4YN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | N21 | doub | 1.32Å | 1.34Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| N21 | C22 | sing | 1.32Å | 1.34Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C18 | C16 | sing | 1.53Å | 1.52Å | |
| C27 | C26 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C19 | sing | 1.51Å | 1.52Å | |
| C16 | C15 | sing | 1.54Å | 1.55Å | |
| C19 | C31 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.51Å | 1.51Å | |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C22 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | C30 | sing | 1.40Å | 1.38Å | Aromatic |
| C31 | N14 | sing | 1.39Å | 1.41Å | |
| C15 | N14 | sing | 1.47Å | 1.49Å | |
| N14 | C12 | sing | 1.35Å | 1.38Å | |
| C12 | O13 | doub | 1.21Å | 1.22Å | |
| C12 | C11 | sing | 1.51Å | 1.52Å | |
| C11 | N10 | sing | 1.47Å | 1.47Å | |
| C1 | O2 | sing | 1.43Å | 1.43Å | |
| O2 | C3 | sing | 1.43Å | 1.43Å | |
| N10 | C9 | sing | 1.47Å | 1.47Å | |
| N10 | C4 | sing | 1.47Å | 1.48Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C9 | C7 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C7 | N6 | sing | 1.47Å | 1.50Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C5 | N6 | sing | 1.47Å | 1.49Å | |
| C1 | H32 | sing | 1.09Å | 1.10Å | |
| C1 | H33 | sing | 1.09Å | 1.10Å | |
| C1 | H34 | sing | 1.09Å | 1.10Å | |
| C3 | H35 | sing | 1.09Å | 1.10Å | |
| C3 | H36 | sing | 1.09Å | 1.10Å | |
| C5 | H39 | sing | 1.09Å | 1.10Å | |
| C5 | H38 | sing | 1.09Å | 1.10Å | |
| C7 | H42 | sing | 1.09Å | 1.10Å | |
| C8 | H44 | sing | 1.09Å | 1.10Å | |
| C8 | H43 | sing | 1.09Å | 1.10Å | |
| C8 | H45 | sing | 1.09Å | 1.10Å | |
| C11 | H48 | sing | 1.09Å | 1.10Å | |
| C11 | H49 | sing | 1.09Å | 1.10Å | |
| C15 | H51 | sing | 1.09Å | 1.10Å | |
| C15 | H50 | sing | 1.09Å | 1.10Å | |
| C23 | H60 | sing | 1.09Å | 1.10Å | |
| C23 | H59 | sing | 1.09Å | 1.10Å | |
| C25 | H61 | sing | 1.08Å | 1.08Å | |
| C26 | H62 | sing | 1.08Å | 1.08Å | |
| C27 | H63 | sing | 1.08Å | 1.08Å | |
| C28 | H64 | sing | 1.08Å | 1.08Å | |
| C4 | H37 | sing | 1.09Å | 1.10Å | |
| N6 | H41 | sing | 1.01Å | 1.00Å | |
| N6 | H40 | sing | 1.01Å | 1.00Å | |
| C9 | H46 | sing | 1.09Å | 1.10Å | |
| C9 | H47 | sing | 1.09Å | 1.10Å | |
| C17 | H54 | sing | 1.09Å | 1.10Å | |
| C17 | H52 | sing | 1.09Å | 1.10Å | |
| C17 | H53 | sing | 1.09Å | 1.10Å | |
| C18 | H56 | sing | 1.09Å | 1.10Å | |
| C18 | H55 | sing | 1.09Å | 1.10Å | |
| C18 | H57 | sing | 1.09Å | 1.10Å | |
| C20 | H58 | sing | 1.08Å | 1.08Å | |
| C29 | H65 | sing | 1.08Å | 1.08Å | |
| C30 | H66 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C28 | C27 | 120.1° | 120.0° |
| C28 | C29 | C24 | 120.5° | 120.0° |
| C29 | C28 | H64 | 119.9° | 120.0° |
| C28 | C29 | H65 | 119.7° | 120.0° |
| C28 | C27 | C26 | 120.1° | 120.0° |
| C28 | C27 | H63 | 120.0° | 120.0° |
| C27 | C28 | H64 | 120.0° | 120.0° |
| N21 | C20 | C19 | 122.2° | 120.7° |
| C20 | N21 | C22 | 119.2° | 121.6° |
| N21 | C20 | H58 | 118.9° | 119.6° |
| C20 | C19 | C16 | 129.8° | 131.9° |
| C20 | C19 | C31 | 118.8° | 119.7° |
| C19 | C20 | H58 | 118.9° | 119.7° |
| C29 | C24 | C23 | 120.7° | 120.0° |
| C29 | C24 | C25 | 118.8° | 120.0° |
| C24 | C29 | H65 | 119.7° | 120.0° |
| N21 | C22 | C23 | 116.3° | 119.4° |
| N21 | C22 | C30 | 122.1° | 121.1° |
| C17 | C16 | C18 | 109.1° | 110.5° |
| C17 | C16 | C19 | 111.7° | 110.5° |
| C17 | C16 | C15 | 111.4° | 110.4° |
| C16 | C17 | H54 | 109.5° | 109.5° |
| C16 | C17 | H52 | 109.5° | 109.5° |
| C16 | C17 | H53 | 109.5° | 109.4° |
| C18 | C16 | C19 | 110.9° | 110.4° |
| C18 | C16 | C15 | 110.9° | 110.4° |
| C16 | C18 | H56 | 109.5° | 109.5° |
| C16 | C18 | H55 | 109.5° | 109.5° |
| C16 | C18 | H57 | 109.5° | 109.5° |
| C27 | C26 | C25 | 120.1° | 120.0° |
| C27 | C26 | H62 | 120.0° | 120.0° |
| C26 | C27 | H63 | 120.0° | 120.0° |
| C19 | C16 | C15 | 102.7° | 104.5° |
| C16 | C19 | C31 | 111.4° | 108.5° |
| C16 | C15 | N14 | 105.4° | 105.2° |
| C16 | C15 | H51 | 110.5° | 110.3° |
| C16 | C15 | H50 | 110.5° | 110.4° |
| C19 | C31 | C30 | 119.8° | 117.8° |
| C19 | C31 | N14 | 109.5° | 111.8° |
| C23 | C24 | C25 | 120.5° | 120.0° |
| C24 | C23 | C22 | 112.4° | 109.5° |
| C24 | C23 | H60 | 108.7° | 109.5° |
| C24 | C23 | H59 | 108.7° | 109.4° |
| C24 | C25 | C26 | 120.4° | 120.0° |
| C24 | C25 | H61 | 119.8° | 120.0° |
| C23 | C22 | C30 | 121.6° | 119.5° |
| C22 | C23 | H60 | 108.7° | 109.5° |
| C22 | C23 | H59 | 108.7° | 109.4° |
| C22 | C30 | C31 | 117.9° | 119.1° |
| C22 | C30 | H66 | 121.1° | 120.5° |
| C26 | C25 | H61 | 119.8° | 120.0° |
| C25 | C26 | H62 | 119.9° | 120.0° |
| C30 | C31 | N14 | 130.7° | 130.5° |
| C31 | C30 | H66 | 121.0° | 120.4° |
| C31 | N14 | C15 | 110.1° | 110.1° |
| C31 | N14 | C12 | 126.6° | 125.0° |
| C15 | N14 | C12 | 123.2° | 125.0° |
| N14 | C15 | H51 | 110.5° | 110.3° |
| N14 | C15 | H50 | 110.5° | 110.3° |
| N14 | C12 | O13 | 121.7° | 120.0° |
| N14 | C12 | C11 | 117.6° | 120.0° |
| O13 | C12 | C11 | 120.6° | 120.0° |
| C12 | C11 | N10 | 115.5° | 109.5° |
| C12 | C11 | H48 | 108.0° | 109.5° |
| C12 | C11 | H49 | 108.0° | 109.4° |
| C11 | N10 | C9 | 111.5° | 111.0° |
| C11 | N10 | C4 | 116.7° | 111.0° |
| N10 | C11 | H48 | 107.9° | 109.5° |
| N10 | C11 | H49 | 108.0° | 109.5° |
| C1 | O2 | C3 | 113.7° | 114.0° |
| O2 | C1 | H32 | 109.5° | 109.5° |
| O2 | C1 | H33 | 109.5° | 109.4° |
| O2 | C1 | H34 | 109.4° | 109.5° |
| O2 | C3 | C4 | 110.8° | 109.5° |
| O2 | C3 | H35 | 109.1° | 109.5° |
| O2 | C3 | H36 | 109.1° | 109.5° |
| C9 | N10 | C4 | 117.8° | 110.8° |
| N10 | C9 | C7 | 111.9° | 109.4° |
| N10 | C9 | H46 | 108.9° | 109.5° |
| N10 | C9 | H47 | 108.9° | 109.5° |
| N10 | C4 | C3 | 113.7° | 109.5° |
| N10 | C4 | C5 | 110.8° | 109.4° |
| N10 | C4 | H37 | 107.9° | 109.5° |
| C3 | C4 | C5 | 109.5° | 109.5° |
| C4 | C3 | H35 | 109.1° | 109.5° |
| C4 | C3 | H36 | 109.1° | 109.5° |
| C3 | C4 | H37 | 107.3° | 109.5° |
| C9 | C7 | N6 | 108.4° | 109.5° |
| C9 | C7 | C8 | 112.5° | 109.5° |
| C9 | C7 | H42 | 108.7° | 109.4° |
| C7 | C9 | H46 | 108.9° | 109.5° |
| C7 | C9 | H47 | 108.8° | 109.5° |
| C4 | C5 | N6 | 111.7° | 109.5° |
| C4 | C5 | H39 | 108.9° | 109.4° |
| C4 | C5 | H38 | 108.9° | 109.4° |
| C5 | C4 | H37 | 107.4° | 109.5° |
| N6 | C7 | C8 | 109.6° | 109.5° |
| C7 | N6 | C5 | 112.6° | 109.6° |
| N6 | C7 | H42 | 108.9° | 109.5° |
| C7 | N6 | H41 | 108.7° | 109.5° |
| C7 | N6 | H40 | 108.7° | 109.4° |
| C8 | C7 | H42 | 108.7° | 109.5° |
| C7 | C8 | H44 | 109.5° | 109.5° |
| C7 | C8 | H43 | 109.4° | 109.5° |
| C7 | C8 | H45 | 109.5° | 109.5° |
| N6 | C5 | H39 | 108.9° | 109.5° |
| N6 | C5 | H38 | 108.9° | 109.5° |
| C5 | N6 | H41 | 108.7° | 109.5° |
| C5 | N6 | H40 | 108.7° | 109.4° |
| H32 | C1 | H33 | 109.5° | 109.4° |
| H32 | C1 | H34 | 109.4° | 109.5° |
| H33 | C1 | H34 | 109.5° | 109.4° |
| H35 | C3 | H36 | 109.5° | 109.5° |
| H39 | C5 | H38 | 109.5° | 109.5° |
| H44 | C8 | H43 | 109.5° | 109.5° |
| H44 | C8 | H45 | 109.5° | 109.4° |
| H43 | C8 | H45 | 109.4° | 109.4° |
| H48 | C11 | H49 | 109.4° | 109.5° |
| H51 | C15 | H50 | 109.5° | 110.2° |
| H60 | C23 | H59 | 109.4° | 109.4° |
| H41 | N6 | H40 | 109.5° | 109.5° |
| H46 | C9 | H47 | 109.5° | 109.5° |
| H54 | C17 | H52 | 109.5° | 109.5° |
| H54 | C17 | H53 | 109.5° | 109.5° |
| H52 | C17 | H53 | 109.5° | 109.4° |
| H56 | C18 | H55 | 109.5° | 109.5° |
| H56 | C18 | H57 | 109.5° | 109.5° |
| H55 | C18 | H57 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C28 | C27 | H64 | 180.0° | 179.5° |
| C28 | C29 | C24 | H65 | 180.0° | 179.4° |
| C29 | C28 | C27 | C26 | 0.0° | 0.2° |
| C28 | C29 | C24 | C23 | 180.0° | 179.7° |
| C28 | C29 | C24 | C25 | 0.0° | 0.6° |
| C29 | C28 | C27 | H63 | 180.0° | 179.7° |
| C27 | C28 | C29 | C24 | 0.0° | 0.6° |
| C28 | C27 | C26 | H63 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 0.0° | 0.1° |
| C28 | C27 | C26 | H62 | 180.0° | 180.0° |
| C27 | C28 | C29 | H65 | 180.0° | 180.0° |
| N21 | C20 | C19 | H58 | 180.0° | 179.9° |
| N21 | C20 | C19 | C16 | 180.0° | 179.9° |
| N21 | C20 | C19 | C31 | 0.1° | 0.1° |
| C20 | N21 | C22 | C23 | 180.0° | 180.0° |
| C20 | N21 | C22 | C30 | 0.0° | 0.0° |
| C19 | C20 | N21 | C22 | 0.0° | 0.0° |
| C20 | C19 | C16 | C17 | 66.0° | 61.2° |
| C20 | C19 | C16 | C18 | 55.9° | 61.3° |
| C20 | C19 | C16 | C31 | 179.9° | 179.9° |
| C20 | C19 | C16 | C15 | 174.5° | 179.9° |
| C20 | C19 | C31 | C30 | 0.0° | 0.1° |
| C20 | C19 | C31 | N14 | 180.0° | 180.0° |
| C29 | C24 | C23 | C25 | 180.0° | 179.8° |
| C29 | C24 | C23 | C22 | 99.9° | 90.2° |
| C29 | C24 | C25 | C26 | 0.0° | 0.2° |
| C29 | C24 | C23 | H60 | 139.6° | 149.7° |
| C29 | C24 | C23 | H59 | 20.5° | 29.7° |
| C29 | C24 | C25 | H61 | 180.0° | 179.7° |
| C24 | C29 | C28 | H64 | 180.0° | 180.0° |
| N21 | C22 | C23 | C24 | 82.0° | 55.0° |
| N21 | C22 | C23 | C30 | 180.0° | 179.9° |
| N21 | C22 | C30 | C31 | 0.0° | 0.0° |
| N21 | C22 | C23 | H60 | 157.6° | 65.1° |
| N21 | C22 | C23 | H59 | 38.5° | 175.0° |
| C22 | N21 | C20 | H58 | 179.9° | 180.0° |
| N21 | C22 | C30 | H66 | 180.0° | 180.0° |
| C17 | C16 | C18 | C19 | 123.4° | 122.5° |
| C17 | C16 | C18 | C15 | 123.1° | 122.4° |
| C17 | C16 | C19 | C15 | 119.5° | 118.7° |
| C17 | C16 | C19 | C31 | 114.1° | 118.7° |
| C17 | C16 | C15 | N14 | 111.3° | 118.8° |
| C17 | C16 | C15 | H51 | 129.4° | 122.3° |
| C17 | C16 | C15 | H50 | 8.1° | 0.2° |
| C16 | C17 | H54 | H52 | 120.0° | 120.0° |
| C16 | C17 | H54 | H53 | 120.0° | 120.0° |
| C16 | C17 | H52 | H53 | 120.0° | 119.9° |
| C17 | C16 | C18 | H56 | 180.0° | 61.0° |
| C17 | C16 | C18 | H55 | 60.0° | 59.0° |
| C17 | C16 | C18 | H57 | 60.0° | 179.0° |
| C18 | C16 | C19 | C15 | 118.6° | 118.7° |
| C18 | C16 | C19 | C31 | 124.0° | 118.8° |
| C18 | C16 | C15 | N14 | 127.0° | 118.7° |
| C18 | C16 | C15 | H51 | 7.6° | 0.2° |
| C18 | C16 | C15 | H50 | 113.6° | 122.2° |
| C18 | C16 | C17 | H54 | 180.0° | 179.0° |
| C18 | C16 | C17 | H52 | 60.0° | 58.9° |
| C18 | C16 | C17 | H53 | 60.0° | 61.0° |
| C16 | C18 | H56 | H55 | 120.0° | 120.0° |
| C16 | C18 | H56 | H57 | 120.0° | 120.0° |
| C16 | C18 | H55 | H57 | 120.0° | 120.0° |
| C27 | C26 | C25 | C24 | 0.0° | 0.1° |
| C27 | C26 | C25 | H62 | 180.0° | 179.9° |
| C27 | C26 | C25 | H61 | 180.0° | 180.0° |
| C26 | C27 | C28 | H64 | 180.0° | 179.7° |
| C16 | C19 | C31 | C30 | 180.0° | 180.0° |
| C16 | C19 | C31 | N14 | 0.0° | 0.0° |
| C19 | C16 | C15 | N14 | 8.4° | 0.0° |
| C19 | C16 | C15 | H51 | 111.0° | 119.0° |
| C19 | C16 | C15 | H50 | 127.8° | 119.0° |
| C19 | C16 | C17 | H54 | 57.0° | 58.5° |
| C19 | C16 | C17 | H52 | 177.0° | 178.6° |
| C19 | C16 | C17 | H53 | 63.0° | 61.5° |
| C19 | C16 | C18 | H56 | 56.6° | 61.5° |
| C19 | C16 | C18 | H55 | 63.4° | 178.5° |
| C19 | C16 | C18 | H57 | 176.6° | 58.5° |
| C16 | C19 | C20 | H58 | 0.0° | 0.1° |
| C15 | C16 | C19 | C31 | 5.4° | 0.0° |
| C16 | C15 | N14 | C31 | 9.1° | 0.0° |
| C16 | C15 | N14 | H51 | 119.4° | 118.9° |
| C16 | C15 | N14 | H50 | 119.4° | 119.0° |
| C16 | C15 | N14 | C12 | 174.7° | 180.0° |
| C16 | C15 | H51 | H50 | 121.9° | 122.1° |
| C15 | C16 | C17 | H54 | 57.2° | 56.6° |
| C15 | C16 | C17 | H52 | 62.8° | 63.5° |
| C15 | C16 | C17 | H53 | 177.2° | 176.6° |
| C15 | C16 | C18 | H56 | 56.9° | 176.6° |
| C15 | C16 | C18 | H55 | 176.9° | 63.5° |
| C15 | C16 | C18 | H57 | 63.1° | 56.6° |
| C19 | C31 | C30 | C22 | 0.0° | 0.0° |
| C19 | C31 | C30 | N14 | 180.0° | 180.0° |
| C19 | C31 | N14 | C15 | 5.9° | 0.0° |
| C19 | C31 | N14 | C12 | 178.1° | 180.0° |
| C31 | C19 | C20 | H58 | 179.9° | 180.0° |
| C19 | C31 | C30 | H66 | 180.0° | 180.0° |
| C24 | C23 | C22 | H60 | 120.4° | 120.1° |
| C24 | C23 | C22 | H59 | 120.5° | 120.0° |
| C24 | C23 | C22 | C30 | 98.1° | 125.0° |
| C23 | C24 | C25 | C26 | 180.0° | 180.0° |
| C24 | C23 | H60 | H59 | 118.7° | 120.0° |
| C23 | C24 | C25 | H61 | 0.0° | 0.0° |
| C23 | C24 | C29 | H65 | 0.0° | 0.3° |
| C25 | C24 | C23 | C22 | 80.1° | 90.0° |
| C24 | C25 | C26 | H61 | 180.0° | 180.0° |
| C25 | C24 | C23 | H60 | 40.4° | 30.1° |
| C25 | C24 | C23 | H59 | 159.5° | 150.0° |
| C24 | C25 | C26 | H62 | 180.0° | 180.0° |
| C25 | C24 | C29 | H65 | 180.0° | 180.0° |
| C23 | C22 | C30 | C31 | 180.0° | 180.0° |
| C22 | C23 | H60 | H59 | 118.6° | 120.0° |
| C23 | C22 | C30 | H66 | 0.0° | 0.0° |
| C22 | C30 | C31 | H66 | 180.0° | 180.0° |
| C22 | C30 | C31 | N14 | 180.0° | 180.0° |
| C30 | C22 | C23 | H60 | 22.4° | 114.9° |
| C30 | C22 | C23 | H59 | 141.5° | 5.0° |
| C25 | C26 | C27 | H63 | 180.0° | 179.9° |
| C30 | C31 | N14 | C15 | 174.1° | 180.0° |
| C30 | C31 | N14 | C12 | 1.9° | 0.0° |
| C31 | N14 | C15 | C12 | 176.2° | 180.0° |
| C31 | N14 | C12 | O13 | 4.4° | 180.0° |
| C31 | N14 | C12 | C11 | 175.6° | 0.0° |
| C31 | N14 | C15 | H51 | 110.3° | 119.0° |
| C31 | N14 | C15 | H50 | 128.5° | 119.0° |
| N14 | C31 | C30 | H66 | 0.0° | 0.0° |
| C15 | N14 | C12 | O13 | 179.9° | 0.0° |
| C15 | N14 | C12 | C11 | 0.1° | 180.0° |
| N14 | C15 | H51 | H50 | 121.9° | 122.1° |
| N14 | C12 | O13 | C11 | 180.0° | 180.0° |
| N14 | C12 | C11 | N10 | 168.6° | 180.0° |
| N14 | C12 | C11 | H48 | 47.7° | 60.0° |
| N14 | C12 | C11 | H49 | 70.5° | 60.0° |
| C12 | N14 | C15 | H51 | 65.9° | 61.1° |
| C12 | N14 | C15 | H50 | 55.3° | 60.9° |
| O13 | C12 | C11 | N10 | 11.4° | 0.1° |
| O13 | C12 | C11 | H48 | 132.3° | 120.0° |
| O13 | C12 | C11 | H49 | 109.5° | 120.0° |
| C12 | C11 | N10 | H48 | 120.9° | 120.0° |
| C12 | C11 | N10 | H49 | 120.9° | 119.9° |
| C12 | C11 | N10 | C9 | 72.5° | 75.5° |
| C12 | C11 | N10 | C4 | 67.0° | 160.8° |
| C12 | C11 | H48 | H49 | 117.3° | 120.0° |
| C11 | N10 | C9 | C4 | 138.9° | 123.8° |
| C11 | N10 | C4 | C3 | 54.2° | 57.6° |
| C11 | N10 | C9 | C7 | 172.0° | 177.7° |
| C11 | N10 | C4 | C5 | 177.9° | 177.7° |
| N10 | C11 | H48 | H49 | 117.3° | 120.0° |
| C11 | N10 | C4 | H37 | 64.8° | 62.4° |
| C11 | N10 | C9 | H46 | 51.6° | 62.4° |
| C11 | N10 | C9 | H47 | 67.6° | 57.6° |
| C1 | O2 | C3 | C4 | 68.1° | 180.0° |
| O2 | C1 | H32 | H33 | 120.0° | 120.0° |
| O2 | C1 | H32 | H34 | 120.0° | 120.1° |
| O2 | C1 | H33 | H34 | 120.0° | 120.0° |
| C1 | O2 | C3 | H35 | 52.1° | 60.0° |
| C1 | O2 | C3 | H36 | 171.7° | 60.0° |
| O2 | C3 | C4 | N10 | 79.6° | 63.2° |
| O2 | C3 | C4 | H35 | 120.2° | 120.0° |
| O2 | C3 | C4 | H36 | 120.2° | 120.0° |
| O2 | C3 | C4 | C5 | 155.9° | 56.7° |
| C3 | O2 | C1 | H32 | 180.0° | 60.0° |
| C3 | O2 | C1 | H33 | 60.0° | 180.0° |
| C3 | O2 | C1 | H34 | 60.0° | 60.0° |
| O2 | C3 | H35 | H36 | 119.4° | 120.0° |
| O2 | C3 | C4 | H37 | 39.6° | 176.8° |
| C9 | N10 | C4 | C3 | 169.0° | 178.5° |
| N10 | C9 | C7 | H46 | 120.4° | 119.9° |
| N10 | C9 | C7 | H47 | 120.3° | 120.0° |
| C9 | N10 | C4 | C5 | 45.2° | 58.5° |
| N10 | C9 | C7 | N6 | 53.3° | 59.1° |
| N10 | C9 | C7 | C8 | 174.7° | 179.2° |
| N10 | C9 | C7 | H42 | 65.0° | 60.8° |
| C9 | N10 | C11 | H48 | 166.6° | 44.6° |
| C9 | N10 | C11 | H49 | 48.4° | 164.6° |
| C9 | N10 | C4 | H37 | 72.1° | 61.5° |
| N10 | C9 | H46 | H47 | 118.9° | 120.0° |
| N10 | C4 | C3 | C5 | 124.5° | 119.9° |
| N10 | C4 | C3 | H37 | 119.3° | 120.0° |
| C4 | N10 | C9 | C7 | 49.1° | 58.5° |
| N10 | C4 | C5 | H37 | 117.6° | 120.0° |
| N10 | C4 | C5 | N6 | 47.8° | 59.2° |
| N10 | C4 | C3 | H35 | 160.1° | 56.8° |
| N10 | C4 | C3 | H36 | 40.5° | 176.8° |
| N10 | C4 | C5 | H39 | 168.1° | 179.2° |
| N10 | C4 | C5 | H38 | 72.6° | 60.8° |
| C4 | N10 | C11 | H48 | 53.9° | 79.1° |
| C4 | N10 | C11 | H49 | 172.1° | 40.9° |
| C4 | N10 | C9 | H46 | 169.5° | 61.4° |
| C4 | N10 | C9 | H47 | 71.3° | 178.6° |
| C3 | C4 | C5 | H37 | 116.2° | 120.0° |
| C3 | C4 | C5 | N6 | 173.9° | 179.2° |
| C4 | C3 | H35 | H36 | 119.4° | 120.0° |
| C3 | C4 | C5 | H39 | 65.8° | 60.8° |
| C3 | C4 | C5 | H38 | 53.6° | 59.2° |
| C9 | C7 | N6 | C8 | 123.1° | 120.0° |
| C9 | C7 | N6 | H42 | 118.1° | 119.9° |
| C9 | C7 | C8 | H42 | 120.3° | 119.9° |
| C9 | C7 | N6 | C5 | 59.5° | 60.7° |
| C9 | C7 | C8 | H44 | 180.0° | 180.0° |
| C9 | C7 | C8 | H43 | 60.0° | 59.9° |
| C9 | C7 | C8 | H45 | 60.0° | 60.1° |
| C9 | C7 | N6 | H41 | 179.9° | 59.4° |
| C9 | C7 | N6 | H40 | 61.0° | 179.3° |
| C7 | C9 | H46 | H47 | 118.9° | 120.0° |
| C4 | C5 | N6 | C7 | 57.8° | 60.8° |
| C4 | C5 | N6 | H39 | 120.3° | 120.0° |
| C4 | C5 | N6 | H38 | 120.3° | 120.0° |
| C5 | C4 | C3 | H35 | 35.6° | 176.7° |
| C5 | C4 | C3 | H36 | 83.9° | 63.2° |
| C4 | C5 | H39 | H38 | 119.0° | 119.9° |
| C4 | C5 | N6 | H41 | 178.2° | 59.3° |
| C4 | C5 | N6 | H40 | 62.7° | 179.3° |
| N6 | C7 | C8 | H42 | 119.0° | 120.0° |
| C7 | N6 | C5 | H41 | 120.4° | 120.1° |
| C7 | N6 | C5 | H40 | 120.4° | 120.0° |
| C7 | N6 | C5 | H39 | 178.1° | 179.3° |
| C7 | N6 | C5 | H38 | 62.6° | 59.2° |
| N6 | C7 | C8 | H44 | 59.3° | 60.0° |
| N6 | C7 | C8 | H43 | 179.3° | 179.9° |
| N6 | C7 | C8 | H45 | 60.8° | 60.0° |
| C7 | N6 | H41 | H40 | 118.6° | 119.9° |
| N6 | C7 | C9 | H46 | 173.7° | 60.8° |
| N6 | C7 | C9 | H47 | 67.0° | 179.2° |
| C8 | C7 | N6 | C5 | 177.4° | 179.2° |
| C7 | C8 | H44 | H43 | 120.0° | 120.0° |
| C7 | C8 | H44 | H45 | 120.0° | 120.0° |
| C7 | C8 | H43 | H45 | 120.0° | 120.0° |
| C8 | C7 | N6 | H41 | 57.0° | 60.7° |
| C8 | C7 | N6 | H40 | 62.1° | 59.3° |
| C8 | C7 | C9 | H46 | 64.9° | 59.3° |
| C8 | C7 | C9 | H47 | 54.3° | 60.8° |
| N6 | C5 | H39 | H38 | 119.0° | 120.1° |
| C5 | N6 | C7 | H42 | 58.6° | 59.2° |
| N6 | C5 | C4 | H37 | 69.8° | 60.8° |
| C5 | N6 | H41 | H40 | 118.6° | 120.0° |
| H32 | C1 | H33 | H34 | 120.0° | 120.0° |
| H35 | C3 | C4 | H37 | 80.6° | 63.2° |
| H36 | C3 | C4 | H37 | 159.8° | 56.8° |
| H39 | C5 | C4 | H37 | 50.5° | 59.3° |
| H39 | C5 | N6 | H41 | 61.5° | 60.7° |
| H39 | C5 | N6 | H40 | 57.6° | 59.3° |
| H38 | C5 | C4 | H37 | 169.8° | 179.2° |
| H38 | C5 | N6 | H41 | 57.9° | 179.3° |
| H38 | C5 | N6 | H40 | 177.0° | 60.7° |
| H42 | C7 | C8 | H44 | 59.7° | 60.0° |
| H42 | C7 | C8 | H43 | 60.3° | 60.0° |
| H42 | C7 | C8 | H45 | 179.7° | 180.0° |
| H42 | C7 | N6 | H41 | 61.8° | 179.3° |
| H42 | C7 | N6 | H40 | 179.1° | 60.8° |
| H42 | C7 | C9 | H46 | 55.4° | 179.2° |
| H42 | C7 | C9 | H47 | 174.7° | 59.2° |
| H44 | C8 | H43 | H45 | 120.0° | 120.0° |
| H61 | C25 | C26 | H62 | 0.0° | 0.1° |
| H62 | C26 | C27 | H63 | 0.0° | 0.0° |
| H63 | C27 | C28 | H64 | 0.0° | 0.3° |
| H64 | C28 | C29 | H65 | 0.0° | 0.6° |
| H54 | C17 | H52 | H53 | 120.0° | 120.0° |
| H56 | C18 | H55 | H57 | 120.0° | 120.0° |
