | H33 | sing | 1.09Å | 1.10Å | |
| O48 | H34 | sing | 0.97Å | 0.95Å | |
| C49 | H35 | sing | 1.09Å | 1.10Å | |
| C49 | H36 | sing | 1.09Å | 1.10Å | |
| C49 | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | O13 | C14 | 108.5° | 114.2° |
| O13 | C12 | C11 | 111.6° | 109.2° |
| O13 | C12 | H4 | 108.9° | 109.5° |
| O13 | C12 | H5 | 108.9° | 109.5° |
| O13 | C14 | C15 | 108.7° | 109.2° |
| O13 | C14 | H14 | 109.7° | 109.6° |
| O13 | C14 | H15 | 109.7° | 109.5° |
| C12 | C11 | N9 | 110.5° | 108.4° |
| C11 | C12 | H4 | 108.9° | 109.5° |
| C11 | C12 | H5 | 108.9° | 109.5° |
| C12 | C11 | H12 | 109.2° | 109.6° |
| C12 | C11 | H13 | 109.2° | 109.6° |
| C14 | C15 | N9 | 114.5° | 108.4° |
| C14 | C15 | H6 | 108.2° | 109.7° |
| C14 | C15 | H7 | 108.2° | 109.7° |
| C15 | C14 | H14 | 109.7° | 109.5° |
| C15 | C14 | H15 | 109.7° | 109.5° |
| C11 | N9 | C15 | 115.9° | 118.1° |
| C11 | N9 | C8 | 121.4° | 121.0° |
| N9 | C11 | H12 | 109.2° | 109.7° |
| N9 | C11 | H13 | 109.3° | 109.7° |
| C15 | N9 | C8 | 122.7° | 121.0° |
| N9 | C15 | H6 | 108.2° | 109.7° |
| N9 | C15 | H7 | 108.2° | 109.6° |
| N9 | C8 | O10 | 122.4° | 120.0° |
| N9 | C8 | C3 | 121.2° | 119.9° |
| O10 | C8 | C3 | 116.4° | 120.0° |
| C8 | C3 | C2 | 123.5° | 120.5° |
| C8 | C3 | C4 | 117.6° | 120.4° |
| C3 | C2 | C1 | 122.6° | 118.5° |
| C2 | C3 | C4 | 118.9° | 119.1° |
| C3 | C2 | H2 | 118.7° | 120.8° |
| C2 | C1 | C6 | 114.5° | 119.4° |
| C2 | C1 | H1 | 122.8° | 120.3° |
| C1 | C2 | H2 | 118.7° | 120.7° |
| C3 | C4 | N5 | 119.2° | 120.5° |
| C3 | C4 | H3 | 120.4° | 119.8° |
| C1 | C6 | N5 | 123.6° | 120.9° |
| C1 | C6 | N7 | 111.7° | 119.6° |
| C6 | C1 | H1 | 122.7° | 120.3° |
| C4 | N5 | C6 | 121.1° | 121.6° |
| N5 | C4 | H3 | 120.4° | 119.7° |
| N5 | C6 | N7 | 124.7° | 119.5° |
| C6 | N7 | C26 | 126.5° | 120.0° |
| C6 | N7 | H11 | 116.7° | 120.0° |
| N7 | C26 | C25 | 108.6° | 120.5° |
| N7 | C26 | C27 | 125.9° | 120.4° |
| C26 | N7 | H11 | 116.7° | 120.0° |
| O28 | C25 | C26 | 126.7° | 119.8° |
| O28 | C25 | N24 | 118.5° | 119.8° |
| C25 | C26 | C27 | 125.4° | 119.2° |
| C26 | C25 | N24 | 114.8° | 120.4° |
| C26 | C27 | C22 | 115.5° | 118.9° |
| C26 | C27 | H10 | 122.2° | 120.5° |
| C25 | N24 | C49 | 116.7° | 119.5° |
| C25 | N24 | C23 | 120.6° | 120.9° |
| C27 | C22 | C23 | 119.5° | 120.3° |
| C27 | C22 | C16 | 116.8° | 120.8° |
| C22 | C27 | H10 | 122.2° | 120.6° |
| C49 | N24 | C23 | 122.7° | 119.6° |
| N24 | C49 | H35 | 109.5° | 109.5° |
| N24 | C49 | H36 | 109.4° | 109.5° |
| N24 | C49 | H37 | 109.5° | 109.4° |
| N24 | C23 | C22 | 123.8° | 120.3° |
| N24 | C23 | C40 | 117.8° | 120.3° |
| C23 | C22 | C16 | 123.7° | 118.9° |
| C22 | C23 | C40 | 118.4° | 119.4° |
| C22 | C16 | C17 | 119.4° | 121.0° |
| C22 | C16 | C21 | 118.6° | 118.8° |
| C16 | C17 | C18 | 121.5° | 119.7° |
| C17 | C16 | C21 | 122.1° | 120.2° |
| C16 | C17 | H8 | 119.3° | 120.2° |
| C17 | C18 | C19 | 119.2° | 120.3° |
| C18 | C17 | H8 | 119.2° | 120.2° |
| C17 | C18 | H9 | 120.4° | 119.8° |
| C23 | C40 | C42 | 112.4° | 111.2° |
| C23 | C40 | H20 | 108.8° | 109.1° |
| C23 | C40 | H21 | 108.8° | 109.1° |
| C16 | C21 | C41 | 121.3° | 119.4° |
| C16 | C21 | C20 | 113.6° | 119.8° |
| C18 | C19 | C20 | 118.7° | 120.3° |
| C19 | C18 | H9 | 120.4° | 119.9° |
| C18 | C19 | H16 | 120.7° | 119.9° |
| C41 | C21 | C20 | 124.8° | 120.8° |
| C21 | C41 | C42 | 118.0° | 110.8° |
| C21 | C41 | H22 | 107.3° | 109.2° |
| C21 | C41 | H23 | 107.3° | 109.2° |
| C21 | C20 | C19 | 124.7° | 119.7° |
| C21 | C20 | N29 | 117.0° | 120.1° |
| C41 | C42 | C40 | 108.3° | 110.7° |
| C41 | C42 | O48 | 106.8° | 109.2° |
| C42 | C41 | H22 | 107.3° | 109.2° |
| C42 | C41 | H23 | 107.3° | 109.2° |
| C41 | C42 | H24 | 111.0° | 109.2° |
| C40 | C42 | O48 | 106.5° | 109.3° |
| C42 | C40 | H20 | 108.7° | 109.1° |
| C42 | C40 | H21 | 108.8° | 109.1° |
| C40 | C42 | H24 | 110.6° | 109.3° |
| C19 | C20 | N29 | 118.1° | 120.1° |
| C20 | C19 | H16 | 120.7° | 119.8° |
| C20 | N29 | N32 | 116.1° | 119.1° |
| C20 | N29 | C30 | 120.2° | 119.1° |
| O48 | C42 | H24 | 113.3° | 109.2° |
| C42 | O48 | H34 | 109.5° | 114.0° |
| N29 | N32 | C31 | 122.8° | 122.6° |
| N32 | N29 | C30 | 122.8° | 121.8° |
| N32 | C31 | C34 | 118.4° | 120.0° |
| N32 | C31 | H17 | 120.8° | 120.0° |
| N29 | C30 | O33 | 118.5° | 120.6° |
| N29 | C30 | C35 | 114.8° | 118.8° |
| C31 | C34 | C35 | 119.8° | 118.6° |
| C31 | C34 | C39 | 117.1° | 121.9° |
| C34 | C31 | H17 | 120.8° | 120.0° |
| O33 | C30 | C35 | 126.7° | 120.6° |
| C30 | C35 | C34 | 121.1° | 118.2° |
| C30 | C35 | C36 | 125.1° | 122.0° |
| C35 | C34 | C39 | 123.1° | 119.6° |
| C34 | C35 | C36 | 113.8° | 119.8° |
| C34 | C39 | C38 | 116.9° | 119.7° |
| C34 | C39 | H19 | 121.5° | 120.2° |
| C35 | C36 | F43 | 116.4° | 120.3° |
| C35 | C36 | C37 | 125.5° | 119.5° |
| C39 | C38 | C37 | 121.1° | 120.8° |
| C39 | C38 | C44 | 119.3° | 119.7° |
| C38 | C39 | H19 | 121.6° | 120.1° |
| F43 | C36 | C37 | 118.1° | 120.3° |
| C36 | C37 | C38 | 119.5° | 120.7° |
| C36 | C37 | H18 | 120.3° | 119.6° |
| C37 | C38 | C44 | 119.4° | 119.6° |
| C38 | C37 | H18 | 120.2° | 119.7° |
| C38 | C44 | C47 | 114.2° | 109.4° |
| C38 | C44 | C46 | 107.7° | 109.5° |
| C38 | C44 | C45 | 111.6° | 109.5° |
| C47 | C44 | C46 | 109.3° | 109.4° |
| C47 | C44 | C45 | 100.1° | 109.4° |
| C44 | C47 | H31 | 109.5° | 109.5° |
| C44 | C47 | H32 | 109.5° | 109.5° |
| C44 | C47 | H33 | 109.4° | 109.5° |
| C46 | C44 | C45 | 113.9° | 109.5° |
| C44 | C46 | H28 | 109.5° | 109.5° |
| C44 | C46 | H29 | 109.4° | 109.5° |
| C44 | C46 | H30 | 109.5° | 109.4° |
| C44 | C45 | H25 | 109.5° | 109.4° |
| C44 | C45 | H26 | 109.5° | 109.5° |
| C44 | C45 | H27 | 109.5° | 109.5° |
| H4 | C12 | H5 | 109.5° | 109.6° |
| H6 | C15 | H7 | 109.5° | 109.7° |
| H12 | C11 | H13 | 109.4° | 109.7° |
| H14 | C14 | H15 | 109.5° | 109.6° |
| H20 | C40 | H21 | 109.5° | 109.1° |
| H22 | C41 | H23 | 109.5° | 109.2° |
| H25 | C45 | H26 | 109.5° | 109.5° |
| H25 | C45 | H27 | 109.5° | 109.5° |
| H26 | C45 | H27 | 109.4° | 109.5° |
| H28 | C46 | H29 | 109.5° | 109.5° |
| H28 | C46 | H30 | 109.4° | 109.5° |
| H29 | C46 | H30 | 109.5° | 109.5° |
| H31 | C47 | H32 | 109.5° | 109.5° |
| H31 | C47 | H33 | 109.5° | 109.5° |
| H32 | C47 | H33 | 109.5° | 109.5° |
| H35 | C49 | H36 | 109.5° | 109.5° |
| H35 | C49 | H37 | 109.4° | 109.5° |
| H36 | C49 | H37 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C12 | C11 | H4 | 120.3° | 119.9° |
| O13 | C12 | C11 | H5 | 120.3° | 119.9° |
| C12 | O13 | C14 | C15 | 66.0° | 62.6° |
| O13 | C12 | C11 | N9 | 52.4° | 52.3° |
| O13 | C12 | H4 | H5 | 119.0° | 120.1° |
| O13 | C12 | C11 | H12 | 67.7° | 67.4° |
| O13 | C12 | C11 | H13 | 172.6° | 172.0° |
| C12 | O13 | C14 | H14 | 53.9° | 177.4° |
| C12 | O13 | C14 | H15 | 174.2° | 57.3° |
| C14 | O13 | C12 | C11 | 69.5° | 62.6° |
| O13 | C14 | C15 | H14 | 119.9° | 120.0° |
| O13 | C14 | C15 | H15 | 119.9° | 119.9° |
| O13 | C14 | C15 | N9 | 49.9° | 52.3° |
| C14 | O13 | C12 | H4 | 170.1° | 57.3° |
| C14 | O13 | C12 | H5 | 50.8° | 177.5° |
| O13 | C14 | C15 | H6 | 170.7° | 67.4° |
| O13 | C14 | C15 | H7 | 70.8° | 172.0° |
| O13 | C14 | H14 | H15 | 120.4° | 120.1° |
| C12 | C11 | N9 | H12 | 120.2° | 119.7° |
| C12 | C11 | N9 | H13 | 120.1° | 119.7° |
| C12 | C11 | N9 | C15 | 36.1° | 50.5° |
| C12 | C11 | N9 | C8 | 145.7° | 129.5° |
| C11 | C12 | H4 | H5 | 119.0° | 120.2° |
| C12 | C11 | H12 | H13 | 119.5° | 120.5° |
| C14 | C15 | N9 | C11 | 36.2° | 50.5° |
| C14 | C15 | N9 | H6 | 120.8° | 119.8° |
| C14 | C15 | N9 | H7 | 120.7° | 119.8° |
| C14 | C15 | N9 | C8 | 145.6° | 129.4° |
| C14 | C15 | H6 | H7 | 117.8° | 120.6° |
| C15 | C14 | H14 | H15 | 120.4° | 120.1° |
| C11 | N9 | C15 | C8 | 178.2° | 179.9° |
| C11 | N9 | C8 | O10 | 3.6° | 174.0° |
| C11 | N9 | C8 | C3 | 179.6° | 6.1° |
| N9 | C11 | C12 | H4 | 172.7° | 67.6° |
| N9 | C11 | C12 | H5 | 67.9° | 172.2° |
| C11 | N9 | C15 | H6 | 157.0° | 69.2° |
| C11 | N9 | C15 | H7 | 84.5° | 170.3° |
| N9 | C11 | H12 | H13 | 119.6° | 120.6° |
| C15 | N9 | C8 | O10 | 178.4° | 6.0° |
| C15 | N9 | C8 | C3 | 1.5° | 174.0° |
| N9 | C15 | H6 | H7 | 117.7° | 120.5° |
| C15 | N9 | C11 | H12 | 84.0° | 69.2° |
| C15 | N9 | C11 | H13 | 156.3° | 170.2° |
| N9 | C15 | C14 | H14 | 69.9° | 172.2° |
| N9 | C15 | C14 | H15 | 169.8° | 67.6° |
| N9 | C8 | O10 | C3 | 177.0° | 179.9° |
| N9 | C8 | C3 | C2 | 50.1° | 36.7° |
| N9 | C8 | C3 | C4 | 131.2° | 143.3° |
| C8 | N9 | C15 | H6 | 24.8° | 110.8° |
| C8 | N9 | C15 | H7 | 93.7° | 9.7° |
| C8 | N9 | C11 | H12 | 94.2° | 110.9° |
| C8 | N9 | C11 | H13 | 25.5° | 9.7° |
| O10 | C8 | C3 | C2 | 132.8° | 143.3° |
| O10 | C8 | C3 | C4 | 45.9° | 36.7° |
| C8 | C3 | C2 | C4 | 178.7° | 180.0° |
| C8 | C3 | C2 | C1 | 178.5° | 180.0° |
| C8 | C3 | C4 | N5 | 179.7° | 179.9° |
| C8 | C3 | C2 | H2 | 1.4° | 0.0° |
| C8 | C3 | C4 | H3 | 0.4° | 0.1° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 2.0° | 0.1° |
| C2 | C3 | C4 | N5 | 1.6° | 0.1° |
| C3 | C2 | C1 | H1 | 178.0° | 179.8° |
| C2 | C3 | C4 | H3 | 178.4° | 179.9° |
| C1 | C2 | C3 | C4 | 2.8° | 0.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C2 | C1 | C6 | N5 | 0.1° | 0.0° |
| C2 | C1 | C6 | N7 | 179.3° | 179.8° |
| C3 | C4 | N5 | H3 | 180.0° | 179.9° |
| C3 | C4 | N5 | C6 | 0.2° | 0.2° |
| C4 | C3 | C2 | H2 | 177.2° | 180.0° |
| C1 | C6 | N5 | C4 | 1.0° | 0.1° |
| C1 | C6 | N5 | N7 | 179.3° | 179.8° |
| C1 | C6 | N7 | C26 | 175.7° | 6.8° |
| C6 | C1 | C2 | H2 | 178.0° | 180.0° |
| C1 | C6 | N7 | H11 | 4.3° | 173.2° |
| C4 | N5 | C6 | N7 | 179.7° | 179.7° |
| N5 | C6 | N7 | C26 | 3.7° | 173.4° |
| N5 | C6 | C1 | H1 | 179.9° | 179.8° |
| C6 | N5 | C4 | H3 | 179.8° | 180.0° |
| N5 | C6 | N7 | H11 | 176.3° | 6.6° |
| C6 | N7 | C26 | H11 | 180.0° | 180.0° |
| C6 | N7 | C26 | C25 | 175.2° | 60.2° |
| C6 | N7 | C26 | C27 | 8.6° | 119.9° |
| N7 | C6 | C1 | H1 | 0.7° | 0.0° |
| N7 | C26 | C25 | O28 | 1.4° | 0.7° |
| N7 | C26 | C25 | C27 | 176.2° | 179.9° |
| N7 | C26 | C25 | N24 | 178.4° | 179.4° |
| N7 | C26 | C27 | C22 | 179.0° | 180.0° |
| N7 | C26 | C27 | H10 | 1.0° | 0.1° |
| O28 | C25 | C26 | N24 | 179.8° | 180.0° |
| O28 | C25 | C26 | C27 | 177.7° | 179.2° |
| O28 | C25 | N24 | C49 | 3.7° | 0.1° |
| O28 | C25 | N24 | C23 | 177.4° | 179.9° |
| C25 | C26 | C27 | C22 | 3.4° | 0.1° |
| C26 | C25 | N24 | C49 | 176.1° | 180.0° |
| C26 | C25 | N24 | C23 | 2.8° | 0.0° |
| C25 | C26 | C27 | H10 | 176.6° | 180.0° |
| C25 | C26 | N7 | H11 | 4.8° | 119.8° |
| C27 | C26 | C25 | N24 | 2.1° | 0.7° |
| C26 | C27 | C22 | H10 | 180.0° | 179.9° |
| C26 | C27 | C22 | C23 | 0.1° | 1.3° |
| C26 | C27 | C22 | C16 | 179.2° | 177.2° |
| C27 | C26 | N7 | H11 | 171.4° | 60.1° |
| C25 | N24 | C49 | C23 | 178.8° | 180.0° |
| C25 | N24 | C23 | C22 | 6.5° | 1.4° |
| C25 | N24 | C23 | C40 | 173.5° | 178.5° |
| C25 | N24 | C49 | H35 | 180.0° | 0.0° |
| C25 | N24 | C49 | H36 | 60.0° | 120.1° |
| C25 | N24 | C49 | H37 | 60.0° | 120.0° |
| C27 | C22 | C23 | N24 | 5.0° | 2.1° |
| C27 | C22 | C23 | C16 | 179.1° | 178.6° |
| C27 | C22 | C16 | C17 | 42.9° | 51.4° |
| C27 | C22 | C23 | C40 | 175.0° | 177.8° |
| C27 | C22 | C16 | C21 | 137.0° | 129.8° |
| C49 | N24 | C23 | C22 | 172.3° | 178.6° |
| C49 | N24 | C23 | C40 | 7.7° | 1.5° |
| N24 | C49 | H35 | H36 | 120.0° | 120.0° |
| N24 | C49 | H35 | H37 | 120.0° | 120.0° |
| N24 | C49 | H36 | H37 | 120.0° | 119.9° |
| N24 | C23 | C22 | C40 | 180.0° | 179.9° |
| N24 | C23 | C22 | C16 | 175.9° | 176.5° |
| N24 | C23 | C40 | C42 | 101.2° | 102.0° |
| N24 | C23 | C40 | H20 | 19.3° | 137.5° |
| N24 | C23 | C40 | H21 | 138.4° | 18.4° |
| C23 | N24 | C49 | H35 | 1.2° | 180.0° |
| C23 | N24 | C49 | H36 | 118.8° | 59.9° |
| C23 | N24 | C49 | H37 | 121.2° | 60.0° |
| C23 | C22 | C16 | C17 | 136.2° | 130.0° |
| C23 | C22 | C16 | C21 | 43.9° | 48.8° |
| C22 | C23 | C40 | C42 | 78.8° | 78.1° |
| C23 | C22 | C27 | H10 | 179.9° | 178.6° |
| C22 | C23 | C40 | H20 | 160.7° | 42.4° |
| C22 | C23 | C40 | H21 | 41.6° | 161.5° |
| C22 | C16 | C17 | C21 | 180.0° | 178.7° |
| C22 | C16 | C17 | C18 | 177.2° | 178.1° |
| C16 | C22 | C23 | C40 | 4.1° | 3.6° |
| C22 | C16 | C21 | C41 | 4.4° | 2.8° |
| C22 | C16 | C21 | C20 | 178.9° | 177.7° |
| C22 | C16 | C17 | H8 | 2.8° | 2.0° |
| C16 | C22 | C27 | H10 | 0.8° | 2.8° |
| C16 | C17 | C18 | H8 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 5.1° | 0.0° |
| C17 | C16 | C21 | C41 | 175.6° | 178.5° |
| C17 | C16 | C21 | C20 | 1.1° | 1.0° |
| C16 | C17 | C18 | H9 | 174.9° | 180.0° |
| C18 | C17 | C16 | C21 | 2.8° | 0.7° |
| C17 | C18 | C19 | H9 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 5.8° | 0.4° |
| C17 | C18 | C19 | H16 | 174.2° | 179.7° |
| C23 | C40 | C42 | C41 | 50.4° | 44.3° |
| C23 | C40 | C42 | H20 | 120.4° | 120.5° |
| C23 | C40 | C42 | H21 | 120.4° | 120.4° |
| C23 | C40 | C42 | O48 | 164.9° | 76.0° |
| C23 | C40 | H20 | H21 | 118.7° | 119.1° |
| C23 | C40 | C42 | H24 | 71.5° | 164.6° |
| C16 | C21 | C41 | C20 | 173.9° | 179.5° |
| C16 | C21 | C41 | C42 | 71.0° | 76.8° |
| C16 | C21 | C20 | C19 | 2.0° | 0.7° |
| C16 | C21 | C20 | N29 | 178.1° | 179.3° |
| C21 | C16 | C17 | H8 | 177.2° | 179.3° |
| C16 | C21 | C41 | H22 | 167.7° | 43.6° |
| C16 | C21 | C41 | H23 | 50.2° | 162.9° |
| C18 | C19 | C20 | C21 | 4.4° | 0.0° |
| C18 | C19 | C20 | H16 | 180.0° | 179.9° |
| C18 | C19 | C20 | N29 | 179.5° | 180.0° |
| C19 | C18 | C17 | H8 | 174.9° | 180.0° |
| C21 | C41 | C42 | H22 | 121.2° | 120.4° |
| C21 | C41 | C42 | H23 | 121.2° | 120.3° |
| C21 | C41 | C42 | C40 | 35.4° | 44.1° |
| C41 | C21 | C20 | C19 | 176.3° | 178.8° |
| C41 | C21 | C20 | N29 | 7.6° | 1.2° |
| C21 | C41 | C42 | O48 | 79.0° | 164.5° |
| C21 | C41 | H22 | H23 | 116.1° | 119.4° |
| C21 | C41 | C42 | H24 | 156.9° | 76.2° |
| C20 | C21 | C41 | C42 | 115.1° | 103.8° |
| C21 | C20 | C19 | N29 | 176.1° | 180.0° |
| C21 | C20 | N29 | N32 | 75.5° | 54.7° |
| C21 | C20 | N29 | C30 | 93.6° | 125.0° |
| C21 | C20 | C19 | H16 | 175.6° | 180.0° |
| C20 | C21 | C41 | H22 | 6.1° | 135.9° |
| C20 | C21 | C41 | H23 | 123.7° | 16.5° |
| C41 | C42 | C40 | O48 | 114.6° | 120.3° |
| C41 | C42 | C40 | H24 | 121.8° | 120.3° |
| C41 | C42 | O48 | H24 | 122.6° | 119.4° |
| C41 | C42 | C40 | H20 | 170.8° | 76.2° |
| C41 | C42 | C40 | H21 | 70.1° | 164.7° |
| C42 | C41 | H22 | H23 | 116.2° | 119.3° |
| C41 | C42 | O48 | H34 | 180.0° | 58.8° |
| C40 | C42 | O48 | H24 | 121.8° | 119.4° |
| C42 | C40 | H20 | H21 | 118.7° | 119.1° |
| C40 | C42 | C41 | H22 | 156.6° | 76.2° |
| C40 | C42 | C41 | H23 | 85.8° | 164.4° |
| C40 | C42 | O48 | H34 | 64.5° | 180.0° |
| C19 | C20 | N29 | N32 | 108.1° | 125.3° |
| C19 | C20 | N29 | C30 | 82.8° | 55.0° |
| C20 | C19 | C18 | H9 | 174.2° | 179.6° |
| C20 | N29 | N32 | C30 | 168.9° | 179.7° |
| C20 | N29 | N32 | C31 | 172.0° | 180.0° |
| C20 | N29 | C30 | O33 | 7.9° | 0.0° |
| C20 | N29 | C30 | C35 | 174.9° | 180.0° |
| N29 | C20 | C19 | H16 | 0.5° | 0.1° |
| O48 | C42 | C40 | H20 | 74.6° | 163.5° |
| O48 | C42 | C40 | H21 | 44.5° | 44.4° |
| O48 | C42 | C41 | H22 | 42.2° | 44.1° |
| O48 | C42 | C41 | H23 | 159.8° | 75.2° |
| N29 | N32 | C31 | C34 | 3.4° | 0.0° |
| N32 | N29 | C30 | O33 | 176.4° | 179.7° |
| N32 | N29 | C30 | C35 | 6.5° | 0.3° |
| N29 | N32 | C31 | H17 | 176.6° | 179.7° |
| C31 | N32 | N29 | C30 | 3.1° | 0.3° |
| N32 | C31 | C34 | H17 | 180.0° | 179.7° |
| N32 | C31 | C34 | C35 | 6.0° | 0.2° |
| N32 | C31 | C34 | C39 | 176.3° | 180.0° |
| N29 | C30 | O33 | C35 | 176.7° | 180.0° |
| N29 | C30 | C35 | C34 | 3.7° | 0.1° |
| N29 | C30 | C35 | C36 | 176.3° | 180.0° |
| C31 | C34 | C35 | C30 | 2.4° | 0.2° |
| C31 | C34 | C35 | C39 | 177.6° | 179.8° |
| C31 | C34 | C35 | C36 | 177.7° | 179.8° |
| C31 | C34 | C39 | C38 | 177.3° | 179.7° |
| C31 | C34 | C39 | H19 | 2.7° | 0.1° |
| O33 | C30 | C35 | C34 | 179.5° | 180.0° |
| O33 | C30 | C35 | C36 | 0.6° | 0.0° |
| C30 | C35 | C34 | C36 | 179.9° | 180.0° |
| C30 | C35 | C34 | C39 | 180.0° | 180.0° |
| C30 | C35 | C36 | F43 | 0.5° | 0.0° |
| C30 | C35 | C36 | C37 | 179.4° | 180.0° |
| C35 | C34 | C39 | C38 | 0.3° | 0.1° |
| C34 | C35 | C36 | F43 | 179.6° | 180.0° |
| C34 | C35 | C36 | C37 | 0.6° | 0.0° |
| C35 | C34 | C31 | H17 | 174.0° | 180.0° |
| C35 | C34 | C39 | H19 | 179.7° | 179.7° |
| C39 | C34 | C35 | C36 | 0.1° | 0.1° |
| C34 | C39 | C38 | H19 | 180.0° | 179.7° |
| C34 | C39 | C38 | C37 | 0.3° | 0.1° |
| C34 | C39 | C38 | C44 | 175.8° | 180.0° |
| C39 | C34 | C31 | H17 | 3.7° | 0.2° |
| C35 | C36 | F43 | C37 | 179.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.7° | 0.0° |
| C35 | C36 | C37 | H18 | 179.4° | 180.0° |
| C39 | C38 | C37 | C36 | 0.1° | 0.0° |
| C39 | C38 | C37 | C44 | 175.5° | 179.9° |
| C39 | C38 | C44 | C47 | 38.5° | 60.0° |
| C39 | C38 | C44 | C46 | 83.2° | 180.0° |
| C39 | C38 | C44 | C45 | 151.1° | 59.9° |
| C39 | C38 | C37 | H18 | 179.9° | 180.0° |
| F43 | C36 | C37 | C38 | 179.6° | 180.0° |
| F43 | C36 | C37 | H18 | 0.5° | 0.0° |
| C36 | C37 | C38 | H18 | 180.0° | 180.0° |
| C36 | C37 | C38 | C44 | 175.4° | 179.9° |
| C37 | C38 | C44 | C47 | 145.9° | 120.0° |
| C37 | C38 | C44 | C46 | 92.4° | 0.1° |
| C37 | C38 | C44 | C45 | 33.3° | 120.0° |
| C37 | C38 | C39 | H19 | 179.7° | 179.7° |
| C38 | C44 | C47 | C46 | 120.8° | 120.0° |
| C38 | C44 | C47 | C45 | 119.3° | 120.0° |
| C38 | C44 | C46 | C45 | 124.3° | 120.1° |
| C44 | C38 | C37 | H18 | 4.6° | 0.1° |
| C44 | C38 | C39 | H19 | 4.2° | 0.4° |
| C38 | C44 | C45 | H25 | 180.0° | 60.0° |
| C38 | C44 | C45 | H26 | 60.0° | 180.0° |
| C38 | C44 | C45 | H27 | 60.0° | 59.9° |
| C38 | C44 | C46 | H28 | 180.0° | 59.9° |
| C38 | C44 | C46 | H29 | 60.0° | 180.0° |
| C38 | C44 | C46 | H30 | 60.0° | 60.0° |
| C38 | C44 | C47 | H31 | 180.0° | 60.0° |
| C38 | C44 | C47 | H32 | 60.0° | 180.0° |
| C38 | C44 | C47 | H33 | 60.0° | 60.0° |
| C47 | C44 | C46 | C45 | 111.0° | 120.0° |
| C47 | C44 | C45 | H25 | 58.7° | 180.0° |
| C47 | C44 | C45 | H26 | 61.3° | 60.0° |
| C47 | C44 | C45 | H27 | 178.8° | 60.0° |
| C47 | C44 | C46 | H28 | 55.3° | 60.1° |
| C47 | C44 | C46 | H29 | 175.3° | 60.0° |
| C47 | C44 | C46 | H30 | 64.7° | 180.0° |
| C44 | C47 | H31 | H32 | 120.0° | 120.0° |
| C44 | C47 | H31 | H33 | 120.0° | 120.0° |
| C44 | C47 | H32 | H33 | 120.0° | 120.0° |
| C46 | C44 | C45 | H25 | 57.8° | 60.0° |
| C46 | C44 | C45 | H26 | 177.8° | 59.9° |
| C46 | C44 | C45 | H27 | 62.2° | 180.0° |
| C44 | C46 | H28 | H29 | 120.0° | 120.1° |
| C44 | C46 | H28 | H30 | 120.0° | 119.9° |
| C44 | C46 | H29 | H30 | 120.0° | 120.0° |
| C46 | C44 | C47 | H31 | 59.2° | 180.0° |
| C46 | C44 | C47 | H32 | 60.8° | 60.0° |
| C46 | C44 | C47 | H33 | 179.2° | 60.0° |
| C44 | C45 | H25 | H26 | 120.0° | 120.0° |
| C44 | C45 | H25 | H27 | 120.0° | 119.9° |
| C44 | C45 | H26 | H27 | 120.0° | 120.0° |
| C45 | C44 | C46 | H28 | 55.7° | 180.0° |
| C45 | C44 | C46 | H29 | 64.3° | 59.9° |
| C45 | C44 | C46 | H30 | 175.7° | 60.0° |
| C45 | C44 | C47 | H31 | 60.7° | 60.0° |
| C45 | C44 | C47 | H32 | 179.3° | 60.0° |
| C45 | C44 | C47 | H33 | 59.3° | 180.0° |
| H1 | C1 | C2 | H2 | 2.0° | 0.2° |
| H4 | C12 | C11 | H12 | 52.6° | 172.7° |
| H4 | C12 | C11 | H13 | 67.1° | 52.1° |
| H5 | C12 | C11 | H12 | 171.9° | 52.5° |
| H5 | C12 | C11 | H13 | 52.3° | 68.0° |
| H6 | C15 | C14 | H14 | 50.8° | 52.5° |
| H6 | C15 | C14 | H15 | 69.5° | 172.7° |
| H7 | C15 | C14 | H14 | 169.4° | 68.0° |
| H7 | C15 | C14 | H15 | 49.1° | 52.1° |
| H8 | C17 | C18 | H9 | 5.1° | 0.1° |
| H9 | C18 | C19 | H16 | 5.8° | 0.3° |
| H20 | C40 | C42 | H24 | 48.9° | 44.1° |
| H21 | C40 | C42 | H24 | 168.1° | 75.0° |
| H22 | C41 | C42 | H24 | 81.8° | 163.4° |
| H23 | C41 | C42 | H24 | 35.7° | 44.1° |
| H24 | C42 | O48 | H34 | 57.4° | 60.6° |
| H25 | C45 | H26 | H27 | 120.0° | 120.0° |
| H28 | C46 | H29 | H30 | 120.0° | 120.0° |
| H31 | C47 | H32 | H33 | 120.0° | 120.0° |
| H35 | C49 | H36 | H37 | 120.0° | 120.0° |
