Y9D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C42 | C37 | sing | 1.53Å | 1.52Å | |
| C42 | C41 | sing | 1.53Å | 1.52Å | |
| C37 | N38 | sing | 1.47Å | 1.49Å | |
| C46 | C45 | sing | 1.53Å | 1.50Å | |
| C45 | C43 | sing | 1.51Å | 1.50Å | |
| C41 | O35 | sing | 1.43Å | 1.43Å | |
| C41 | C40 | sing | 1.53Å | 1.54Å | |
| O35 | C34 | sing | 1.35Å | 1.38Å | |
| C27 | N26 | sing | 1.48Å | 1.46Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C23 | N31 | sing | 1.47Å | 1.45Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| N38 | C36 | sing | 1.47Å | 1.48Å | |
| N38 | C39 | sing | 1.47Å | 1.48Å | |
| N33 | C34 | doub | 1.33Å | 1.35Å | Aromatic |
| N33 | C32 | sing | 1.33Å | 1.34Å | Aromatic |
| C34 | N16 | sing | 1.32Å | 1.33Å | Aromatic |
| N31 | C32 | sing | 1.38Å | 1.44Å | |
| N31 | C30 | sing | 1.47Å | 1.45Å | |
| C40 | C39 | sing | 1.53Å | 1.52Å | |
| C32 | C22 | doub | 1.42Å | 1.40Å | Aromatic |
| C43 | N26 | sing | 1.35Å | 1.37Å | |
| C43 | O44 | doub | 1.21Å | 1.23Å | |
| N26 | C25 | sing | 1.48Å | 1.46Å | |
| C24 | C28 | sing | 1.53Å | 1.52Å | |
| N16 | C17 | doub | 1.34Å | 1.33Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C28 | C29 | sing | 1.53Å | 1.50Å | |
| C28 | C25 | sing | 1.53Å | 1.54Å | |
| C14 | O15 | sing | 1.43Å | 1.43Å | |
| C30 | C29 | sing | 1.53Å | 1.51Å | |
| N5 | C6 | doub | 1.30Å | 1.34Å | Aromatic |
| N5 | N4 | sing | 1.40Å | 1.34Å | Aromatic |
| C22 | C17 | sing | 1.42Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.40Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.41Å | 1.42Å | Aromatic |
| C17 | C18 | sing | 1.41Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | O15 | sing | 1.36Å | 1.38Å | |
| C18 | C19 | doub | 1.39Å | 1.37Å | Aromatic |
| N4 | C8 | sing | 1.37Å | 1.37Å | Aromatic |
| C20 | C19 | sing | 1.42Å | 1.37Å | Aromatic |
| C20 | C2 | sing | 1.48Å | 1.45Å | |
| C19 | C12 | sing | 1.48Å | 1.44Å | |
| C7 | C8 | doub | 1.41Å | 1.39Å | Aromatic |
| C7 | C12 | sing | 1.41Å | 1.38Å | Aromatic |
| C2 | C1 | doub | 1.33Å | 1.33Å | |
| C8 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C3 | sing | 1.51Å | 1.50Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| C46 | H7 | sing | 1.09Å | 1.10Å | |
| C46 | H8 | sing | 1.09Å | 1.10Å | |
| C46 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| C45 | H11 | sing | 1.09Å | 1.10Å | |
| C45 | H12 | sing | 1.09Å | 1.10Å | |
| C40 | H13 | sing | 1.09Å | 1.10Å | |
| C40 | H14 | sing | 1.09Å | 1.10Å | |
| C42 | H15 | sing | 1.09Å | 1.10Å | |
| C42 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C39 | H21 | sing | 1.09Å | 1.10Å | |
| C39 | H22 | sing | 1.09Å | 1.10Å | |
| C37 | H23 | sing | 1.09Å | 1.10Å | |
| C37 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C41 | H33 | sing | 1.09Å | 1.10Å | |
| C3 | H34 | sing | 1.09Å | 1.10Å | |
| C3 | H35 | sing | 1.09Å | 1.10Å | |
| C3 | H36 | sing | 1.09Å | 1.10Å | |
| C13 | H37 | sing | 1.09Å | 1.10Å | |
| C13 | H38 | sing | 1.09Å | 1.10Å | |
| C13 | H39 | sing | 1.09Å | 1.10Å | |
| C36 | H40 | sing | 1.09Å | 1.10Å | |
| C36 | H41 | sing | 1.09Å | 1.10Å | |
| C36 | H42 | sing | 1.09Å | 1.10Å | |
| C14 | H43 | sing | 1.09Å | 1.10Å | |
| C14 | H44 | sing | 1.09Å | 1.10Å | |
| N4 | H45 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C37 | C42 | C41 | 118.3° | 109.3° |
| C42 | C37 | N38 | 113.3° | 109.5° |
| C37 | C42 | H15 | 107.2° | 109.5° |
| C37 | C42 | H16 | 107.2° | 109.5° |
| C42 | C37 | H23 | 108.5° | 109.5° |
| C42 | C37 | H24 | 108.5° | 109.5° |
| C42 | C41 | O35 | 104.2° | 109.5° |
| C42 | C41 | C40 | 114.7° | 109.2° |
| C41 | C42 | H15 | 107.2° | 109.6° |
| C41 | C42 | H16 | 107.2° | 109.5° |
| C42 | C41 | H33 | 107.6° | 109.6° |
| C37 | N38 | C36 | 111.1° | 111.0° |
| C37 | N38 | C39 | 114.2° | 111.2° |
| N38 | C37 | H23 | 108.5° | 109.5° |
| N38 | C37 | H24 | 108.5° | 109.4° |
| C46 | C45 | C43 | 108.4° | 109.5° |
| C45 | C46 | H7 | 109.5° | 109.5° |
| C45 | C46 | H8 | 109.5° | 109.5° |
| C45 | C46 | H9 | 109.5° | 109.4° |
| C46 | C45 | H11 | 109.7° | 109.4° |
| C46 | C45 | H12 | 109.7° | 109.5° |
| C45 | C43 | N26 | 115.3° | 120.0° |
| C45 | C43 | O44 | 120.7° | 120.0° |
| C43 | C45 | H11 | 109.8° | 109.5° |
| C43 | C45 | H12 | 109.7° | 109.5° |
| O35 | C41 | C40 | 113.8° | 109.6° |
| C41 | O35 | C34 | 117.8° | 117.0° |
| O35 | C41 | H33 | 108.8° | 109.5° |
| C41 | C40 | C39 | 114.8° | 109.2° |
| C41 | C40 | H13 | 108.1° | 109.5° |
| C41 | C40 | H14 | 108.1° | 109.6° |
| C40 | C41 | H33 | 107.5° | 109.5° |
| O35 | C34 | N33 | 127.3° | 118.6° |
| O35 | C34 | N16 | 106.4° | 118.6° |
| N26 | C27 | C28 | 87.7° | 86.0° |
| C27 | N26 | C43 | 134.4° | 134.4° |
| C27 | N26 | C25 | 95.5° | 91.1° |
| N26 | C27 | H31 | 114.6° | 113.7° |
| N26 | C27 | H32 | 114.6° | 113.8° |
| C27 | C28 | C24 | 110.5° | 113.7° |
| C27 | C28 | C29 | 113.6° | 113.7° |
| C27 | C28 | C25 | 89.6° | 86.8° |
| C28 | C27 | H31 | 114.6° | 113.8° |
| C28 | C27 | H32 | 114.6° | 113.8° |
| N31 | C23 | C24 | 107.5° | 109.4° |
| C23 | N31 | C32 | 124.5° | 111.0° |
| C23 | N31 | C30 | 116.7° | 111.5° |
| N31 | C23 | H25 | 110.0° | 109.5° |
| N31 | C23 | H26 | 110.0° | 109.5° |
| C23 | C24 | C28 | 113.7° | 109.0° |
| C23 | C24 | H17 | 108.4° | 109.5° |
| C23 | C24 | H18 | 108.4° | 109.6° |
| C24 | C23 | H25 | 110.0° | 109.5° |
| C24 | C23 | H26 | 110.0° | 109.5° |
| C36 | N38 | C39 | 113.0° | 111.1° |
| N38 | C36 | H40 | 109.5° | 109.4° |
| N38 | C36 | H41 | 109.4° | 109.4° |
| N38 | C36 | H42 | 109.5° | 109.5° |
| N38 | C39 | C40 | 111.2° | 109.6° |
| N38 | C39 | H21 | 109.0° | 109.5° |
| N38 | C39 | H22 | 109.0° | 109.5° |
| C34 | N33 | C32 | 115.4° | 121.5° |
| N33 | C34 | N16 | 126.4° | 122.8° |
| N33 | C32 | N31 | 116.0° | 120.9° |
| N33 | C32 | C22 | 121.5° | 118.3° |
| C34 | N16 | C17 | 118.3° | 120.4° |
| C32 | N31 | C30 | 118.7° | 110.9° |
| N31 | C32 | C22 | 122.5° | 120.8° |
| N31 | C30 | C29 | 124.1° | 109.4° |
| N31 | C30 | H27 | 105.7° | 109.5° |
| N31 | C30 | H28 | 105.7° | 109.5° |
| C39 | C40 | H13 | 108.1° | 109.5° |
| C39 | C40 | H14 | 108.1° | 109.5° |
| C40 | C39 | H21 | 109.1° | 109.5° |
| C40 | C39 | H22 | 109.1° | 109.5° |
| C32 | C22 | C17 | 118.6° | 118.2° |
| C32 | C22 | C21 | 123.9° | 121.6° |
| N26 | C43 | O44 | 124.0° | 120.0° |
| C43 | N26 | C25 | 126.0° | 134.5° |
| N26 | C25 | C28 | 87.3° | 86.0° |
| N26 | C25 | H29 | 114.7° | 113.8° |
| N26 | C25 | H30 | 114.7° | 113.9° |
| C24 | C28 | C29 | 115.9° | 112.9° |
| C24 | C28 | C25 | 119.9° | 113.7° |
| C28 | C24 | H17 | 108.4° | 109.6° |
| C28 | C24 | H18 | 108.4° | 109.6° |
| N16 | C17 | C22 | 119.8° | 118.8° |
| N16 | C17 | C18 | 120.0° | 121.5° |
| C13 | C14 | O15 | 108.5° | 109.5° |
| C14 | C13 | H37 | 109.5° | 109.5° |
| C14 | C13 | H38 | 109.5° | 109.4° |
| C14 | C13 | H39 | 109.4° | 109.4° |
| C13 | C14 | H43 | 109.7° | 109.5° |
| C13 | C14 | H44 | 109.7° | 109.5° |
| C29 | C28 | C25 | 104.7° | 113.7° |
| C28 | C29 | C30 | 113.8° | 109.0° |
| C28 | C29 | H19 | 108.4° | 109.5° |
| C28 | C29 | H20 | 108.3° | 109.6° |
| C28 | C25 | H29 | 114.7° | 113.8° |
| C28 | C25 | H30 | 114.7° | 113.8° |
| C14 | O15 | C18 | 108.6° | 117.0° |
| O15 | C14 | H43 | 109.7° | 109.4° |
| O15 | C14 | H44 | 109.7° | 109.5° |
| C30 | C29 | H19 | 108.4° | 109.6° |
| C30 | C29 | H20 | 108.4° | 109.6° |
| C29 | C30 | H27 | 105.7° | 109.5° |
| C29 | C30 | H28 | 105.7° | 109.4° |
| C6 | N5 | N4 | 103.8° | 109.7° |
| N5 | C6 | C7 | 111.8° | 108.7° |
| N5 | C6 | H4 | 124.1° | 125.7° |
| N5 | N4 | C8 | 114.4° | 108.0° |
| N5 | N4 | H45 | 122.8° | 126.0° |
| C17 | C22 | C21 | 117.4° | 120.2° |
| C22 | C17 | C18 | 120.2° | 119.7° |
| C22 | C21 | C20 | 122.6° | 119.8° |
| C22 | C21 | H3 | 118.7° | 120.1° |
| C6 | C7 | C8 | 104.9° | 107.0° |
| C6 | C7 | C12 | 135.6° | 133.6° |
| C7 | C6 | H4 | 124.0° | 125.7° |
| C17 | C18 | O15 | 122.1° | 120.2° |
| C17 | C18 | C19 | 121.3° | 119.7° |
| C21 | C20 | C19 | 119.7° | 120.4° |
| C21 | C20 | C2 | 118.6° | 119.8° |
| C20 | C21 | H3 | 118.7° | 120.1° |
| O15 | C18 | C19 | 116.5° | 120.2° |
| C18 | C19 | C20 | 118.7° | 120.3° |
| C18 | C19 | C12 | 121.9° | 119.8° |
| N4 | C8 | C7 | 105.1° | 106.6° |
| N4 | C8 | C9 | 132.1° | 133.6° |
| C8 | N4 | H45 | 122.8° | 126.0° |
| C19 | C20 | C2 | 121.7° | 119.8° |
| C20 | C19 | C12 | 119.4° | 119.8° |
| C20 | C2 | C1 | 117.5° | 120.0° |
| C20 | C2 | H10 | 121.2° | 120.0° |
| C19 | C12 | C7 | 116.5° | 120.3° |
| C19 | C12 | C11 | 124.3° | 120.3° |
| C8 | C7 | C12 | 119.5° | 119.5° |
| C7 | C8 | C9 | 122.8° | 119.8° |
| C7 | C12 | C11 | 119.1° | 119.4° |
| C2 | C1 | H5 | 120.0° | 120.0° |
| C2 | C1 | H6 | 120.0° | 120.0° |
| C1 | C2 | H10 | 121.3° | 120.0° |
| C8 | C9 | C10 | 116.2° | 120.2° |
| C8 | C9 | H2 | 121.9° | 119.9° |
| C12 | C11 | C10 | 119.4° | 120.4° |
| C12 | C11 | C3 | 121.7° | 119.8° |
| C9 | C10 | C11 | 122.9° | 120.7° |
| C9 | C10 | H1 | 118.6° | 119.7° |
| C10 | C9 | H2 | 121.9° | 119.9° |
| C10 | C11 | C3 | 118.9° | 119.8° |
| C11 | C10 | H1 | 118.5° | 119.6° |
| C11 | C3 | H34 | 109.5° | 109.5° |
| C11 | C3 | H35 | 109.4° | 109.5° |
| C11 | C3 | H36 | 109.5° | 109.5° |
| H5 | C1 | H6 | 120.0° | 120.0° |
| H7 | C46 | H8 | 109.5° | 109.5° |
| H7 | C46 | H9 | 109.4° | 109.5° |
| H8 | C46 | H9 | 109.4° | 109.4° |
| H11 | C45 | H12 | 109.5° | 109.4° |
| H13 | C40 | H14 | 109.5° | 109.5° |
| H15 | C42 | H16 | 109.5° | 109.5° |
| H17 | C24 | H18 | 109.5° | 109.5° |
| H19 | C29 | H20 | 109.5° | 109.5° |
| H21 | C39 | H22 | 109.5° | 109.4° |
| H23 | C37 | H24 | 109.4° | 109.5° |
| H25 | C23 | H26 | 109.5° | 109.5° |
| H27 | C30 | H28 | 109.5° | 109.5° |
| H29 | C25 | H30 | 109.5° | 112.9° |
| H31 | C27 | H32 | 109.5° | 113.0° |
| H34 | C3 | H35 | 109.5° | 109.5° |
| H34 | C3 | H36 | 109.5° | 109.4° |
| H35 | C3 | H36 | 109.5° | 109.5° |
| H37 | C13 | H38 | 109.5° | 109.5° |
| H37 | C13 | H39 | 109.5° | 109.5° |
| H38 | C13 | H39 | 109.5° | 109.4° |
| H40 | C36 | H41 | 109.5° | 109.5° |
| H40 | C36 | H42 | 109.5° | 109.5° |
| H41 | C36 | H42 | 109.5° | 109.5° |
| H43 | C14 | H44 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | C42 | C41 | H15 | 121.3° | 119.9° |
| C37 | C42 | C41 | H16 | 121.3° | 119.9° |
| C42 | C37 | N38 | H23 | 120.6° | 120.0° |
| C42 | C37 | N38 | H24 | 120.6° | 120.0° |
| C37 | C42 | C41 | O35 | 96.7° | 62.3° |
| C37 | C42 | C41 | C40 | 28.4° | 57.7° |
| C42 | C37 | N38 | C36 | 179.1° | 174.1° |
| C42 | C37 | N38 | C39 | 49.8° | 61.7° |
| C37 | C42 | H15 | H16 | 116.0° | 120.0° |
| C42 | C37 | H23 | H24 | 118.2° | 120.0° |
| C37 | C42 | C41 | H33 | 147.9° | 177.6° |
| C41 | C42 | C37 | N38 | 34.5° | 59.1° |
| C42 | C41 | O35 | C40 | 125.6° | 119.7° |
| C42 | C41 | O35 | H33 | 114.6° | 120.2° |
| C42 | C41 | C40 | H33 | 119.6° | 119.9° |
| C42 | C41 | O35 | C34 | 156.3° | 150.0° |
| C42 | C41 | C40 | C39 | 36.3° | 57.6° |
| C42 | C41 | C40 | H13 | 157.1° | 62.3° |
| C42 | C41 | C40 | H14 | 84.4° | 177.6° |
| C41 | C42 | H15 | H16 | 116.0° | 120.1° |
| C41 | C42 | C37 | H23 | 155.1° | 179.2° |
| C41 | C42 | C37 | H24 | 86.1° | 60.8° |
| C37 | N38 | C36 | C39 | 129.9° | 124.2° |
| C37 | N38 | C39 | C40 | 58.4° | 61.7° |
| N38 | C37 | C42 | H15 | 155.8° | 179.1° |
| N38 | C37 | C42 | H16 | 86.8° | 60.8° |
| C37 | N38 | C39 | H21 | 178.7° | 58.3° |
| C37 | N38 | C39 | H22 | 61.8° | 178.2° |
| N38 | C37 | H23 | H24 | 118.2° | 119.9° |
| C37 | N38 | C36 | H40 | 180.0° | 60.0° |
| C37 | N38 | C36 | H41 | 60.0° | 180.0° |
| C37 | N38 | C36 | H42 | 60.0° | 60.0° |
| C46 | C45 | C43 | H11 | 119.8° | 120.0° |
| C46 | C45 | C43 | H12 | 119.8° | 120.0° |
| C46 | C45 | C43 | N26 | 101.9° | 179.9° |
| C46 | C45 | C43 | O44 | 80.4° | 0.0° |
| C45 | C46 | H7 | H8 | 120.0° | 120.0° |
| C45 | C46 | H7 | H9 | 120.0° | 120.0° |
| C45 | C46 | H8 | H9 | 120.0° | 120.0° |
| C46 | C45 | H11 | H12 | 120.5° | 120.0° |
| C45 | C43 | N26 | C27 | 17.7° | 179.9° |
| C45 | C43 | N26 | O44 | 177.6° | 179.9° |
| C45 | C43 | N26 | C25 | 169.2° | 0.1° |
| C43 | C45 | C46 | H7 | 180.0° | 180.0° |
| C43 | C45 | C46 | H8 | 60.0° | 60.0° |
| C43 | C45 | C46 | H9 | 60.0° | 60.0° |
| C43 | C45 | H11 | H12 | 120.5° | 120.0° |
| O35 | C41 | C40 | H33 | 120.6° | 120.1° |
| C41 | O35 | C34 | N33 | 19.6° | 180.0° |
| C41 | O35 | C34 | N16 | 160.3° | 0.1° |
| O35 | C41 | C40 | C39 | 83.5° | 62.3° |
| O35 | C41 | C40 | H13 | 37.3° | 177.8° |
| O35 | C41 | C40 | H14 | 155.8° | 57.7° |
| O35 | C41 | C42 | H15 | 24.6° | 57.6° |
| O35 | C41 | C42 | H16 | 142.1° | 177.8° |
| C40 | C41 | O35 | C34 | 78.1° | 90.3° |
| C41 | C40 | C39 | N38 | 51.1° | 59.2° |
| C41 | C40 | C39 | H13 | 120.8° | 119.9° |
| C41 | C40 | C39 | H14 | 120.8° | 120.0° |
| C41 | C40 | H13 | H14 | 117.6° | 120.2° |
| C40 | C41 | C42 | H15 | 149.6° | 177.6° |
| C40 | C41 | C42 | H16 | 92.9° | 62.3° |
| C41 | C40 | C39 | H21 | 171.4° | 60.9° |
| C41 | C40 | C39 | H22 | 69.1° | 179.2° |
| O35 | C34 | N33 | N16 | 179.9° | 180.0° |
| O35 | C34 | N33 | C32 | 178.8° | 180.0° |
| O35 | C34 | N16 | C17 | 180.0° | 180.0° |
| C34 | O35 | C41 | H33 | 41.7° | 29.8° |
| N26 | C27 | C28 | H31 | 116.1° | 114.2° |
| N26 | C27 | C28 | H32 | 116.1° | 114.3° |
| C27 | N26 | C43 | C25 | 151.4° | 179.8° |
| C27 | N26 | C43 | O44 | 164.7° | 0.2° |
| N26 | C27 | C28 | C24 | 121.2° | 91.2° |
| N26 | C27 | C28 | C29 | 106.7° | 137.8° |
| N26 | C27 | C28 | C25 | 0.8° | 23.3° |
| C27 | N26 | C25 | H29 | 115.2° | 138.5° |
| C27 | N26 | C25 | H30 | 116.8° | 90.1° |
| N26 | C27 | H31 | H32 | 130.4° | 131.8° |
| C27 | C28 | C24 | C23 | 86.1° | 77.7° |
| C28 | C27 | N26 | C43 | 156.3° | 155.6° |
| C27 | C28 | C24 | C29 | 131.0° | 131.4° |
| C27 | C28 | C24 | C25 | 101.8° | 97.2° |
| C27 | C28 | C29 | C25 | 96.1° | 97.2° |
| C27 | C28 | C29 | C30 | 118.4° | 77.7° |
| C27 | C28 | C24 | H17 | 34.5° | 42.1° |
| C27 | C28 | C24 | H18 | 153.3° | 162.3° |
| C27 | C28 | C29 | H19 | 2.2° | 162.4° |
| C27 | C28 | C29 | H20 | 120.9° | 42.2° |
| C27 | C28 | C25 | H29 | 115.2° | 137.6° |
| C27 | C28 | C25 | H30 | 116.8° | 91.1° |
| C28 | C27 | H31 | H32 | 130.4° | 131.9° |
| N31 | C23 | C24 | H25 | 119.7° | 120.0° |
| N31 | C23 | C24 | H26 | 119.7° | 120.0° |
| C23 | N31 | C32 | N33 | 1.7° | 62.2° |
| C23 | N31 | C32 | C30 | 176.0° | 124.5° |
| C23 | N31 | C32 | C22 | 177.9° | 117.7° |
| N31 | C23 | C24 | C28 | 62.0° | 56.8° |
| C23 | N31 | C30 | C29 | 15.8° | 63.6° |
| N31 | C23 | C24 | H17 | 177.4° | 176.6° |
| N31 | C23 | C24 | H18 | 58.7° | 63.1° |
| N31 | C23 | H25 | H26 | 120.9° | 120.1° |
| C23 | N31 | C30 | H27 | 137.8° | 56.4° |
| C23 | N31 | C30 | H28 | 106.2° | 176.5° |
| C24 | C23 | N31 | C32 | 137.4° | 172.2° |
| C24 | C23 | N31 | C30 | 46.5° | 63.6° |
| C23 | C24 | C28 | H17 | 120.6° | 119.9° |
| C23 | C24 | C28 | H18 | 120.6° | 119.9° |
| C23 | C24 | C28 | C29 | 44.9° | 53.7° |
| C23 | C24 | C28 | C25 | 172.0° | 174.9° |
| C23 | C24 | H17 | H18 | 118.0° | 120.3° |
| C24 | C23 | H25 | H26 | 120.9° | 120.0° |
| C36 | N38 | C39 | C40 | 173.3° | 174.1° |
| C36 | N38 | C39 | H21 | 53.0° | 65.8° |
| C36 | N38 | C39 | H22 | 66.5° | 54.1° |
| C36 | N38 | C37 | H23 | 60.3° | 54.1° |
| C36 | N38 | C37 | H24 | 58.5° | 65.8° |
| N38 | C36 | H40 | H41 | 120.0° | 119.9° |
| N38 | C36 | H40 | H42 | 120.0° | 120.1° |
| N38 | C36 | H41 | H42 | 120.0° | 120.0° |
| N38 | C39 | C40 | H21 | 120.2° | 120.0° |
| N38 | C39 | C40 | H22 | 120.3° | 120.1° |
| N38 | C39 | C40 | H13 | 171.9° | 60.7° |
| N38 | C39 | C40 | H14 | 69.6° | 179.1° |
| N38 | C39 | H21 | H22 | 119.2° | 120.0° |
| C39 | N38 | C37 | H23 | 170.4° | 178.3° |
| C39 | N38 | C37 | H24 | 70.8° | 58.3° |
| C39 | N38 | C36 | H40 | 50.1° | 64.2° |
| C39 | N38 | C36 | H41 | 170.1° | 55.7° |
| C39 | N38 | C36 | H42 | 69.9° | 175.8° |
| C34 | N33 | C32 | N31 | 178.9° | 180.0° |
| C34 | N33 | C32 | C22 | 1.4° | 0.0° |
| N33 | C34 | N16 | C17 | 0.1° | 0.0° |
| C32 | N33 | C34 | N16 | 1.3° | 0.0° |
| N33 | C32 | N31 | C22 | 179.6° | 179.9° |
| N33 | C32 | N31 | C30 | 174.3° | 62.3° |
| N33 | C32 | C22 | C17 | 0.5° | 0.0° |
| N33 | C32 | C22 | C21 | 176.8° | 180.0° |
| C34 | N16 | C17 | C22 | 0.9° | 0.0° |
| C34 | N16 | C17 | C18 | 179.0° | 180.0° |
| C32 | N31 | C30 | C29 | 167.9° | 172.1° |
| N31 | C32 | C22 | C17 | 179.9° | 179.9° |
| N31 | C32 | C22 | C21 | 2.8° | 0.1° |
| C32 | N31 | C23 | H25 | 102.9° | 52.2° |
| C32 | N31 | C23 | H26 | 17.7° | 67.9° |
| C32 | N31 | C30 | H27 | 45.9° | 67.9° |
| C32 | N31 | C30 | H28 | 70.1° | 52.2° |
| C30 | N31 | C32 | C22 | 6.1° | 117.8° |
| N31 | C30 | C29 | C28 | 3.7° | 56.8° |
| N31 | C30 | C29 | H27 | 122.0° | 120.0° |
| N31 | C30 | C29 | H28 | 122.0° | 120.0° |
| N31 | C30 | C29 | H19 | 117.0° | 63.1° |
| N31 | C30 | C29 | H20 | 124.3° | 176.7° |
| C30 | N31 | C23 | H25 | 73.1° | 176.4° |
| C30 | N31 | C23 | H26 | 166.2° | 56.4° |
| N31 | C30 | H27 | H28 | 113.4° | 120.1° |
| C39 | C40 | H13 | H14 | 117.6° | 120.1° |
| C40 | C39 | H21 | H22 | 119.3° | 119.9° |
| C39 | C40 | C41 | H33 | 155.9° | 177.6° |
| C32 | C22 | C17 | N16 | 0.7° | 0.0° |
| C32 | C22 | C17 | C21 | 177.5° | 180.0° |
| C32 | C22 | C17 | C18 | 179.2° | 180.0° |
| C32 | C22 | C21 | C20 | 179.0° | 180.0° |
| C32 | C22 | C21 | H3 | 1.0° | 0.2° |
| C43 | N26 | C25 | C28 | 159.1° | 155.6° |
| N26 | C43 | C45 | H11 | 17.9° | 59.9° |
| N26 | C43 | C45 | H12 | 138.3° | 60.0° |
| C43 | N26 | C25 | H29 | 84.9° | 41.4° |
| C43 | N26 | C25 | H30 | 43.1° | 90.0° |
| C43 | N26 | C27 | H31 | 40.2° | 90.1° |
| C43 | N26 | C27 | H32 | 87.6° | 41.3° |
| O44 | C43 | N26 | C25 | 13.2° | 180.0° |
| O44 | C43 | C45 | H11 | 159.8° | 120.0° |
| O44 | C43 | C45 | H12 | 39.4° | 120.0° |
| N26 | C25 | C28 | C24 | 112.8° | 91.2° |
| N26 | C25 | C28 | C29 | 115.1° | 137.8° |
| N26 | C25 | C28 | H29 | 116.0° | 114.3° |
| N26 | C25 | C28 | H30 | 116.0° | 114.4° |
| N26 | C25 | H29 | H30 | 130.6° | 131.9° |
| C25 | N26 | C27 | H31 | 116.9° | 90.0° |
| C25 | N26 | C27 | H32 | 115.3° | 138.6° |
| C24 | C28 | C29 | C25 | 134.4° | 131.4° |
| C24 | C28 | C29 | C30 | 11.1° | 53.7° |
| C28 | C24 | H17 | H18 | 118.1° | 120.2° |
| C24 | C28 | C29 | H19 | 131.7° | 66.2° |
| C24 | C28 | C29 | H20 | 109.6° | 173.6° |
| C28 | C24 | C23 | H25 | 57.7° | 176.8° |
| C28 | C24 | C23 | H26 | 178.3° | 63.2° |
| C24 | C28 | C25 | H29 | 131.2° | 23.1° |
| C24 | C28 | C25 | H30 | 3.2° | 154.4° |
| C24 | C28 | C27 | H31 | 5.1° | 154.6° |
| C24 | C28 | C27 | H32 | 122.8° | 23.1° |
| N16 | C17 | C22 | C18 | 179.9° | 180.0° |
| N16 | C17 | C22 | C21 | 178.3° | 180.0° |
| N16 | C17 | C18 | O15 | 0.2° | 0.0° |
| N16 | C17 | C18 | C19 | 178.9° | 179.8° |
| C13 | C14 | O15 | H43 | 119.8° | 120.0° |
| C13 | C14 | O15 | H44 | 119.9° | 120.1° |
| C13 | C14 | O15 | C18 | 156.2° | 180.0° |
| C14 | C13 | H37 | H38 | 120.0° | 120.0° |
| C14 | C13 | H37 | H39 | 120.0° | 120.0° |
| C14 | C13 | H38 | H39 | 120.0° | 119.9° |
| C13 | C14 | H43 | H44 | 120.5° | 120.0° |
| C28 | C29 | C30 | H19 | 120.6° | 119.8° |
| C28 | C29 | C30 | H20 | 120.6° | 120.0° |
| C29 | C28 | C24 | H17 | 165.5° | 173.5° |
| C29 | C28 | C24 | H18 | 75.7° | 66.3° |
| C28 | C29 | H19 | H20 | 118.0° | 120.3° |
| C28 | C29 | C30 | H27 | 118.3° | 63.3° |
| C28 | C29 | C30 | H28 | 125.7° | 176.7° |
| C29 | C28 | C25 | H29 | 0.9° | 107.9° |
| C29 | C28 | C25 | H30 | 128.9° | 23.4° |
| C29 | C28 | C27 | H31 | 137.2° | 23.6° |
| C29 | C28 | C27 | H32 | 9.4° | 107.9° |
| C25 | C28 | C29 | C30 | 145.5° | 174.9° |
| C25 | C28 | C24 | H17 | 67.3° | 55.1° |
| C25 | C28 | C24 | H18 | 51.4° | 65.1° |
| C25 | C28 | C29 | H19 | 93.9° | 65.2° |
| C25 | C28 | C29 | H20 | 24.8° | 55.0° |
| C28 | C25 | H29 | H30 | 130.6° | 131.7° |
| C25 | C28 | C27 | H31 | 116.9° | 90.9° |
| C25 | C28 | C27 | H32 | 115.3° | 137.6° |
| C14 | O15 | C18 | C17 | 72.1° | 90.0° |
| C14 | O15 | C18 | C19 | 109.1° | 90.2° |
| O15 | C14 | C13 | H37 | 180.0° | 60.0° |
| O15 | C14 | C13 | H38 | 60.0° | 60.0° |
| O15 | C14 | C13 | H39 | 60.0° | 180.0° |
| O15 | C14 | H43 | H44 | 120.4° | 120.0° |
| C30 | C29 | H19 | H20 | 118.0° | 120.2° |
| C29 | C30 | H27 | H28 | 113.5° | 120.0° |
| N5 | C6 | C7 | H4 | 180.0° | 179.5° |
| C6 | N5 | N4 | C8 | 0.0° | 0.3° |
| N5 | C6 | C7 | C8 | 0.2° | 0.5° |
| N5 | C6 | C7 | C12 | 179.7° | 179.9° |
| C6 | N5 | N4 | H45 | 180.0° | 179.8° |
| N4 | N5 | C6 | C7 | 0.1° | 0.5° |
| N5 | N4 | C8 | H45 | 180.0° | 179.9° |
| N5 | N4 | C8 | C7 | 0.1° | 0.0° |
| N5 | N4 | C8 | C9 | 179.7° | 179.7° |
| N4 | N5 | C6 | H4 | 179.9° | 180.0° |
| C17 | C22 | C21 | C20 | 1.6° | 0.0° |
| C22 | C17 | C18 | O15 | 179.7° | 179.9° |
| C22 | C17 | C18 | C19 | 1.0° | 0.3° |
| C17 | C22 | C21 | H3 | 178.4° | 179.8° |
| C21 | C22 | C17 | C18 | 1.6° | 0.0° |
| C22 | C21 | C20 | H3 | 180.0° | 179.8° |
| C22 | C21 | C20 | C19 | 0.9° | 0.2° |
| C22 | C21 | C20 | C2 | 179.6° | 179.8° |
| C6 | C7 | C8 | N4 | 0.2° | 0.3° |
| C6 | C7 | C12 | C19 | 1.8° | 0.1° |
| C6 | C7 | C8 | C12 | 179.9° | 179.7° |
| C6 | C7 | C8 | C9 | 179.8° | 180.0° |
| C6 | C7 | C12 | C11 | 179.5° | 179.9° |
| C17 | C18 | O15 | C19 | 178.7° | 179.8° |
| C17 | C18 | C19 | C20 | 0.2° | 0.5° |
| C17 | C18 | C19 | C12 | 179.1° | 180.0° |
| C21 | C20 | C19 | C18 | 0.2° | 0.4° |
| C21 | C20 | C19 | C2 | 179.5° | 179.9° |
| C21 | C20 | C19 | C12 | 179.2° | 180.0° |
| C21 | C20 | C2 | C1 | 55.3° | 0.0° |
| C21 | C20 | C2 | H10 | 124.7° | 180.0° |
| O15 | C18 | C19 | C20 | 179.0° | 179.7° |
| O15 | C18 | C19 | C12 | 0.3° | 0.2° |
| C18 | O15 | C14 | H43 | 83.9° | 60.0° |
| C18 | O15 | C14 | H44 | 36.3° | 60.0° |
| C18 | C19 | C20 | C12 | 179.4° | 179.5° |
| C18 | C19 | C20 | C2 | 179.7° | 179.5° |
| C18 | C19 | C12 | C7 | 93.1° | 90.5° |
| C18 | C19 | C12 | C11 | 89.4° | 89.6° |
| N4 | C8 | C7 | C9 | 179.7° | 179.8° |
| N4 | C8 | C7 | C12 | 179.7° | 179.9° |
| N4 | C8 | C9 | C10 | 179.7° | 179.7° |
| N4 | C8 | C9 | H2 | 0.3° | 0.3° |
| C20 | C19 | C12 | C7 | 87.5° | 90.0° |
| C19 | C20 | C2 | C1 | 124.2° | 179.9° |
| C20 | C19 | C12 | C11 | 89.9° | 90.0° |
| C19 | C20 | C21 | H3 | 179.1° | 180.0° |
| C19 | C20 | C2 | H10 | 55.8° | 0.0° |
| C2 | C20 | C19 | C12 | 0.3° | 0.0° |
| C20 | C2 | C1 | H10 | 180.0° | 179.9° |
| C2 | C20 | C21 | H3 | 0.4° | 0.0° |
| C20 | C2 | C1 | H5 | 0.0° | 180.0° |
| C20 | C2 | C1 | H6 | 180.0° | 0.1° |
| C19 | C12 | C7 | C8 | 178.0° | 179.6° |
| C19 | C12 | C7 | C11 | 177.6° | 179.9° |
| C19 | C12 | C11 | C10 | 178.2° | 179.9° |
| C19 | C12 | C11 | C3 | 2.4° | 0.1° |
| C8 | C7 | C12 | C11 | 0.4° | 0.3° |
| C7 | C8 | C9 | C10 | 0.1° | 0.0° |
| C7 | C8 | C9 | H2 | 179.9° | 180.0° |
| C8 | C7 | C6 | H4 | 179.8° | 180.0° |
| C7 | C8 | N4 | H45 | 179.9° | 179.9° |
| C12 | C7 | C8 | C9 | 0.1° | 0.3° |
| C7 | C12 | C11 | C10 | 0.8° | 0.1° |
| C7 | C12 | C11 | C3 | 179.8° | 180.0° |
| C12 | C7 | C6 | H4 | 0.3° | 0.4° |
| C2 | C1 | H5 | H6 | 180.0° | 179.9° |
| C8 | C9 | C10 | H2 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.6° | 0.3° |
| C8 | C9 | C10 | H1 | 179.5° | 180.0° |
| C9 | C8 | N4 | H45 | 0.3° | 0.2° |
| C12 | C11 | C10 | C9 | 0.9° | 0.2° |
| C12 | C11 | C10 | C3 | 179.4° | 179.9° |
| C12 | C11 | C10 | H1 | 179.1° | 179.9° |
| C12 | C11 | C3 | H34 | 89.7° | 90.0° |
| C12 | C11 | C3 | H35 | 150.3° | 150.0° |
| C12 | C11 | C3 | H36 | 30.3° | 30.0° |
| C9 | C10 | C11 | H1 | 180.0° | 179.7° |
| C9 | C10 | C11 | C3 | 179.7° | 179.7° |
| C11 | C10 | C9 | H2 | 179.4° | 179.8° |
| C10 | C11 | C3 | H34 | 89.7° | 90.0° |
| C10 | C11 | C3 | H35 | 30.3° | 30.0° |
| C10 | C11 | C3 | H36 | 150.3° | 150.1° |
| C3 | C11 | C10 | H1 | 0.3° | 0.0° |
| C11 | C3 | H34 | H35 | 120.0° | 120.0° |
| C11 | C3 | H34 | H36 | 120.0° | 120.0° |
| C11 | C3 | H35 | H36 | 120.0° | 120.0° |
| H1 | C10 | C9 | H2 | 0.5° | 0.0° |
| H5 | C1 | C2 | H10 | 180.0° | 0.1° |
| H6 | C1 | C2 | H10 | 0.0° | 180.0° |
| H7 | C46 | H8 | H9 | 119.9° | 120.0° |
| H7 | C46 | C45 | H11 | 60.2° | 60.0° |
| H7 | C46 | C45 | H12 | 60.2° | 60.0° |
| H8 | C46 | C45 | H11 | 59.9° | 60.1° |
| H8 | C46 | C45 | H12 | 179.8° | 180.0° |
| H9 | C46 | C45 | H11 | 179.8° | 180.0° |
| H9 | C46 | C45 | H12 | 59.8° | 60.1° |
| H13 | C40 | C39 | H21 | 67.9° | 179.2° |
| H13 | C40 | C39 | H22 | 51.7° | 59.3° |
| H13 | C40 | C41 | H33 | 83.3° | 57.7° |
| H14 | C40 | C39 | H21 | 50.6° | 59.1° |
| H14 | C40 | C39 | H22 | 170.1° | 60.8° |
| H14 | C40 | C41 | H33 | 35.2° | 62.5° |
| H15 | C42 | C37 | H23 | 83.6° | 60.8° |
| H15 | C42 | C37 | H24 | 35.2° | 59.1° |
| H15 | C42 | C41 | H33 | 90.8° | 62.5° |
| H16 | C42 | C37 | H23 | 33.8° | 59.2° |
| H16 | C42 | C37 | H24 | 152.7° | 179.2° |
| H16 | C42 | C41 | H33 | 26.6° | 57.6° |
| H17 | C24 | C23 | H25 | 62.9° | 63.4° |
| H17 | C24 | C23 | H26 | 57.7° | 56.6° |
| H18 | C24 | C23 | H25 | 178.4° | 56.8° |
| H18 | C24 | C23 | H26 | 61.0° | 176.9° |
| H19 | C29 | C30 | H27 | 121.0° | 176.9° |
| H19 | C29 | C30 | H28 | 5.0° | 56.9° |
| H20 | C29 | C30 | H27 | 2.3° | 56.7° |
| H20 | C29 | C30 | H28 | 113.7° | 63.3° |
| H34 | C3 | H35 | H36 | 120.0° | 120.0° |
| H37 | C13 | H38 | H39 | 120.0° | 120.1° |
| H37 | C13 | C14 | H43 | 60.2° | 60.0° |
| H37 | C13 | C14 | H44 | 60.1° | 180.0° |
| H38 | C13 | C14 | H43 | 59.8° | 180.0° |
| H38 | C13 | C14 | H44 | 179.9° | 60.0° |
| H39 | C13 | C14 | H43 | 179.8° | 60.1° |
| H39 | C13 | C14 | H44 | 59.9° | 59.9° |
| H40 | C36 | H41 | H42 | 120.0° | 120.0° |
