Y35
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C1 | sing | 1.47Å | 1.44Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C2 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C8 | sing | 1.51Å | 1.49Å | |
| C8 | C12 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | N2 | sing | 1.47Å | 1.45Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | N2 | sing | 1.47Å | 1.45Å | |
| N2 | C13 | sing | 1.35Å | 1.33Å | |
| C13 | O1 | doub | 1.22Å | 1.21Å | |
| C13 | C14 | sing | 1.48Å | 1.49Å | |
| C14 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C44 | sing | 1.40Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C44 | C43 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | O4 | sing | 1.36Å | 1.37Å | |
| C16 | C17 | doub | 1.40Å | 1.47Å | Aromatic |
| O4 | B | sing | 1.38Å | 1.43Å | |
| C20 | C19 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C43 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | O2 | sing | 1.36Å | 1.37Å | |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | B | sing | 1.56Å | 1.48Å | |
| C18 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| B | O2 | sing | 1.38Å | 1.44Å | |
| B | O3 | sing | 1.37Å | 1.52Å | |
| C22 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C24 | sing | 1.48Å | 1.51Å | |
| O5 | C30 | doub | 1.22Å | 1.23Å | |
| C24 | C29 | doub | 1.39Å | 1.42Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.39Å | 1.41Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C30 | sing | 1.48Å | 1.52Å | |
| C28 | C27 | doub | 1.40Å | 1.39Å | Aromatic |
| C30 | N3 | sing | 1.35Å | 1.35Å | |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | N3 | sing | 1.47Å | 1.45Å | |
| C31 | C32 | sing | 1.54Å | 1.53Å | |
| N3 | C35 | sing | 1.47Å | 1.46Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C33 | C36 | sing | 1.51Å | 1.51Å | |
| C36 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| C36 | C42 | sing | 1.38Å | 1.38Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C42 | C41 | doub | 1.38Å | 1.38Å | Aromatic |
| N4 | C39 | sing | 1.47Å | 1.44Å | |
| C38 | C39 | sing | 1.51Å | 1.52Å | |
| C38 | C40 | doub | 1.38Å | 1.38Å | Aromatic |
| C41 | C40 | sing | 1.38Å | 1.37Å | Aromatic |
| C35 | H1 | sing | 1.09Å | 1.10Å | |
| C35 | H2 | sing | 1.09Å | 1.10Å | |
| C34 | H3 | sing | 1.09Å | 1.10Å | |
| C34 | H4 | sing | 1.09Å | 1.10Å | |
| C33 | H5 | sing | 1.09Å | 1.10Å | |
| C42 | H6 | sing | 1.08Å | 1.08Å | |
| C41 | H7 | sing | 1.08Å | 1.08Å | |
| C40 | H8 | sing | 1.08Å | 1.08Å | |
| C39 | H9 | sing | 1.09Å | 1.10Å | |
| C39 | H10 | sing | 1.09Å | 1.10Å | |
| N4 | H11 | sing | 1.01Å | 1.00Å | |
| N4 | H12 | sing | 1.01Å | 1.00Å | |
| C37 | H14 | sing | 1.08Å | 1.08Å | |
| C32 | H15 | sing | 1.09Å | 1.10Å | |
| C32 | H16 | sing | 1.09Å | 1.10Å | |
| C31 | H17 | sing | 1.09Å | 1.10Å | |
| C31 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.08Å | 1.08Å | |
| C26 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| C29 | H22 | sing | 1.08Å | 1.08Å | |
| C21 | H23 | sing | 1.08Å | 1.08Å | |
| C20 | H24 | sing | 1.08Å | 1.08Å | |
| C19 | H25 | sing | 1.08Å | 1.08Å | |
| C23 | H26 | sing | 1.08Å | 1.08Å | |
| C15 | H28 | sing | 1.08Å | 1.08Å | |
| C43 | H29 | sing | 1.08Å | 1.08Å | |
| C44 | H30 | sing | 1.08Å | 1.08Å | |
| C10 | H31 | sing | 1.09Å | 1.10Å | |
| C10 | H32 | sing | 1.09Å | 1.10Å | |
| C9 | H33 | sing | 1.09Å | 1.10Å | |
| C9 | H34 | sing | 1.09Å | 1.10Å | |
| C11 | H35 | sing | 1.09Å | 1.10Å | |
| C11 | H36 | sing | 1.09Å | 1.10Å | |
| C12 | H37 | sing | 1.09Å | 1.10Å | |
| C12 | H38 | sing | 1.09Å | 1.10Å | |
| C8 | H39 | sing | 1.09Å | 1.10Å | |
| C7 | H40 | sing | 1.08Å | 1.08Å | |
| C5 | H41 | sing | 1.08Å | 1.08Å | |
| C4 | H42 | sing | 1.08Å | 1.08Å | |
| C3 | H43 | sing | 1.08Å | 1.08Å | |
| C1 | H44 | sing | 1.09Å | 1.10Å | |
| C1 | H45 | sing | 1.09Å | 1.10Å | |
| N1 | H46 | sing | 1.01Å | 1.00Å | |
| N1 | H47 | sing | 1.01Å | 1.00Å | |
| O3 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | C5 | 119.9° | 120.0° |
| C4 | C3 | C2 | 119.8° | 120.1° |
| C3 | C4 | H42 | 120.1° | 120.0° |
| C4 | C3 | H43 | 120.1° | 120.0° |
| C4 | C5 | C6 | 120.4° | 120.0° |
| C4 | C5 | H41 | 119.8° | 120.0° |
| C5 | C4 | H42 | 120.0° | 120.0° |
| C3 | C2 | C1 | 118.8° | 120.0° |
| C3 | C2 | C7 | 120.5° | 120.0° |
| C2 | C3 | H43 | 120.1° | 120.0° |
| N1 | C1 | C2 | 109.2° | 109.5° |
| N1 | C1 | H44 | 109.6° | 109.5° |
| N1 | C1 | H45 | 109.5° | 109.5° |
| C1 | N1 | H46 | 109.5° | 111.0° |
| C1 | N1 | H47 | 109.4° | 111.0° |
| C5 | C6 | C7 | 119.8° | 120.0° |
| C5 | C6 | C8 | 118.6° | 120.0° |
| C6 | C5 | H41 | 119.8° | 120.0° |
| C1 | C2 | C7 | 120.7° | 120.0° |
| C2 | C1 | H44 | 109.5° | 109.4° |
| C2 | C1 | H45 | 109.6° | 109.4° |
| C2 | C7 | C6 | 119.6° | 120.0° |
| C2 | C7 | H40 | 120.2° | 120.0° |
| C7 | C6 | C8 | 121.7° | 120.0° |
| C6 | C7 | H40 | 120.2° | 120.0° |
| C6 | C8 | C12 | 111.8° | 109.5° |
| C6 | C8 | C9 | 111.0° | 109.6° |
| C6 | C8 | H39 | 108.1° | 109.4° |
| C12 | C8 | C9 | 110.6° | 109.7° |
| C8 | C12 | C11 | 109.6° | 109.3° |
| C8 | C12 | H37 | 109.5° | 109.6° |
| C8 | C12 | H38 | 109.4° | 109.5° |
| C12 | C8 | H39 | 107.7° | 109.5° |
| C8 | C9 | C10 | 109.6° | 109.3° |
| C8 | C9 | H33 | 109.5° | 109.5° |
| C8 | C9 | H34 | 109.4° | 109.6° |
| C9 | C8 | H39 | 107.5° | 109.2° |
| C12 | C11 | N2 | 104.9° | 108.7° |
| C12 | C11 | H35 | 110.6° | 109.6° |
| C12 | C11 | H36 | 110.6° | 109.7° |
| C11 | C12 | H37 | 109.4° | 109.5° |
| C11 | C12 | H38 | 109.4° | 109.5° |
| C11 | N2 | C10 | 114.8° | 118.8° |
| C11 | N2 | C13 | 123.8° | 120.6° |
| N2 | C11 | H35 | 110.6° | 109.6° |
| N2 | C11 | H36 | 110.6° | 109.6° |
| C9 | C10 | N2 | 103.3° | 108.8° |
| C9 | C10 | H31 | 111.0° | 109.6° |
| C9 | C10 | H32 | 111.0° | 109.7° |
| C10 | C9 | H33 | 109.4° | 109.5° |
| C10 | C9 | H34 | 109.5° | 109.4° |
| C10 | N2 | C13 | 121.4° | 120.6° |
| N2 | C10 | H31 | 111.0° | 109.6° |
| N2 | C10 | H32 | 111.0° | 109.6° |
| N2 | C13 | O1 | 122.6° | 120.0° |
| N2 | C13 | C14 | 116.6° | 120.0° |
| O1 | C13 | C14 | 120.8° | 120.0° |
| C13 | C14 | C15 | 115.7° | 120.0° |
| C13 | C14 | C44 | 121.6° | 120.1° |
| C15 | C14 | C44 | 122.7° | 119.9° |
| C14 | C15 | C16 | 118.1° | 119.7° |
| C14 | C15 | H28 | 120.9° | 120.2° |
| C14 | C44 | C43 | 120.7° | 120.0° |
| C14 | C44 | H30 | 119.7° | 120.0° |
| C15 | C16 | O4 | 129.6° | 133.0° |
| C15 | C16 | C17 | 119.8° | 120.1° |
| C16 | C15 | H28 | 121.0° | 120.1° |
| C44 | C43 | C17 | 117.7° | 120.1° |
| C44 | C43 | H29 | 121.1° | 120.0° |
| C43 | C44 | H30 | 119.6° | 120.0° |
| O4 | C16 | C17 | 110.6° | 106.9° |
| C16 | O4 | B | 104.2° | 105.9° |
| C16 | C17 | C43 | 121.1° | 120.2° |
| C16 | C17 | O2 | 107.6° | 106.9° |
| O4 | B | C18 | 105.7° | 110.2° |
| O4 | B | O2 | 110.9° | 105.6° |
| O4 | B | O3 | 115.6° | 110.2° |
| C19 | C20 | C21 | 118.4° | 120.1° |
| C20 | C19 | C18 | 119.3° | 120.2° |
| C19 | C20 | H24 | 120.8° | 119.9° |
| C20 | C19 | H25 | 120.3° | 119.8° |
| C20 | C21 | C22 | 123.8° | 119.9° |
| C20 | C21 | H23 | 118.1° | 120.1° |
| C21 | C20 | H24 | 120.8° | 120.0° |
| C19 | C18 | B | 117.7° | 119.9° |
| C19 | C18 | C23 | 122.2° | 120.2° |
| C18 | C19 | H25 | 120.4° | 119.9° |
| C43 | C17 | O2 | 131.3° | 132.9° |
| C17 | C43 | H29 | 121.2° | 120.0° |
| C17 | O2 | B | 105.8° | 106.0° |
| C21 | C22 | C23 | 117.3° | 119.7° |
| C21 | C22 | C24 | 116.2° | 120.2° |
| C22 | C21 | H23 | 118.1° | 120.0° |
| B | C18 | C23 | 120.2° | 119.9° |
| C18 | B | O2 | 103.0° | 110.2° |
| C18 | B | O3 | 101.1° | 110.3° |
| C18 | C23 | C22 | 119.0° | 119.9° |
| C18 | C23 | H26 | 120.5° | 120.1° |
| O2 | B | O3 | 118.3° | 110.2° |
| B | O3 | H13 | 109.5° | 114.0° |
| C23 | C22 | C24 | 126.5° | 120.1° |
| C22 | C23 | H26 | 120.5° | 120.0° |
| C22 | C24 | C29 | 126.8° | 120.0° |
| C22 | C24 | C25 | 114.0° | 120.1° |
| O5 | C30 | C28 | 117.3° | 120.0° |
| O5 | C30 | N3 | 119.5° | 120.0° |
| C29 | C24 | C25 | 119.3° | 119.9° |
| C24 | C29 | C28 | 119.8° | 119.7° |
| C24 | C29 | H22 | 120.1° | 120.1° |
| C24 | C25 | C26 | 120.8° | 120.2° |
| C24 | C25 | H21 | 119.6° | 119.9° |
| C29 | C28 | C30 | 125.4° | 120.0° |
| C29 | C28 | C27 | 118.8° | 119.9° |
| C28 | C29 | H22 | 120.1° | 120.2° |
| C25 | C26 | C27 | 119.6° | 120.2° |
| C25 | C26 | H20 | 120.2° | 119.9° |
| C26 | C25 | H21 | 119.6° | 119.9° |
| C30 | C28 | C27 | 115.7° | 120.1° |
| C28 | C30 | N3 | 123.1° | 120.0° |
| C28 | C27 | C26 | 121.6° | 120.1° |
| C28 | C27 | H19 | 119.2° | 120.0° |
| C30 | N3 | C31 | 121.5° | 120.6° |
| C30 | N3 | C35 | 125.5° | 120.6° |
| C26 | C27 | H19 | 119.2° | 119.9° |
| C27 | C26 | H20 | 120.2° | 119.9° |
| N3 | C31 | C32 | 107.2° | 108.5° |
| C31 | N3 | C35 | 113.0° | 118.8° |
| N3 | C31 | H17 | 110.0° | 109.6° |
| N3 | C31 | H18 | 110.0° | 109.6° |
| C31 | C32 | C33 | 112.4° | 109.3° |
| C31 | C32 | H15 | 108.7° | 109.7° |
| C31 | C32 | H16 | 108.7° | 109.5° |
| C32 | C31 | H17 | 110.0° | 109.8° |
| C32 | C31 | H18 | 110.0° | 109.7° |
| N3 | C35 | C34 | 105.2° | 108.8° |
| N3 | C35 | H1 | 110.5° | 109.6° |
| N3 | C35 | H2 | 110.5° | 109.6° |
| C35 | C34 | C33 | 111.8° | 109.3° |
| C34 | C35 | H1 | 110.5° | 109.6° |
| C34 | C35 | H2 | 110.5° | 109.6° |
| C35 | C34 | H3 | 108.9° | 109.5° |
| C35 | C34 | H4 | 108.9° | 109.5° |
| C32 | C33 | C34 | 109.3° | 109.5° |
| C32 | C33 | C36 | 114.8° | 109.5° |
| C32 | C33 | H5 | 107.1° | 109.4° |
| C33 | C32 | H15 | 108.7° | 109.5° |
| C33 | C32 | H16 | 108.7° | 109.4° |
| C34 | C33 | C36 | 110.8° | 109.5° |
| C33 | C34 | H3 | 108.9° | 109.5° |
| C33 | C34 | H4 | 108.9° | 109.5° |
| C34 | C33 | H5 | 107.1° | 109.5° |
| C33 | C36 | C37 | 125.9° | 120.0° |
| C33 | C36 | C42 | 116.3° | 120.0° |
| C36 | C33 | H5 | 107.4° | 109.5° |
| C37 | C36 | C42 | 117.8° | 120.1° |
| C36 | C37 | C38 | 120.7° | 120.0° |
| C36 | C37 | H14 | 119.6° | 120.1° |
| C36 | C42 | C41 | 121.4° | 120.0° |
| C36 | C42 | H6 | 119.3° | 120.0° |
| C37 | C38 | C39 | 123.0° | 120.0° |
| C37 | C38 | C40 | 119.8° | 120.0° |
| C38 | C37 | H14 | 119.7° | 120.0° |
| C42 | C41 | C40 | 120.5° | 120.0° |
| C41 | C42 | H6 | 119.3° | 120.0° |
| C42 | C41 | H7 | 119.7° | 120.0° |
| N4 | C39 | C38 | 110.7° | 109.5° |
| N4 | C39 | H9 | 109.2° | 109.4° |
| N4 | C39 | H10 | 109.1° | 109.5° |
| C39 | N4 | H11 | 109.5° | 111.0° |
| C39 | N4 | H12 | 109.5° | 111.0° |
| C39 | C38 | C40 | 117.2° | 120.0° |
| C38 | C39 | H9 | 109.1° | 109.4° |
| C38 | C39 | H10 | 109.2° | 109.5° |
| C38 | C40 | C41 | 119.8° | 120.0° |
| C38 | C40 | H8 | 120.1° | 120.0° |
| C40 | C41 | H7 | 119.7° | 120.0° |
| C41 | C40 | H8 | 120.1° | 120.0° |
| H1 | C35 | H2 | 109.5° | 109.7° |
| H3 | C34 | H4 | 109.5° | 109.5° |
| H9 | C39 | H10 | 109.5° | 109.5° |
| H11 | N4 | H12 | 109.5° | 111.0° |
| H15 | C32 | H16 | 109.5° | 109.5° |
| H17 | C31 | H18 | 109.5° | 109.7° |
| H31 | C10 | H32 | 109.5° | 109.5° |
| H33 | C9 | H34 | 109.5° | 109.5° |
| H35 | C11 | H36 | 109.5° | 109.6° |
| H37 | C12 | H38 | 109.5° | 109.5° |
| H44 | C1 | H45 | 109.4° | 109.4° |
| H46 | N1 | H47 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | C5 | H42 | 180.0° | 179.7° |
| C4 | C3 | C2 | H43 | 180.0° | 179.6° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C4 | C3 | C2 | C1 | 179.5° | 180.0° |
| C4 | C3 | C2 | C7 | 0.3° | 0.7° |
| C3 | C4 | C5 | H41 | 179.9° | 180.0° |
| C5 | C4 | C3 | C2 | 0.0° | 0.3° |
| C4 | C5 | C6 | H41 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.1° | 0.0° |
| C4 | C5 | C6 | C8 | 179.8° | 179.7° |
| C5 | C4 | C3 | H43 | 180.0° | 179.9° |
| C3 | C2 | C1 | N1 | 100.6° | 90.0° |
| C3 | C2 | C1 | C7 | 179.8° | 179.4° |
| C3 | C2 | C7 | C6 | 0.5° | 0.7° |
| C3 | C2 | C7 | H40 | 179.5° | 179.4° |
| C2 | C3 | C4 | H42 | 180.0° | 179.9° |
| C3 | C2 | C1 | H44 | 19.4° | 149.9° |
| C3 | C2 | C1 | H45 | 139.4° | 30.0° |
| N1 | C1 | C2 | H44 | 120.0° | 120.0° |
| N1 | C1 | C2 | H45 | 120.0° | 120.0° |
| N1 | C1 | C2 | C7 | 79.6° | 90.6° |
| N1 | C1 | H44 | H45 | 120.1° | 120.0° |
| C1 | N1 | H46 | H47 | 120.0° | 124.0° |
| C5 | C6 | C7 | C2 | 0.4° | 0.3° |
| C5 | C6 | C7 | C8 | 179.7° | 179.7° |
| C5 | C6 | C8 | C12 | 143.2° | 59.7° |
| C5 | C6 | C8 | C9 | 92.8° | 60.6° |
| C5 | C6 | C8 | H39 | 24.9° | 179.7° |
| C5 | C6 | C7 | H40 | 179.6° | 179.7° |
| C6 | C5 | C4 | H42 | 179.9° | 179.7° |
| C1 | C2 | C7 | C6 | 179.3° | 180.0° |
| C1 | C2 | C7 | H40 | 0.7° | 0.0° |
| C1 | C2 | C3 | H43 | 0.5° | 0.4° |
| C2 | C1 | H44 | H45 | 120.1° | 119.9° |
| C2 | C1 | N1 | H46 | 180.0° | 56.0° |
| C2 | C1 | N1 | H47 | 60.0° | 180.0° |
| C2 | C7 | C6 | H40 | 180.0° | 180.0° |
| C2 | C7 | C6 | C8 | 179.9° | 180.0° |
| C7 | C2 | C3 | H43 | 179.7° | 179.7° |
| C7 | C2 | C1 | H44 | 160.4° | 29.4° |
| C7 | C2 | C1 | H45 | 40.4° | 149.4° |
| C7 | C6 | C8 | C12 | 36.6° | 120.0° |
| C7 | C6 | C8 | C9 | 87.5° | 119.7° |
| C7 | C6 | C8 | H39 | 154.9° | 0.0° |
| C7 | C6 | C5 | H41 | 179.9° | 180.0° |
| C6 | C8 | C12 | C9 | 124.3° | 120.3° |
| C6 | C8 | C12 | H39 | 118.6° | 119.9° |
| C6 | C8 | C9 | H39 | 118.0° | 119.8° |
| C6 | C8 | C12 | C11 | 179.6° | 178.6° |
| C6 | C8 | C9 | C10 | 177.8° | 178.7° |
| C6 | C8 | C9 | H33 | 57.8° | 61.4° |
| C6 | C8 | C9 | H34 | 62.2° | 58.8° |
| C6 | C8 | C12 | H37 | 59.6° | 58.6° |
| C6 | C8 | C12 | H38 | 60.4° | 61.5° |
| C8 | C6 | C7 | H40 | 0.2° | 0.0° |
| C8 | C6 | C5 | H41 | 0.2° | 0.3° |
| C12 | C8 | C9 | H39 | 117.3° | 120.0° |
| C8 | C12 | C11 | H37 | 120.0° | 120.0° |
| C8 | C12 | C11 | H38 | 120.0° | 119.9° |
| C8 | C12 | C11 | N2 | 57.1° | 54.5° |
| C12 | C8 | C9 | C10 | 57.5° | 61.1° |
| C12 | C8 | C9 | H33 | 177.5° | 58.8° |
| C12 | C8 | C9 | H34 | 62.5° | 179.0° |
| C8 | C12 | C11 | H35 | 176.4° | 65.2° |
| C8 | C12 | C11 | H36 | 62.1° | 174.4° |
| C8 | C12 | H37 | H38 | 119.9° | 120.1° |
| C9 | C8 | C12 | C11 | 55.3° | 61.1° |
| C8 | C9 | C10 | H33 | 120.0° | 119.9° |
| C8 | C9 | C10 | H34 | 120.0° | 120.0° |
| C8 | C9 | C10 | N2 | 60.1° | 54.6° |
| C8 | C9 | C10 | H31 | 58.9° | 174.4° |
| C8 | C9 | C10 | H32 | 179.2° | 65.2° |
| C8 | C9 | H33 | H34 | 120.0° | 120.2° |
| C9 | C8 | C12 | H37 | 64.7° | 178.9° |
| C9 | C8 | C12 | H38 | 175.3° | 58.8° |
| C12 | C11 | N2 | H35 | 119.3° | 119.7° |
| C12 | C11 | N2 | H36 | 119.2° | 119.9° |
| C12 | C11 | N2 | C10 | 68.7° | 53.9° |
| C12 | C11 | N2 | C13 | 109.3° | 126.4° |
| C12 | C11 | H35 | H36 | 122.1° | 120.5° |
| C11 | C12 | H37 | H38 | 119.9° | 120.1° |
| C11 | C12 | C8 | H39 | 61.8° | 58.6° |
| C11 | N2 | C10 | C9 | 70.0° | 53.9° |
| C11 | N2 | C10 | C13 | 178.1° | 179.7° |
| C11 | N2 | C13 | O1 | 18.8° | 5.7° |
| C11 | N2 | C13 | C14 | 160.7° | 174.3° |
| C11 | N2 | C10 | H31 | 49.0° | 173.7° |
| C11 | N2 | C10 | H32 | 170.9° | 66.1° |
| N2 | C11 | H35 | H36 | 122.1° | 120.3° |
| N2 | C11 | C12 | H37 | 62.9° | 174.6° |
| N2 | C11 | C12 | H38 | 177.1° | 65.3° |
| C9 | C10 | N2 | H31 | 119.0° | 119.8° |
| C9 | C10 | N2 | H32 | 119.0° | 119.9° |
| C9 | C10 | N2 | C13 | 108.1° | 126.4° |
| C9 | C10 | H31 | H32 | 122.9° | 120.4° |
| C10 | C9 | H33 | H34 | 120.0° | 120.0° |
| C10 | C9 | C8 | H39 | 59.8° | 58.8° |
| C10 | N2 | C13 | O1 | 159.1° | 174.6° |
| C10 | N2 | C13 | C14 | 21.3° | 5.4° |
| N2 | C10 | H31 | H32 | 122.8° | 120.3° |
| N2 | C10 | C9 | H33 | 179.8° | 65.3° |
| N2 | C10 | C9 | H34 | 59.9° | 174.6° |
| C10 | N2 | C11 | H35 | 172.0° | 65.9° |
| C10 | N2 | C11 | H36 | 50.5° | 173.8° |
| N2 | C13 | O1 | C14 | 179.5° | 179.9° |
| N2 | C13 | C14 | C15 | 51.5° | 146.8° |
| N2 | C13 | C14 | C44 | 127.3° | 33.2° |
| C13 | N2 | C10 | H31 | 132.9° | 6.6° |
| C13 | N2 | C10 | H32 | 10.9° | 113.6° |
| C13 | N2 | C11 | H35 | 9.9° | 113.8° |
| C13 | N2 | C11 | H36 | 131.4° | 6.5° |
| O1 | C13 | C14 | C15 | 128.0° | 33.1° |
| O1 | C13 | C14 | C44 | 53.2° | 146.8° |
| C13 | C14 | C15 | C44 | 178.8° | 179.9° |
| C13 | C14 | C15 | C16 | 179.5° | 179.9° |
| C13 | C14 | C44 | C43 | 179.9° | 179.9° |
| C13 | C14 | C15 | H28 | 0.5° | 0.1° |
| C13 | C14 | C44 | H30 | 0.0° | 0.1° |
| C14 | C15 | C16 | H28 | 180.0° | 180.0° |
| C15 | C14 | C44 | C43 | 1.2° | 0.0° |
| C14 | C15 | C16 | O4 | 179.3° | 179.9° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C15 | C14 | C44 | H30 | 178.8° | 180.0° |
| C44 | C14 | C15 | C16 | 0.7° | 0.0° |
| C14 | C44 | C43 | H30 | 180.0° | 180.0° |
| C14 | C44 | C43 | C17 | 1.0° | 0.0° |
| C44 | C14 | C15 | H28 | 179.3° | 180.0° |
| C14 | C44 | C43 | H29 | 179.0° | 180.0° |
| C15 | C16 | O4 | C17 | 179.5° | 179.9° |
| C15 | C16 | O4 | B | 173.6° | 162.3° |
| C15 | C16 | C17 | C43 | 0.0° | 0.0° |
| C15 | C16 | C17 | O2 | 179.6° | 180.0° |
| C44 | C43 | C17 | C16 | 0.4° | 0.0° |
| C44 | C43 | C17 | H29 | 180.0° | 179.9° |
| C44 | C43 | C17 | O2 | 179.9° | 180.0° |
| O4 | C16 | C17 | C43 | 179.6° | 180.0° |
| O4 | C16 | C17 | O2 | 0.1° | 0.0° |
| C16 | O4 | B | C18 | 120.6° | 147.6° |
| C16 | O4 | B | O2 | 9.7° | 28.6° |
| C16 | O4 | B | O3 | 128.5° | 90.4° |
| O4 | C16 | C15 | H28 | 0.6° | 0.1° |
| C17 | C16 | O4 | B | 5.8° | 17.6° |
| C16 | C17 | C43 | O2 | 179.5° | 180.0° |
| C16 | C17 | O2 | B | 5.9° | 17.7° |
| C17 | C16 | C15 | H28 | 179.9° | 180.0° |
| C16 | C17 | C43 | H29 | 179.5° | 180.0° |
| O4 | B | C18 | C19 | 81.6° | 27.6° |
| O4 | B | O2 | C17 | 9.9° | 28.7° |
| O4 | B | C18 | O2 | 116.4° | 116.1° |
| O4 | B | C18 | O3 | 120.8° | 122.0° |
| O4 | B | C18 | C23 | 99.5° | 152.4° |
| O4 | B | O2 | O3 | 137.0° | 119.0° |
| O4 | B | O3 | H13 | 180.0° | 58.1° |
| C19 | C20 | C21 | H24 | 180.0° | 180.0° |
| C20 | C19 | C18 | H25 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.6° | 0.0° |
| C20 | C19 | C18 | B | 179.1° | 180.0° |
| C20 | C19 | C18 | C23 | 0.3° | 0.1° |
| C19 | C20 | C21 | H23 | 179.4° | 180.0° |
| C21 | C20 | C19 | C18 | 0.0° | 0.0° |
| C20 | C21 | C22 | H23 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 1.3° | 0.1° |
| C20 | C21 | C22 | C24 | 179.2° | 179.8° |
| C21 | C20 | C19 | H25 | 180.0° | 180.0° |
| C19 | C18 | B | C23 | 178.8° | 180.0° |
| C19 | C18 | B | O2 | 34.8° | 88.6° |
| C19 | C18 | B | O3 | 157.6° | 149.5° |
| C19 | C18 | C23 | C22 | 1.1° | 0.0° |
| C18 | C19 | C20 | H24 | 179.9° | 179.9° |
| C19 | C18 | C23 | H26 | 178.9° | 179.6° |
| C43 | C17 | O2 | B | 173.7° | 162.3° |
| C17 | C43 | C44 | H30 | 179.0° | 180.0° |
| C17 | O2 | B | C18 | 122.5° | 147.7° |
| C17 | O2 | B | O3 | 127.1° | 90.4° |
| O2 | C17 | C43 | H29 | 0.0° | 0.0° |
| C21 | C22 | C23 | C18 | 1.5° | 0.1° |
| C21 | C22 | C23 | C24 | 177.6° | 179.9° |
| C21 | C22 | C24 | C29 | 147.9° | 0.1° |
| C21 | C22 | C24 | C25 | 31.9° | 179.8° |
| C22 | C21 | C20 | H24 | 179.4° | 180.0° |
| C21 | C22 | C23 | H26 | 178.5° | 179.7° |
| C18 | B | O2 | O3 | 110.4° | 122.0° |
| B | C18 | C23 | C22 | 179.9° | 180.0° |
| B | C18 | C19 | H25 | 0.9° | 0.0° |
| B | C18 | C23 | H26 | 0.1° | 0.3° |
| C18 | B | O3 | H13 | 66.5° | 180.0° |
| C23 | C18 | B | O2 | 144.1° | 91.5° |
| C23 | C18 | B | O3 | 21.3° | 30.4° |
| C18 | C23 | C22 | H26 | 180.0° | 179.6° |
| C18 | C23 | C22 | C24 | 179.2° | 179.8° |
| C23 | C18 | C19 | H25 | 179.7° | 180.0° |
| O2 | B | O3 | H13 | 45.0° | 58.1° |
| C23 | C22 | C24 | C29 | 34.4° | 180.0° |
| C23 | C22 | C24 | C25 | 145.7° | 0.4° |
| C23 | C22 | C21 | H23 | 178.7° | 180.0° |
| C22 | C24 | C29 | C25 | 179.8° | 179.6° |
| C22 | C24 | C29 | C28 | 179.2° | 179.9° |
| C22 | C24 | C25 | C26 | 179.5° | 179.8° |
| C22 | C24 | C25 | H21 | 0.5° | 0.2° |
| C22 | C24 | C29 | H22 | 0.8° | 0.2° |
| C24 | C22 | C21 | H23 | 0.8° | 0.2° |
| C24 | C22 | C23 | H26 | 0.9° | 0.2° |
| O5 | C30 | C28 | C29 | 130.1° | 33.4° |
| O5 | C30 | C28 | N3 | 177.0° | 179.8° |
| O5 | C30 | C28 | C27 | 49.1° | 146.9° |
| O5 | C30 | N3 | C31 | 8.2° | 5.7° |
| O5 | C30 | N3 | C35 | 168.8° | 174.6° |
| C24 | C29 | C28 | H22 | 180.0° | 179.8° |
| C29 | C24 | C25 | C26 | 0.7° | 0.2° |
| C24 | C29 | C28 | C30 | 179.7° | 179.8° |
| C24 | C29 | C28 | C27 | 1.1° | 0.5° |
| C29 | C24 | C25 | H21 | 179.3° | 179.8° |
| C25 | C24 | C29 | C28 | 1.0° | 0.4° |
| C24 | C25 | C26 | H21 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.5° | 0.1° |
| C24 | C25 | C26 | H20 | 179.5° | 180.0° |
| C25 | C24 | C29 | H22 | 179.0° | 179.8° |
| C29 | C28 | C30 | C27 | 179.2° | 179.7° |
| C29 | C28 | C30 | N3 | 53.0° | 146.4° |
| C29 | C28 | C27 | C26 | 1.0° | 0.2° |
| C29 | C28 | C27 | H19 | 179.0° | 179.7° |
| C25 | C26 | C27 | C28 | 0.7° | 0.0° |
| C25 | C26 | C27 | H20 | 180.0° | 179.9° |
| C25 | C26 | C27 | H19 | 179.3° | 180.0° |
| C30 | C28 | C27 | C26 | 179.8° | 179.9° |
| C28 | C30 | N3 | C31 | 174.9° | 174.5° |
| C28 | C30 | N3 | C35 | 8.1° | 5.2° |
| C30 | C28 | C27 | H19 | 0.2° | 0.0° |
| C30 | C28 | C29 | H22 | 0.3° | 0.0° |
| C27 | C28 | C30 | N3 | 127.8° | 33.3° |
| C28 | C27 | C26 | H19 | 180.0° | 180.0° |
| C28 | C27 | C26 | H20 | 179.4° | 180.0° |
| C27 | C28 | C29 | H22 | 178.9° | 179.7° |
| C30 | N3 | C31 | C35 | 177.4° | 179.7° |
| C30 | N3 | C31 | C32 | 111.7° | 126.4° |
| C30 | N3 | C35 | C34 | 109.6° | 126.4° |
| C30 | N3 | C35 | H1 | 9.7° | 6.6° |
| C30 | N3 | C35 | H2 | 131.1° | 113.8° |
| C30 | N3 | C31 | H17 | 128.7° | 113.8° |
| C30 | N3 | C31 | H18 | 8.0° | 6.6° |
| C27 | C26 | C25 | H21 | 179.5° | 179.9° |
| N3 | C31 | C32 | H17 | 119.6° | 119.7° |
| N3 | C31 | C32 | H18 | 119.6° | 119.7° |
| C31 | N3 | C35 | C34 | 67.7° | 53.9° |
| N3 | C31 | C32 | C33 | 55.3° | 54.9° |
| C31 | N3 | C35 | H1 | 173.0° | 173.6° |
| C31 | N3 | C35 | H2 | 51.6° | 65.9° |
| N3 | C31 | C32 | H15 | 175.7° | 65.1° |
| N3 | C31 | C32 | H16 | 65.1° | 174.7° |
| N3 | C31 | H17 | H18 | 121.0° | 120.4° |
| C32 | C31 | N3 | C35 | 65.7° | 53.9° |
| C31 | C32 | C33 | H15 | 120.4° | 120.1° |
| C31 | C32 | C33 | H16 | 120.4° | 119.9° |
| C31 | C32 | C33 | C34 | 50.6° | 61.5° |
| C31 | C32 | C33 | C36 | 175.7° | 178.5° |
| C31 | C32 | C33 | H5 | 65.1° | 58.5° |
| C31 | C32 | H15 | H16 | 118.7° | 120.2° |
| C32 | C31 | H17 | H18 | 121.1° | 120.6° |
| N3 | C35 | C34 | H1 | 119.3° | 119.8° |
| N3 | C35 | C34 | H2 | 119.3° | 119.8° |
| N3 | C35 | C34 | C33 | 59.9° | 54.6° |
| N3 | C35 | H1 | H2 | 122.0° | 120.4° |
| N3 | C35 | C34 | H3 | 60.5° | 65.3° |
| N3 | C35 | C34 | H4 | 179.8° | 174.6° |
| C35 | N3 | C31 | H17 | 53.9° | 65.9° |
| C35 | N3 | C31 | H18 | 174.6° | 173.7° |
| C35 | C34 | C33 | C32 | 53.4° | 61.3° |
| C35 | C34 | C33 | H3 | 120.4° | 120.0° |
| C35 | C34 | C33 | H4 | 120.3° | 120.0° |
| C35 | C34 | C33 | C36 | 179.2° | 178.6° |
| C34 | C35 | H1 | H2 | 122.0° | 120.3° |
| C35 | C34 | H3 | H4 | 119.0° | 120.1° |
| C35 | C34 | C33 | H5 | 62.3° | 58.6° |
| C32 | C33 | C34 | C36 | 127.4° | 120.0° |
| C32 | C33 | C34 | H5 | 115.7° | 120.0° |
| C32 | C33 | C36 | H5 | 119.0° | 119.9° |
| C32 | C33 | C36 | C37 | 34.4° | 120.0° |
| C32 | C33 | C36 | C42 | 146.7° | 60.4° |
| C32 | C33 | C34 | H3 | 67.0° | 58.6° |
| C32 | C33 | C34 | H4 | 173.8° | 178.7° |
| C33 | C32 | H15 | H16 | 118.7° | 120.0° |
| C33 | C32 | C31 | H17 | 64.3° | 64.9° |
| C33 | C32 | C31 | H18 | 174.9° | 174.5° |
| C34 | C33 | C36 | H5 | 116.7° | 120.0° |
| C34 | C33 | C36 | C37 | 89.9° | 120.0° |
| C34 | C33 | C36 | C42 | 89.0° | 59.7° |
| C33 | C34 | C35 | H1 | 179.2° | 174.4° |
| C33 | C34 | C35 | H2 | 59.4° | 65.2° |
| C33 | C34 | H3 | H4 | 118.9° | 120.0° |
| C34 | C33 | C32 | H15 | 171.1° | 58.7° |
| C34 | C33 | C32 | H16 | 69.8° | 178.7° |
| C33 | C36 | C37 | C42 | 178.8° | 179.7° |
| C33 | C36 | C37 | C38 | 179.3° | 179.8° |
| C33 | C36 | C42 | C41 | 179.2° | 180.0° |
| C36 | C33 | C34 | H3 | 60.4° | 61.4° |
| C36 | C33 | C34 | H4 | 58.9° | 58.6° |
| C33 | C36 | C42 | H6 | 0.8° | 0.0° |
| C33 | C36 | C37 | H14 | 0.7° | 0.1° |
| C36 | C33 | C32 | H15 | 63.8° | 61.4° |
| C36 | C33 | C32 | H16 | 55.3° | 58.6° |
| C36 | C37 | C38 | H14 | 180.0° | 179.8° |
| C37 | C36 | C42 | C41 | 0.3° | 0.3° |
| C36 | C37 | C38 | C39 | 179.8° | 179.7° |
| C36 | C37 | C38 | C40 | 0.1° | 0.5° |
| C37 | C36 | C33 | H5 | 153.4° | 0.0° |
| C37 | C36 | C42 | H6 | 179.8° | 179.7° |
| C42 | C36 | C37 | C38 | 0.4° | 0.5° |
| C36 | C42 | C41 | H6 | 180.0° | 180.0° |
| C36 | C42 | C41 | C40 | 0.2° | 0.0° |
| C42 | C36 | C33 | H5 | 27.7° | 179.7° |
| C36 | C42 | C41 | H7 | 179.8° | 179.9° |
| C42 | C36 | C37 | H14 | 179.6° | 179.7° |
| C37 | C38 | C39 | N4 | 49.6° | 89.8° |
| C37 | C38 | C39 | C40 | 180.0° | 179.8° |
| C37 | C38 | C40 | C41 | 0.3° | 0.2° |
| C37 | C38 | C40 | H8 | 179.7° | 179.9° |
| C37 | C38 | C39 | H9 | 169.8° | 30.1° |
| C37 | C38 | C39 | H10 | 70.6° | 150.2° |
| C42 | C41 | C40 | C38 | 0.5° | 0.0° |
| C42 | C41 | C40 | H7 | 180.0° | 180.0° |
| C42 | C41 | C40 | H8 | 179.5° | 179.9° |
| N4 | C39 | C38 | H9 | 120.2° | 119.9° |
| N4 | C39 | C38 | H10 | 120.2° | 120.0° |
| N4 | C39 | C38 | C40 | 130.4° | 90.0° |
| N4 | C39 | H9 | H10 | 119.4° | 120.0° |
| C39 | N4 | H11 | H12 | 120.1° | 124.0° |
| C39 | C38 | C40 | C41 | 179.7° | 180.0° |
| C39 | C38 | C40 | H8 | 0.3° | 0.1° |
| C38 | C39 | H9 | H10 | 119.5° | 120.0° |
| C38 | C39 | N4 | H11 | 180.0° | 56.0° |
| C38 | C39 | N4 | H12 | 60.0° | 179.9° |
| C39 | C38 | C37 | H14 | 0.2° | 0.1° |
| C38 | C40 | C41 | H8 | 180.0° | 179.9° |
| C38 | C40 | C41 | H7 | 179.5° | 180.0° |
| C40 | C38 | C39 | H9 | 10.2° | 150.1° |
| C40 | C38 | C39 | H10 | 109.5° | 30.0° |
| C40 | C38 | C37 | H14 | 179.9° | 179.7° |
| C40 | C41 | C42 | H6 | 179.8° | 180.0° |
| H1 | C35 | C34 | H3 | 58.9° | 54.5° |
| H1 | C35 | C34 | H4 | 60.5° | 65.6° |
| H2 | C35 | C34 | H3 | 179.8° | 174.9° |
| H2 | C35 | C34 | H4 | 60.9° | 54.8° |
| H3 | C34 | C33 | H5 | 177.3° | 178.6° |
| H4 | C34 | C33 | H5 | 58.0° | 61.4° |
| H5 | C33 | C32 | H15 | 55.3° | 178.6° |
| H5 | C33 | C32 | H16 | 174.5° | 61.4° |
| H6 | C42 | C41 | H7 | 0.2° | 0.1° |
| H7 | C41 | C40 | H8 | 0.5° | 0.1° |
| H9 | C39 | N4 | H11 | 59.9° | 63.9° |
| H9 | C39 | N4 | H12 | 60.2° | 60.0° |
| H10 | C39 | N4 | H11 | 59.8° | 176.1° |
| H10 | C39 | N4 | H12 | 179.8° | 60.0° |
| H15 | C32 | C31 | H17 | 56.1° | 175.1° |
| H15 | C32 | C31 | H18 | 64.7° | 54.5° |
| H16 | C32 | C31 | H17 | 175.3° | 55.0° |
| H16 | C32 | C31 | H18 | 54.5° | 65.6° |
| H19 | C27 | C26 | H20 | 0.6° | 0.1° |
| H20 | C26 | C25 | H21 | 0.5° | 0.0° |
| H23 | C21 | C20 | H24 | 0.6° | 0.1° |
| H24 | C20 | C19 | H25 | 0.1° | 0.0° |
| H29 | C43 | C44 | H30 | 1.1° | 0.0° |
| H31 | C10 | C9 | H33 | 61.2° | 54.5° |
| H31 | C10 | C9 | H34 | 178.9° | 65.6° |
| H32 | C10 | C9 | H33 | 60.8° | 174.8° |
| H32 | C10 | C9 | H34 | 59.1° | 54.7° |
| H33 | C9 | C8 | H39 | 60.2° | 178.7° |
| H34 | C9 | C8 | H39 | 179.8° | 61.1° |
| H35 | C11 | C12 | H37 | 56.3° | 54.8° |
| H35 | C11 | C12 | H38 | 63.6° | 174.9° |
| H36 | C11 | C12 | H37 | 177.8° | 65.6° |
| H36 | C11 | C12 | H38 | 57.9° | 54.5° |
| H37 | C12 | C8 | H39 | 178.1° | 61.3° |
| H38 | C12 | C8 | H39 | 58.2° | 178.5° |
| H41 | C5 | C4 | H42 | 0.1° | 0.2° |
| H42 | C4 | C3 | H43 | 0.0° | 0.3° |
| H44 | C1 | N1 | H46 | 60.0° | 64.0° |
| H44 | C1 | N1 | H47 | 60.0° | 60.0° |
| H45 | C1 | N1 | H46 | 60.0° | 176.0° |
| H45 | C1 | N1 | H47 | 180.0° | 60.0° |
