2DY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | doub | 1.39Å | 1.41Å | Aromatic |
| C25 | C30 | sing | 1.41Å | 1.42Å | Aromatic |
| C25 | C24 | sing | 1.51Å | 1.52Å | |
| C30 | N31 | sing | 1.38Å | 1.38Å | |
| C24 | C22 | sing | 1.54Å | 1.55Å | |
| N31 | C22 | sing | 1.49Å | 1.48Å | |
| N31 | C32 | sing | 1.45Å | 1.45Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C41 | C40 | sing | 1.53Å | 1.53Å | |
| C41 | O42 | sing | 1.43Å | 1.43Å | |
| C32 | C33 | sing | 1.56Å | 1.57Å | |
| C40 | C38 | sing | 1.53Å | 1.54Å | |
| O42 | C43 | sing | 1.36Å | 1.36Å | |
| C21 | N20 | sing | 1.48Å | 1.49Å | |
| C33 | C35 | sing | 1.51Å | 1.51Å | |
| C33 | N20 | sing | 1.47Å | 1.47Å | |
| C35 | N37 | sing | 1.35Å | 1.35Å | |
| C35 | O36 | doub | 1.21Å | 1.23Å | |
| N37 | C38 | sing | 1.47Å | 1.47Å | |
| C38 | C48 | sing | 1.51Å | 1.52Å | |
| N20 | C18 | sing | 1.35Å | 1.37Å | |
| C43 | C48 | doub | 1.38Å | 1.39Å | Aromatic |
| C43 | C44 | sing | 1.39Å | 1.40Å | Aromatic |
| C48 | C47 | sing | 1.38Å | 1.39Å | Aromatic |
| C44 | C45 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C10 | sing | 1.51Å | 1.51Å | |
| C18 | O19 | doub | 1.21Å | 1.22Å | |
| C47 | C46 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C12 | sing | 1.53Å | 1.55Å | |
| C10 | N9 | sing | 1.46Å | 1.45Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C17 | C12 | sing | 1.53Å | 1.53Å | |
| C45 | C46 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| O8 | C7 | doub | 1.21Å | 1.21Å | |
| N9 | C7 | sing | 1.35Å | 1.34Å | |
| C7 | C3 | sing | 1.51Å | 1.49Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | N5 | sing | 1.47Å | 1.48Å | |
| N5 | C6 | sing | 1.47Å | 1.49Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| N5 | H7 | sing | 1.01Å | 1.00Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| N9 | H12 | sing | 0.97Å | 1.00Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.08Å | 1.08Å | |
| C27 | H31 | sing | 1.08Å | 1.08Å | |
| C28 | H32 | sing | 1.08Å | 1.08Å | |
| C29 | H33 | sing | 1.08Å | 1.08Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| N37 | H37 | sing | 0.97Å | 1.00Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C40 | H39 | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H42 | sing | 1.09Å | 1.10Å | |
| C44 | H43 | sing | 1.08Å | 1.08Å | |
| C45 | H44 | sing | 1.08Å | 1.08Å | |
| C46 | H45 | sing | 1.08Å | 1.08Å | |
| C47 | H46 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C26 | 122.1° | 121.3° |
| C27 | C28 | C29 | 121.3° | 122.0° |
| C28 | C27 | H31 | 118.9° | 119.3° |
| C27 | C28 | H32 | 119.3° | 119.0° |
| C27 | C26 | C25 | 117.3° | 117.3° |
| C27 | C26 | H30 | 121.4° | 121.4° |
| C26 | C27 | H31 | 119.0° | 119.3° |
| C28 | C29 | C30 | 117.4° | 117.4° |
| C29 | C28 | H32 | 119.4° | 119.0° |
| C28 | C29 | H33 | 121.3° | 121.3° |
| C26 | C25 | C30 | 121.1° | 121.9° |
| C26 | C25 | C24 | 129.8° | 130.1° |
| C25 | C26 | H30 | 121.4° | 121.3° |
| C29 | C30 | C25 | 120.7° | 120.0° |
| C29 | C30 | N31 | 130.1° | 130.1° |
| C30 | C29 | H33 | 121.3° | 121.2° |
| C30 | C25 | C24 | 109.1° | 108.0° |
| C25 | C30 | N31 | 109.0° | 109.8° |
| C25 | C24 | C22 | 104.3° | 101.5° |
| C25 | C24 | H28 | 110.7° | 111.1° |
| C25 | C24 | H29 | 110.7° | 111.0° |
| C30 | N31 | C22 | 112.4° | 107.1° |
| C30 | N31 | C32 | 125.4° | 121.3° |
| C24 | C22 | N31 | 102.8° | 101.6° |
| C24 | C22 | C21 | 112.4° | 113.0° |
| C24 | C22 | H27 | 112.8° | 111.7° |
| C22 | C24 | H28 | 110.8° | 111.1° |
| C22 | C24 | H29 | 110.8° | 111.0° |
| C22 | N31 | C32 | 118.3° | 112.1° |
| N31 | C22 | C21 | 100.8° | 106.6° |
| N31 | C22 | H27 | 113.9° | 111.8° |
| N31 | C32 | C33 | 110.9° | 106.2° |
| N31 | C32 | H34 | 109.1° | 109.9° |
| N31 | C32 | H35 | 109.1° | 109.8° |
| C22 | C21 | N20 | 107.9° | 106.6° |
| C22 | C21 | H25 | 109.9° | 110.0° |
| C22 | C21 | H26 | 109.9° | 110.1° |
| C21 | C22 | H27 | 113.1° | 111.6° |
| C40 | C41 | O42 | 107.0° | 108.4° |
| C41 | C40 | C38 | 111.1° | 108.3° |
| C41 | C40 | H39 | 109.0° | 109.7° |
| C41 | C40 | H40 | 109.1° | 109.7° |
| C40 | C41 | H41 | 110.1° | 109.7° |
| C40 | C41 | H42 | 110.1° | 109.7° |
| C41 | O42 | C43 | 116.9° | 117.8° |
| O42 | C41 | H41 | 110.1° | 109.7° |
| O42 | C41 | H42 | 110.1° | 109.7° |
| C32 | C33 | C35 | 109.6° | 109.4° |
| C32 | C33 | N20 | 115.4° | 111.1° |
| C33 | C32 | H34 | 109.1° | 111.3° |
| C33 | C32 | H35 | 109.1° | 109.5° |
| C32 | C33 | H36 | 107.2° | 109.4° |
| C40 | C38 | N37 | 109.8° | 109.4° |
| C40 | C38 | C48 | 112.4° | 109.7° |
| C40 | C38 | H38 | 107.9° | 109.4° |
| C38 | C40 | H39 | 109.1° | 109.7° |
| C38 | C40 | H40 | 109.1° | 109.7° |
| O42 | C43 | C48 | 120.3° | 121.8° |
| O42 | C43 | C44 | 119.0° | 118.5° |
| C21 | N20 | C33 | 119.5° | 119.9° |
| C21 | N20 | C18 | 120.7° | 120.1° |
| N20 | C21 | H25 | 109.8° | 110.0° |
| N20 | C21 | H26 | 109.9° | 110.0° |
| C35 | C33 | N20 | 108.3° | 110.6° |
| C33 | C35 | N37 | 117.6° | 120.0° |
| C33 | C35 | O36 | 120.5° | 120.0° |
| C35 | C33 | H36 | 107.7° | 109.4° |
| C33 | N20 | C18 | 119.8° | 120.0° |
| N20 | C33 | H36 | 108.3° | 106.9° |
| N37 | C35 | O36 | 121.9° | 120.0° |
| C35 | N37 | C38 | 123.0° | 119.9° |
| C35 | N37 | H37 | 118.5° | 120.1° |
| N37 | C38 | C48 | 109.7° | 109.4° |
| C38 | N37 | H37 | 118.5° | 120.0° |
| N37 | C38 | H38 | 108.8° | 109.5° |
| C38 | C48 | C43 | 121.2° | 121.4° |
| C38 | C48 | C47 | 119.4° | 118.8° |
| C48 | C38 | H38 | 108.2° | 109.4° |
| N20 | C18 | C10 | 122.4° | 120.0° |
| N20 | C18 | O19 | 120.1° | 120.0° |
| C48 | C43 | C44 | 120.8° | 119.7° |
| C43 | C48 | C47 | 119.4° | 119.8° |
| C43 | C44 | C45 | 119.2° | 120.2° |
| C43 | C44 | H43 | 120.4° | 119.9° |
| C48 | C47 | C46 | 120.1° | 120.3° |
| C48 | C47 | H46 | 119.9° | 119.8° |
| C44 | C45 | C46 | 120.1° | 120.0° |
| C45 | C44 | H43 | 120.4° | 119.9° |
| C44 | C45 | H44 | 119.9° | 120.0° |
| C10 | C18 | O19 | 117.4° | 120.1° |
| C18 | C10 | C12 | 115.0° | 109.4° |
| C18 | C10 | N9 | 111.8° | 109.5° |
| C18 | C10 | H13 | 111.3° | 109.5° |
| C47 | C46 | C45 | 120.4° | 120.0° |
| C47 | C46 | H45 | 119.8° | 120.0° |
| C46 | C47 | H46 | 120.0° | 119.8° |
| C12 | C10 | N9 | 95.1° | 109.5° |
| C10 | C12 | C13 | 115.9° | 109.5° |
| C10 | C12 | C17 | 110.5° | 109.5° |
| C12 | C10 | H13 | 110.7° | 109.4° |
| C10 | C12 | H14 | 105.2° | 109.5° |
| C10 | N9 | C7 | 125.6° | 120.0° |
| C10 | N9 | H12 | 117.2° | 120.1° |
| N9 | C10 | H13 | 112.1° | 109.5° |
| C12 | C13 | C14 | 111.5° | 109.5° |
| C13 | C12 | C17 | 113.6° | 109.4° |
| C13 | C12 | H14 | 105.3° | 109.5° |
| C12 | C13 | H15 | 109.0° | 109.4° |
| C12 | C13 | H16 | 109.0° | 109.5° |
| C13 | C14 | C15 | 113.4° | 109.5° |
| C14 | C13 | H15 | 109.0° | 109.5° |
| C14 | C13 | H16 | 109.0° | 109.5° |
| C13 | C14 | H17 | 108.5° | 109.5° |
| C13 | C14 | H18 | 108.4° | 109.5° |
| C16 | C17 | C12 | 112.1° | 109.5° |
| C17 | C16 | C15 | 112.8° | 109.5° |
| C17 | C16 | H21 | 108.6° | 109.4° |
| C17 | C16 | H22 | 108.6° | 109.5° |
| C16 | C17 | H23 | 108.8° | 109.5° |
| C16 | C17 | H24 | 108.8° | 109.5° |
| C17 | C12 | H14 | 105.3° | 109.4° |
| C12 | C17 | H23 | 108.8° | 109.5° |
| C12 | C17 | H24 | 108.8° | 109.5° |
| C46 | C45 | H44 | 119.9° | 120.0° |
| C45 | C46 | H45 | 119.8° | 120.0° |
| C16 | C15 | C14 | 111.3° | 109.5° |
| C16 | C15 | H19 | 109.0° | 109.5° |
| C16 | C15 | H20 | 109.0° | 109.5° |
| C15 | C16 | H21 | 108.6° | 109.5° |
| C15 | C16 | H22 | 108.6° | 109.5° |
| C15 | C14 | H17 | 108.5° | 109.4° |
| C15 | C14 | H18 | 108.5° | 109.5° |
| C14 | C15 | H19 | 109.0° | 109.5° |
| C14 | C15 | H20 | 109.0° | 109.4° |
| O8 | C7 | N9 | 121.9° | 120.0° |
| O8 | C7 | C3 | 119.1° | 120.0° |
| N9 | C7 | C3 | 119.0° | 120.0° |
| C7 | N9 | H12 | 117.2° | 119.9° |
| C7 | C3 | C2 | 109.6° | 109.5° |
| C7 | C3 | N5 | 111.3° | 109.5° |
| C7 | C3 | H6 | 109.5° | 109.5° |
| C1 | C2 | C3 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C1 | C2 | H4 | 109.4° | 109.5° |
| C1 | C2 | H5 | 109.5° | 109.4° |
| C2 | C3 | N5 | 107.7° | 109.4° |
| C3 | C2 | H4 | 109.5° | 109.5° |
| C3 | C2 | H5 | 109.5° | 109.5° |
| C2 | C3 | H6 | 109.0° | 109.5° |
| C3 | N5 | C6 | 113.8° | 111.0° |
| N5 | C3 | H6 | 109.7° | 109.4° |
| C3 | N5 | H7 | 108.4° | 111.0° |
| C6 | N5 | H7 | 108.4° | 110.9° |
| N5 | C6 | H9 | 109.5° | 109.4° |
| N5 | C6 | H10 | 109.5° | 109.5° |
| N5 | C6 | H11 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.4° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| H9 | C6 | H11 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.4° | 109.5° |
| H15 | C13 | H16 | 109.4° | 109.5° |
| H17 | C14 | H18 | 109.5° | 109.5° |
| H19 | C15 | H20 | 109.5° | 109.5° |
| H21 | C16 | H22 | 109.5° | 109.4° |
| H23 | C17 | H24 | 109.5° | 109.4° |
| H25 | C21 | H26 | 109.4° | 110.0° |
| H28 | C24 | H29 | 109.4° | 110.9° |
| H34 | C32 | H35 | 109.4° | 109.9° |
| H39 | C40 | H40 | 109.5° | 109.7° |
| H41 | C41 | H42 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C26 | H31 | 180.0° | 180.0° |
| C27 | C28 | C29 | H32 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 0.4° | 0.0° |
| C27 | C28 | C29 | C30 | 0.9° | 0.0° |
| C28 | C27 | C26 | H30 | 179.6° | 180.0° |
| C27 | C28 | C29 | H33 | 179.0° | 179.9° |
| C26 | C27 | C28 | C29 | 0.3° | 0.4° |
| C27 | C26 | C25 | H30 | 180.0° | 180.0° |
| C27 | C26 | C25 | C30 | 0.8° | 0.8° |
| C27 | C26 | C25 | C24 | 179.5° | 179.7° |
| C26 | C27 | C28 | H32 | 179.7° | 179.6° |
| C28 | C29 | C30 | H33 | 180.0° | 179.9° |
| C28 | C29 | C30 | C25 | 2.1° | 0.8° |
| C28 | C29 | C30 | N31 | 176.6° | 177.0° |
| C29 | C28 | C27 | H31 | 179.7° | 179.6° |
| C26 | C25 | C30 | C29 | 2.1° | 1.3° |
| C26 | C25 | C30 | C24 | 179.8° | 179.6° |
| C26 | C25 | C30 | N31 | 177.6° | 176.9° |
| C26 | C25 | C24 | C22 | 172.8° | 162.0° |
| C26 | C25 | C24 | H28 | 53.5° | 79.9° |
| C26 | C25 | C24 | H29 | 68.0° | 44.0° |
| C25 | C26 | C27 | H31 | 179.6° | 180.0° |
| C29 | C30 | C25 | N31 | 175.5° | 178.2° |
| C29 | C30 | C25 | C24 | 178.1° | 179.2° |
| C29 | C30 | N31 | C22 | 173.0° | 158.1° |
| C29 | C30 | N31 | C32 | 15.6° | 27.7° |
| C30 | C29 | C28 | H32 | 179.0° | 180.0° |
| C30 | C25 | C24 | C22 | 7.0° | 18.5° |
| C25 | C30 | N31 | C22 | 12.1° | 23.9° |
| C25 | C30 | N31 | C32 | 169.4° | 154.3° |
| C30 | C25 | C24 | H28 | 126.2° | 99.7° |
| C30 | C25 | C24 | H29 | 112.2° | 136.5° |
| C30 | C25 | C26 | H30 | 179.2° | 179.1° |
| C25 | C30 | C29 | H33 | 177.9° | 179.3° |
| C24 | C25 | C30 | N31 | 2.6° | 2.6° |
| C25 | C24 | C22 | H28 | 119.2° | 118.1° |
| C25 | C24 | C22 | H29 | 119.2° | 118.1° |
| C25 | C24 | C22 | N31 | 13.0° | 30.9° |
| C25 | C24 | C22 | C21 | 120.5° | 144.7° |
| C25 | C24 | C22 | H27 | 110.1° | 88.5° |
| C25 | C24 | H28 | H29 | 122.4° | 123.9° |
| C24 | C25 | C26 | H30 | 0.5° | 0.3° |
| C30 | N31 | C22 | C24 | 15.8° | 34.4° |
| C30 | N31 | C22 | C32 | 159.1° | 135.4° |
| C30 | N31 | C22 | C21 | 132.0° | 153.0° |
| C30 | N31 | C32 | C33 | 178.3° | 167.1° |
| C30 | N31 | C22 | H27 | 106.6° | 84.9° |
| N31 | C30 | C29 | H33 | 3.4° | 2.9° |
| C30 | N31 | C32 | H34 | 61.5° | 46.6° |
| C30 | N31 | C32 | H35 | 58.1° | 74.5° |
| C24 | C22 | N31 | C21 | 116.2° | 118.5° |
| C24 | C22 | N31 | H27 | 122.4° | 119.3° |
| C24 | C22 | N31 | C32 | 175.0° | 169.8° |
| C24 | C22 | C21 | H27 | 129.2° | 126.9° |
| C24 | C22 | C21 | N20 | 176.2° | 168.3° |
| C24 | C22 | C21 | H25 | 64.1° | 49.1° |
| C24 | C22 | C21 | H26 | 56.4° | 72.4° |
| C22 | C24 | H28 | H29 | 122.4° | 123.9° |
| N31 | C22 | C21 | H27 | 122.0° | 122.3° |
| C22 | N31 | C32 | C33 | 22.1° | 64.7° |
| N31 | C22 | C21 | N20 | 67.3° | 57.6° |
| N31 | C22 | C21 | H25 | 172.9° | 61.7° |
| N31 | C22 | C21 | H26 | 52.4° | 176.8° |
| N31 | C22 | C24 | H28 | 132.2° | 87.2° |
| N31 | C22 | C24 | H29 | 106.2° | 148.9° |
| C22 | N31 | C32 | H34 | 142.4° | 174.7° |
| C22 | N31 | C32 | H35 | 98.1° | 53.7° |
| C32 | N31 | C22 | C21 | 68.9° | 71.7° |
| N31 | C32 | C33 | H34 | 120.2° | 119.6° |
| N31 | C32 | C33 | H35 | 120.2° | 118.6° |
| N31 | C32 | C33 | C35 | 98.0° | 170.9° |
| N31 | C32 | C33 | N20 | 24.6° | 48.6° |
| C32 | N31 | C22 | H27 | 52.6° | 50.5° |
| N31 | C32 | H34 | H35 | 119.4° | 121.0° |
| N31 | C32 | C33 | H36 | 145.3° | 69.1° |
| C22 | C21 | N20 | H25 | 119.8° | 119.3° |
| C22 | C21 | N20 | H26 | 119.8° | 119.3° |
| C22 | C21 | N20 | C33 | 26.7° | 50.0° |
| C22 | C21 | N20 | C18 | 152.9° | 129.7° |
| C22 | C21 | H25 | H26 | 120.7° | 121.5° |
| C21 | C22 | C24 | H28 | 120.3° | 26.6° |
| C21 | C22 | C24 | H29 | 1.4° | 97.2° |
| C40 | C41 | O42 | H41 | 119.6° | 119.8° |
| C40 | C41 | O42 | H42 | 119.6° | 119.7° |
| C41 | C40 | C38 | H39 | 120.2° | 119.7° |
| C41 | C40 | C38 | H40 | 120.2° | 119.7° |
| C40 | C41 | O42 | C43 | 59.5° | 49.2° |
| C41 | C40 | C38 | N37 | 89.6° | 168.2° |
| C41 | C40 | C38 | C48 | 32.9° | 48.2° |
| C41 | C40 | C38 | H38 | 152.0° | 71.9° |
| C41 | C40 | H39 | H40 | 119.3° | 120.6° |
| C40 | C41 | H41 | H42 | 121.2° | 120.6° |
| O42 | C41 | C40 | C38 | 60.0° | 64.7° |
| C41 | O42 | C43 | C48 | 29.4° | 17.1° |
| C41 | O42 | C43 | C44 | 149.9° | 162.9° |
| O42 | C41 | C40 | H39 | 60.2° | 55.0° |
| O42 | C41 | C40 | H40 | 179.8° | 175.5° |
| O42 | C41 | H41 | H42 | 121.1° | 120.5° |
| C32 | C33 | N20 | C21 | 21.3° | 45.8° |
| C32 | C33 | C35 | N20 | 126.7° | 122.7° |
| C32 | C33 | C35 | H36 | 116.3° | 119.9° |
| C32 | C33 | N20 | H36 | 120.1° | 119.3° |
| C32 | C33 | C35 | N37 | 75.0° | 96.0° |
| C32 | C33 | C35 | O36 | 104.7° | 84.0° |
| C32 | C33 | N20 | C18 | 159.2° | 133.8° |
| C33 | C32 | H34 | H35 | 119.3° | 121.6° |
| C40 | C38 | N37 | C35 | 87.2° | 154.8° |
| C40 | C38 | N37 | C48 | 124.0° | 120.2° |
| C40 | C38 | N37 | H38 | 117.9° | 119.9° |
| C40 | C38 | C48 | H38 | 119.0° | 120.0° |
| C40 | C38 | C48 | C43 | 2.4° | 17.7° |
| C40 | C38 | C48 | C47 | 176.6° | 162.3° |
| C40 | C38 | N37 | H37 | 92.8° | 25.2° |
| C38 | C40 | H39 | H40 | 119.3° | 120.6° |
| C38 | C40 | C41 | H41 | 59.6° | 175.5° |
| C38 | C40 | C41 | H42 | 179.6° | 55.0° |
| O42 | C43 | C48 | C38 | 1.2° | 0.3° |
| O42 | C43 | C48 | C44 | 179.2° | 179.9° |
| O42 | C43 | C48 | C47 | 179.7° | 179.7° |
| O42 | C43 | C44 | C45 | 179.6° | 179.7° |
| C43 | O42 | C41 | H41 | 60.1° | 168.9° |
| C43 | O42 | C41 | H42 | 179.1° | 70.6° |
| O42 | C43 | C44 | H43 | 0.5° | 0.2° |
| C21 | N20 | C33 | C35 | 102.0° | 167.5° |
| C21 | N20 | C33 | C18 | 179.5° | 179.7° |
| C21 | N20 | C18 | C10 | 0.0° | 4.6° |
| C21 | N20 | C18 | O19 | 178.8° | 175.2° |
| N20 | C21 | H25 | H26 | 120.7° | 121.4° |
| N20 | C21 | C22 | H27 | 54.7° | 64.8° |
| C21 | N20 | C33 | H36 | 141.4° | 73.4° |
| C35 | C33 | N20 | H36 | 116.6° | 119.0° |
| C33 | C35 | N37 | O36 | 179.7° | 180.0° |
| C33 | C35 | N37 | C38 | 178.8° | 180.0° |
| C35 | C33 | N20 | C18 | 77.5° | 12.1° |
| C35 | C33 | C32 | H34 | 141.7° | 69.4° |
| C35 | C33 | C32 | H35 | 22.2° | 52.4° |
| C33 | C35 | N37 | H37 | 1.2° | 0.0° |
| N20 | C33 | C35 | N37 | 158.2° | 141.4° |
| N20 | C33 | C35 | O36 | 22.0° | 38.6° |
| C33 | N20 | C18 | C10 | 179.5° | 175.0° |
| C33 | N20 | C18 | O19 | 0.7° | 5.1° |
| C33 | N20 | C21 | H25 | 146.4° | 69.3° |
| C33 | N20 | C21 | H26 | 93.1° | 169.3° |
| N20 | C33 | C32 | H34 | 95.6° | 168.2° |
| N20 | C33 | C32 | H35 | 144.8° | 70.0° |
| C35 | N37 | C38 | H37 | 180.0° | 180.0° |
| C35 | N37 | C38 | C48 | 148.8° | 85.0° |
| N37 | C35 | C33 | H36 | 41.3° | 23.9° |
| C35 | N37 | C38 | H38 | 30.7° | 34.9° |
| O36 | C35 | N37 | C38 | 1.4° | 0.0° |
| O36 | C35 | C33 | H36 | 139.0° | 156.1° |
| O36 | C35 | N37 | H37 | 178.5° | 180.0° |
| N37 | C38 | C48 | H38 | 118.5° | 120.0° |
| N37 | C38 | C48 | C43 | 120.0° | 137.7° |
| N37 | C38 | C48 | C47 | 60.9° | 42.3° |
| N37 | C38 | C40 | H39 | 150.2° | 48.5° |
| N37 | C38 | C40 | H40 | 30.7° | 72.1° |
| C38 | C48 | C43 | C47 | 179.1° | 180.0° |
| C38 | C48 | C43 | C44 | 179.5° | 179.7° |
| C38 | C48 | C47 | C46 | 179.9° | 179.8° |
| C48 | C38 | N37 | H37 | 31.2° | 95.0° |
| C48 | C38 | C40 | H39 | 87.4° | 71.5° |
| C48 | C38 | C40 | H40 | 153.1° | 167.9° |
| C38 | C48 | C47 | H46 | 0.1° | 0.2° |
| N20 | C18 | C10 | O19 | 178.9° | 179.9° |
| N20 | C18 | C10 | C12 | 94.7° | 99.2° |
| N20 | C18 | C10 | N9 | 158.4° | 140.9° |
| N20 | C18 | C10 | H13 | 32.2° | 20.8° |
| C18 | N20 | C21 | H25 | 33.1° | 111.0° |
| C18 | N20 | C21 | H26 | 87.3° | 10.4° |
| C18 | N20 | C33 | H36 | 39.1° | 106.9° |
| C48 | C43 | C44 | C45 | 0.3° | 0.3° |
| C43 | C48 | C47 | C46 | 0.8° | 0.2° |
| C43 | C48 | C38 | H38 | 121.5° | 102.3° |
| C48 | C43 | C44 | H43 | 179.7° | 179.8° |
| C43 | C48 | C47 | H46 | 179.2° | 179.8° |
| C44 | C43 | C48 | C47 | 0.5° | 0.3° |
| C43 | C44 | C45 | H43 | 180.0° | 179.9° |
| C43 | C44 | C45 | C46 | 0.5° | 0.1° |
| C43 | C44 | C45 | H44 | 179.5° | 179.9° |
| C48 | C47 | C46 | H46 | 180.0° | 179.9° |
| C48 | C47 | C46 | C45 | 1.0° | 0.1° |
| C47 | C48 | C38 | H38 | 57.6° | 77.7° |
| C48 | C47 | C46 | H45 | 179.1° | 179.9° |
| C44 | C45 | C46 | C47 | 0.8° | 0.1° |
| C44 | C45 | C46 | H44 | 180.0° | 180.0° |
| C44 | C45 | C46 | H45 | 179.2° | 179.9° |
| C18 | C10 | C12 | N9 | 116.9° | 120.0° |
| C18 | C10 | C12 | H13 | 127.1° | 120.0° |
| C18 | C10 | N9 | H13 | 125.7° | 120.1° |
| C18 | C10 | C12 | C13 | 8.4° | 179.5° |
| C18 | C10 | C12 | C17 | 139.4° | 59.6° |
| C18 | C10 | N9 | C7 | 131.7° | 155.1° |
| C18 | C10 | N9 | H12 | 48.3° | 24.9° |
| C18 | C10 | C12 | H14 | 107.4° | 60.4° |
| O19 | C18 | C10 | C12 | 84.2° | 81.0° |
| O19 | C18 | C10 | N9 | 22.8° | 39.0° |
| O19 | C18 | C10 | H13 | 149.0° | 159.1° |
| C47 | C46 | C45 | H45 | 180.0° | 180.0° |
| C47 | C46 | C45 | H44 | 179.2° | 179.9° |
| C12 | C10 | N9 | H13 | 114.8° | 119.9° |
| C10 | C12 | C13 | C17 | 129.5° | 120.0° |
| C10 | C12 | C13 | H14 | 115.8° | 120.0° |
| C10 | C12 | C13 | C14 | 173.9° | 180.0° |
| C10 | C12 | C17 | C16 | 175.7° | 180.0° |
| C10 | C12 | C17 | H14 | 113.1° | 120.0° |
| C12 | C10 | N9 | C7 | 108.8° | 85.0° |
| C12 | C10 | N9 | H12 | 71.2° | 95.1° |
| C10 | C12 | C13 | H15 | 53.6° | 60.0° |
| C10 | C12 | C13 | H16 | 65.8° | 60.0° |
| C10 | C12 | C17 | H23 | 63.9° | 60.0° |
| C10 | C12 | C17 | H24 | 55.3° | 60.0° |
| N9 | C10 | C12 | C13 | 125.4° | 59.6° |
| N9 | C10 | C12 | C17 | 103.7° | 60.4° |
| C10 | N9 | C7 | O8 | 2.2° | 0.0° |
| C10 | N9 | C7 | H12 | 180.0° | 180.0° |
| C10 | N9 | C7 | C3 | 178.1° | 180.0° |
| N9 | C10 | C12 | H14 | 9.5° | 179.6° |
| C12 | C13 | C14 | H15 | 120.3° | 119.9° |
| C12 | C13 | C14 | H16 | 120.3° | 120.0° |
| C13 | C12 | C17 | C16 | 43.5° | 60.0° |
| C13 | C12 | C17 | H14 | 114.8° | 120.0° |
| C12 | C13 | C14 | C15 | 10.8° | 60.0° |
| C13 | C12 | C10 | H13 | 118.7° | 60.4° |
| C12 | C13 | H15 | H16 | 119.1° | 120.0° |
| C12 | C13 | C14 | H17 | 109.8° | 59.9° |
| C12 | C13 | C14 | H18 | 131.4° | 179.9° |
| C13 | C12 | C17 | H23 | 163.9° | 60.0° |
| C13 | C12 | C17 | H24 | 76.9° | 180.0° |
| C14 | C13 | C12 | C17 | 56.7° | 60.0° |
| C13 | C14 | C15 | C16 | 44.4° | 60.0° |
| C13 | C14 | C15 | H17 | 120.6° | 120.0° |
| C13 | C14 | C15 | H18 | 120.6° | 120.0° |
| C14 | C13 | C12 | H14 | 58.1° | 60.0° |
| C14 | C13 | H15 | H16 | 119.1° | 120.1° |
| C13 | C14 | H17 | H18 | 118.2° | 120.0° |
| C13 | C14 | C15 | H19 | 164.7° | 180.0° |
| C13 | C14 | C15 | H20 | 75.9° | 60.0° |
| C16 | C17 | C12 | H23 | 120.4° | 120.0° |
| C16 | C17 | C12 | H24 | 120.4° | 120.1° |
| C17 | C16 | C15 | H21 | 120.5° | 120.0° |
| C17 | C16 | C15 | H22 | 120.5° | 120.1° |
| C17 | C16 | C15 | C14 | 57.9° | 59.9° |
| C16 | C17 | C12 | H14 | 71.2° | 60.0° |
| C17 | C16 | C15 | H19 | 178.1° | 180.0° |
| C17 | C16 | C15 | H20 | 62.4° | 60.0° |
| C17 | C16 | H21 | H22 | 118.5° | 120.0° |
| C16 | C17 | H23 | H24 | 118.8° | 120.0° |
| C12 | C17 | C16 | C15 | 13.3° | 60.0° |
| C17 | C12 | C10 | H13 | 12.3° | 179.6° |
| C17 | C12 | C13 | H15 | 177.0° | 180.0° |
| C17 | C12 | C13 | H16 | 63.7° | 60.0° |
| C12 | C17 | C16 | H21 | 107.2° | 60.0° |
| C12 | C17 | C16 | H22 | 133.8° | 180.0° |
| C12 | C17 | H23 | H24 | 118.8° | 120.0° |
| C46 | C45 | C44 | H43 | 179.6° | 180.0° |
| C45 | C46 | C47 | H46 | 179.0° | 180.0° |
| C16 | C15 | C14 | H19 | 120.3° | 120.0° |
| C16 | C15 | C14 | H20 | 120.3° | 120.0° |
| C16 | C15 | C14 | H17 | 165.0° | 60.0° |
| C16 | C15 | C14 | H18 | 76.2° | 180.0° |
| C16 | C15 | H19 | H20 | 119.2° | 120.0° |
| C15 | C16 | H21 | H22 | 118.5° | 120.0° |
| C15 | C16 | C17 | H23 | 107.1° | 60.0° |
| C15 | C16 | C17 | H24 | 133.7° | 180.0° |
| C15 | C14 | C13 | H15 | 131.1° | 180.0° |
| C15 | C14 | C13 | H16 | 109.5° | 60.0° |
| C15 | C14 | H17 | H18 | 118.2° | 120.0° |
| C14 | C15 | H19 | H20 | 119.2° | 120.0° |
| C14 | C15 | C16 | H21 | 62.6° | 60.0° |
| C14 | C15 | C16 | H22 | 178.4° | 180.0° |
| O8 | C7 | N9 | C3 | 179.8° | 180.0° |
| O8 | C7 | C3 | C2 | 82.2° | 88.8° |
| O8 | C7 | C3 | N5 | 36.9° | 31.2° |
| O8 | C7 | C3 | H6 | 158.3° | 151.2° |
| O8 | C7 | N9 | H12 | 177.8° | 180.0° |
| N9 | C7 | C3 | C2 | 97.6° | 91.2° |
| N9 | C7 | C3 | N5 | 143.3° | 148.9° |
| N9 | C7 | C3 | H6 | 21.9° | 28.9° |
| C7 | N9 | C10 | H13 | 6.0° | 34.9° |
| C7 | C3 | C2 | C1 | 64.6° | 175.0° |
| C7 | C3 | C2 | N5 | 121.2° | 120.0° |
| C7 | C3 | C2 | H6 | 119.8° | 120.0° |
| C7 | C3 | N5 | H6 | 121.3° | 120.0° |
| C7 | C3 | N5 | C6 | 68.3° | 74.3° |
| C7 | C3 | C2 | H4 | 55.4° | 54.9° |
| C7 | C3 | C2 | H5 | 175.4° | 65.0° |
| C7 | C3 | N5 | H7 | 52.4° | 49.6° |
| C3 | C7 | N9 | H12 | 2.0° | 0.0° |
| C1 | C2 | C3 | H4 | 120.0° | 120.1° |
| C1 | C2 | C3 | H5 | 120.0° | 120.0° |
| C1 | C2 | C3 | N5 | 174.2° | 65.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.1° |
| C1 | C2 | H4 | H5 | 120.0° | 120.0° |
| C1 | C2 | C3 | H6 | 55.2° | 55.0° |
| C2 | C3 | N5 | H6 | 118.5° | 120.0° |
| C2 | C3 | N5 | C6 | 171.6° | 165.7° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H2 | 60.0° | 60.0° |
| C3 | C2 | C1 | H3 | 60.0° | 180.0° |
| C3 | C2 | H4 | H5 | 120.0° | 120.0° |
| C2 | C3 | N5 | H7 | 67.8° | 70.4° |
| C3 | N5 | C6 | H7 | 120.7° | 123.9° |
| N5 | C3 | C2 | H4 | 65.8° | 175.0° |
| N5 | C3 | C2 | H5 | 54.2° | 55.0° |
| C3 | N5 | C6 | H9 | 180.0° | 55.6° |
| C3 | N5 | C6 | H10 | 60.0° | 64.4° |
| C3 | N5 | C6 | H11 | 60.0° | 175.6° |
| C6 | N5 | C3 | H6 | 53.0° | 45.8° |
| N5 | C6 | H9 | H10 | 120.0° | 120.0° |
| N5 | C6 | H9 | H11 | 120.0° | 120.0° |
| N5 | C6 | H10 | H11 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 60.0° | 60.1° |
| H1 | C1 | C2 | H5 | 60.0° | 180.0° |
| H2 | C1 | C2 | H4 | 60.0° | 180.0° |
| H2 | C1 | C2 | H5 | 180.0° | 60.0° |
| H3 | C1 | C2 | H4 | 180.0° | 59.9° |
| H3 | C1 | C2 | H5 | 60.0° | 60.0° |
| H4 | C2 | C3 | H6 | 175.2° | 65.1° |
| H5 | C2 | C3 | H6 | 64.8° | 175.0° |
| H6 | C3 | N5 | H7 | 173.7° | 169.6° |
| H7 | N5 | C6 | H9 | 59.3° | 179.5° |
| H7 | N5 | C6 | H10 | 179.4° | 59.5° |
| H7 | N5 | C6 | H11 | 60.7° | 60.5° |
| H9 | C6 | H10 | H11 | 120.0° | 120.1° |
| H12 | N9 | C10 | H13 | 174.0° | 145.0° |
| H13 | C10 | C12 | H14 | 125.4° | 59.6° |
| H14 | C12 | C13 | H15 | 62.2° | 60.0° |
| H14 | C12 | C13 | H16 | 178.4° | 180.0° |
| H14 | C12 | C17 | H23 | 49.2° | 180.0° |
| H14 | C12 | C17 | H24 | 168.4° | 60.0° |
| H15 | C13 | C14 | H17 | 10.5° | 60.0° |
| H15 | C13 | C14 | H18 | 108.3° | 60.0° |
| H16 | C13 | C14 | H17 | 129.9° | 179.9° |
| H16 | C13 | C14 | H18 | 11.1° | 60.1° |
| H17 | C14 | C15 | H19 | 74.7° | 60.0° |
| H17 | C14 | C15 | H20 | 44.7° | 180.0° |
| H18 | C14 | C15 | H19 | 44.1° | 60.0° |
| H18 | C14 | C15 | H20 | 163.5° | 60.0° |
| H19 | C15 | C16 | H21 | 57.6° | 60.0° |
| H19 | C15 | C16 | H22 | 61.4° | 60.0° |
| H20 | C15 | C16 | H21 | 177.1° | 180.0° |
| H20 | C15 | C16 | H22 | 58.1° | 60.1° |
| H21 | C16 | C17 | H23 | 132.4° | 179.9° |
| H21 | C16 | C17 | H24 | 13.2° | 60.0° |
| H22 | C16 | C17 | H23 | 13.4° | 60.0° |
| H22 | C16 | C17 | H24 | 105.8° | 59.9° |
| H25 | C21 | C22 | H27 | 65.1° | 176.0° |
| H26 | C21 | C22 | H27 | 174.5° | 54.5° |
| H27 | C22 | C24 | H28 | 9.1° | 153.4° |
| H27 | C22 | C24 | H29 | 130.7° | 29.6° |
| H30 | C26 | C27 | H31 | 0.4° | 0.0° |
| H31 | C27 | C28 | H32 | 0.3° | 0.4° |
| H32 | C28 | C29 | H33 | 1.0° | 0.1° |
| H34 | C32 | C33 | H36 | 25.1° | 50.5° |
| H35 | C32 | C33 | H36 | 94.4° | 172.3° |
| H37 | N37 | C38 | H38 | 149.3° | 145.1° |
| H38 | C38 | C40 | H39 | 31.8° | 168.4° |
| H38 | C38 | C40 | H40 | 87.7° | 47.8° |
| H39 | C40 | C41 | H41 | 179.8° | 64.7° |
| H39 | C40 | C41 | H42 | 59.4° | 174.7° |
| H40 | C40 | C41 | H41 | 60.6° | 55.8° |
| H40 | C40 | C41 | H42 | 60.2° | 64.8° |
| H43 | C44 | C45 | H44 | 0.5° | 0.0° |
| H44 | C45 | C46 | H45 | 0.8° | 0.1° |
| H45 | C46 | C47 | H46 | 1.0° | 0.0° |
