YN3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C25 | sing | 1.53Å | 1.51Å | |
| O24 | C23 | doub | 1.21Å | 1.23Å | |
| N29 | N30 | sing | 1.40Å | 1.36Å | Aromatic |
| N29 | C14 | doub | 1.31Å | 1.34Å | Aromatic |
| N30 | C32 | sing | 1.35Å | 1.36Å | Aromatic |
| C23 | C25 | sing | 1.51Å | 1.51Å | |
| C23 | N22 | sing | 1.35Å | 1.35Å | |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | N15 | sing | 1.40Å | 1.39Å | |
| C14 | C13 | sing | 1.41Å | 1.39Å | Aromatic |
| N15 | C16 | sing | 1.35Å | 1.36Å | |
| C32 | C13 | doub | 1.35Å | 1.35Å | Aromatic |
| C32 | C33 | sing | 1.51Å | 1.51Å | |
| C34 | C33 | sing | 1.53Å | 1.52Å | |
| N22 | C21 | sing | 1.40Å | 1.41Å | |
| C21 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.50Å | |
| C18 | C16 | sing | 1.48Å | 1.50Å | |
| C18 | C28 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | O17 | doub | 1.22Å | 1.23Å | |
| C33 | C35 | sing | 1.53Å | 1.52Å | |
| C33 | N11 | sing | 1.47Å | 1.48Å | |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | N11 | sing | 1.47Å | 1.47Å | |
| N11 | C9 | sing | 1.35Å | 1.40Å | |
| C9 | O10 | doub | 1.22Å | 1.23Å | |
| C9 | N8 | sing | 1.35Å | 1.37Å | |
| C1 | N2 | sing | 1.47Å | 1.49Å | |
| N8 | C6 | sing | 1.46Å | 1.46Å | |
| N2 | C5 | sing | 1.47Å | 1.50Å | |
| N2 | C4 | sing | 1.47Å | 1.49Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | C36 | sing | 1.51Å | 1.52Å | |
| C36 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C41 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.38Å | Aromatic |
| C41 | C40 | doub | 1.38Å | 1.38Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.38Å | Aromatic |
| C40 | C39 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H42 | sing | 1.09Å | 1.10Å | |
| C1 | H43 | sing | 1.09Å | 1.10Å | |
| C1 | H44 | sing | 1.09Å | 1.10Å | |
| C5 | H49 | sing | 1.09Å | 1.10Å | |
| C5 | H48 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H51 | sing | 1.09Å | 1.10Å | |
| C12 | H52 | sing | 1.09Å | 1.10Å | |
| C19 | H54 | sing | 1.08Å | 1.08Å | |
| C25 | H57 | sing | 1.09Å | 1.10Å | |
| C25 | H73 | sing | 1.09Å | 1.10Å | |
| C26 | H58 | sing | 1.09Å | 1.10Å | |
| C26 | H59 | sing | 1.09Å | 1.10Å | |
| C26 | H1 | sing | 1.09Å | 1.10Å | |
| C27 | H60 | sing | 1.08Å | 1.08Å | |
| C28 | H61 | sing | 1.08Å | 1.08Å | |
| C35 | H66 | sing | 1.09Å | 1.10Å | |
| C35 | H67 | sing | 1.09Å | 1.10Å | |
| C35 | H65 | sing | 1.09Å | 1.10Å | |
| C37 | H68 | sing | 1.08Å | 1.08Å | |
| C38 | H69 | sing | 1.08Å | 1.08Å | |
| C39 | H70 | sing | 1.08Å | 1.08Å | |
| C40 | H71 | sing | 1.08Å | 1.08Å | |
| N22 | H56 | sing | 0.97Å | 1.00Å | |
| C20 | H55 | sing | 1.08Å | 1.08Å | |
| N15 | H53 | sing | 0.97Å | 1.00Å | |
| N30 | H31 | sing | 0.97Å | 1.00Å | |
| N8 | H50 | sing | 0.97Å | 1.00Å | |
| C4 | H45 | sing | 1.09Å | 1.10Å | |
| C4 | H46 | sing | 1.09Å | 1.10Å | |
| C4 | H47 | sing | 1.09Å | 1.10Å | |
| C41 | H72 | sing | 1.08Å | 1.08Å | |
| C34 | H64 | sing | 1.09Å | 1.10Å | |
| C34 | H62 | sing | 1.09Å | 1.10Å | |
| C34 | H63 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C25 | C23 | 113.7° | 109.5° |
| C26 | C25 | H57 | 108.4° | 109.5° |
| C26 | C25 | H73 | 108.4° | 109.5° |
| C25 | C26 | H58 | 109.5° | 109.5° |
| C25 | C26 | H59 | 109.5° | 109.5° |
| C25 | C26 | H1 | 109.5° | 109.5° |
| O24 | C23 | C25 | 121.4° | 120.0° |
| O24 | C23 | N22 | 123.7° | 120.0° |
| N30 | N29 | C14 | 105.5° | 108.2° |
| N29 | N30 | C32 | 111.3° | 108.0° |
| N29 | N30 | H31 | 124.3° | 126.0° |
| N29 | C14 | N15 | 122.2° | 126.0° |
| N29 | C14 | C13 | 109.4° | 108.1° |
| N30 | C32 | C13 | 106.2° | 107.9° |
| N30 | C32 | C33 | 143.5° | 142.8° |
| C32 | N30 | H31 | 124.3° | 126.0° |
| C25 | C23 | N22 | 114.9° | 120.0° |
| C23 | C25 | H57 | 108.4° | 109.5° |
| C23 | C25 | H73 | 108.4° | 109.5° |
| C23 | N22 | C21 | 128.6° | 120.0° |
| C23 | N22 | H56 | 115.7° | 120.1° |
| C19 | C20 | C21 | 120.3° | 120.1° |
| C20 | C19 | C18 | 120.4° | 119.9° |
| C20 | C19 | H54 | 119.8° | 120.0° |
| C19 | C20 | H55 | 119.8° | 120.0° |
| C20 | C21 | N22 | 121.6° | 119.9° |
| C20 | C21 | C27 | 119.4° | 120.2° |
| C21 | C20 | H55 | 119.9° | 120.0° |
| C19 | C18 | C16 | 123.2° | 120.1° |
| C19 | C18 | C28 | 119.0° | 119.9° |
| C18 | C19 | H54 | 119.8° | 120.0° |
| N15 | C14 | C13 | 128.4° | 126.0° |
| C14 | N15 | C16 | 125.9° | 120.0° |
| C14 | N15 | H53 | 117.1° | 120.0° |
| C14 | C13 | C32 | 107.6° | 107.9° |
| C14 | C13 | C12 | 140.1° | 142.8° |
| N15 | C16 | C18 | 117.0° | 120.0° |
| N15 | C16 | O17 | 122.3° | 120.0° |
| C16 | N15 | H53 | 117.1° | 120.0° |
| C13 | C32 | C33 | 110.4° | 109.4° |
| C32 | C13 | C12 | 112.3° | 109.3° |
| C32 | C33 | C34 | 109.5° | 109.9° |
| C32 | C33 | C35 | 109.5° | 109.8° |
| C32 | C33 | N11 | 102.9° | 107.5° |
| C34 | C33 | C35 | 113.0° | 109.8° |
| C34 | C33 | N11 | 111.0° | 110.0° |
| C33 | C34 | H64 | 109.5° | 109.5° |
| C33 | C34 | H62 | 109.5° | 109.5° |
| C33 | C34 | H63 | 109.4° | 109.5° |
| N22 | C21 | C27 | 118.9° | 119.9° |
| C21 | N22 | H56 | 115.7° | 120.0° |
| C21 | C27 | C28 | 120.3° | 120.1° |
| C21 | C27 | H60 | 119.8° | 119.9° |
| C13 | C12 | N11 | 102.2° | 107.5° |
| C13 | C12 | H51 | 111.3° | 109.9° |
| C13 | C12 | H52 | 111.2° | 109.9° |
| C16 | C18 | C28 | 117.8° | 120.1° |
| C18 | C16 | O17 | 120.7° | 120.0° |
| C18 | C28 | C27 | 120.5° | 119.9° |
| C18 | C28 | H61 | 119.7° | 120.0° |
| C35 | C33 | N11 | 110.4° | 109.8° |
| C33 | C35 | H66 | 109.5° | 109.5° |
| C33 | C35 | H67 | 109.5° | 109.5° |
| C33 | C35 | H65 | 109.4° | 109.4° |
| C33 | N11 | C12 | 112.1° | 106.3° |
| C33 | N11 | C9 | 122.6° | 126.9° |
| C28 | C27 | H60 | 119.8° | 120.0° |
| C27 | C28 | H61 | 119.8° | 120.0° |
| C12 | N11 | C9 | 125.3° | 126.8° |
| N11 | C12 | H51 | 111.2° | 109.9° |
| N11 | C12 | H52 | 111.3° | 109.9° |
| N11 | C9 | O10 | 120.7° | 120.0° |
| N11 | C9 | N8 | 118.3° | 120.0° |
| O10 | C9 | N8 | 121.0° | 119.9° |
| C9 | N8 | C6 | 120.3° | 120.0° |
| C9 | N8 | H50 | 119.9° | 119.9° |
| C1 | N2 | C5 | 111.8° | 111.0° |
| C1 | N2 | C4 | 111.0° | 111.0° |
| N2 | C1 | H42 | 109.5° | 109.5° |
| N2 | C1 | H43 | 109.4° | 109.5° |
| N2 | C1 | H44 | 109.4° | 109.5° |
| N8 | C6 | C5 | 110.5° | 109.5° |
| N8 | C6 | C36 | 114.1° | 109.5° |
| N8 | C6 | H7 | 107.8° | 109.4° |
| C6 | N8 | H50 | 119.9° | 120.0° |
| C5 | N2 | C4 | 113.7° | 111.0° |
| N2 | C5 | C6 | 112.2° | 109.5° |
| N2 | C5 | H49 | 108.8° | 109.4° |
| N2 | C5 | H48 | 108.8° | 109.4° |
| N2 | C4 | H45 | 109.5° | 109.5° |
| N2 | C4 | H46 | 109.5° | 109.4° |
| N2 | C4 | H47 | 109.5° | 109.5° |
| C5 | C6 | C36 | 110.0° | 109.5° |
| C6 | C5 | H49 | 108.8° | 109.5° |
| C6 | C5 | H48 | 108.8° | 109.5° |
| C5 | C6 | H7 | 107.0° | 109.4° |
| C6 | C36 | C37 | 121.2° | 120.0° |
| C6 | C36 | C41 | 120.1° | 120.0° |
| C36 | C6 | H7 | 107.1° | 109.5° |
| C37 | C36 | C41 | 118.7° | 120.0° |
| C36 | C37 | C38 | 120.8° | 120.0° |
| C36 | C37 | H68 | 119.6° | 120.0° |
| C36 | C41 | C40 | 120.8° | 120.0° |
| C36 | C41 | H72 | 119.6° | 120.0° |
| C37 | C38 | C39 | 120.0° | 120.0° |
| C38 | C37 | H68 | 119.6° | 120.0° |
| C37 | C38 | H69 | 120.0° | 120.0° |
| C41 | C40 | C39 | 119.8° | 120.0° |
| C41 | C40 | H71 | 120.1° | 120.0° |
| C40 | C41 | H72 | 119.6° | 120.0° |
| C38 | C39 | C40 | 120.0° | 120.0° |
| C39 | C38 | H69 | 120.0° | 120.0° |
| C38 | C39 | H70 | 120.0° | 120.0° |
| C40 | C39 | H70 | 120.0° | 120.0° |
| C39 | C40 | H71 | 120.1° | 120.0° |
| H42 | C1 | H43 | 109.5° | 109.5° |
| H42 | C1 | H44 | 109.5° | 109.5° |
| H43 | C1 | H44 | 109.5° | 109.5° |
| H49 | C5 | H48 | 109.5° | 109.5° |
| H51 | C12 | H52 | 109.5° | 109.8° |
| H57 | C25 | H73 | 109.5° | 109.4° |
| H58 | C26 | H59 | 109.4° | 109.5° |
| H58 | C26 | H1 | 109.5° | 109.5° |
| H59 | C26 | H1 | 109.5° | 109.4° |
| H66 | C35 | H67 | 109.5° | 109.5° |
| H66 | C35 | H65 | 109.4° | 109.5° |
| H67 | C35 | H65 | 109.5° | 109.4° |
| H45 | C4 | H46 | 109.4° | 109.4° |
| H45 | C4 | H47 | 109.5° | 109.5° |
| H46 | C4 | H47 | 109.5° | 109.5° |
| H64 | C34 | H62 | 109.5° | 109.5° |
| H64 | C34 | H63 | 109.5° | 109.4° |
| H62 | C34 | H63 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C25 | C23 | O24 | 37.2° | 0.0° |
| C26 | C25 | C23 | H57 | 120.6° | 120.0° |
| C26 | C25 | C23 | H73 | 120.6° | 120.0° |
| C26 | C25 | C23 | N22 | 143.2° | 180.0° |
| C26 | C25 | H57 | H73 | 118.1° | 120.0° |
| C25 | C26 | H58 | H59 | 120.0° | 120.0° |
| C25 | C26 | H58 | H1 | 120.0° | 120.0° |
| C25 | C26 | H59 | H1 | 120.0° | 120.0° |
| O24 | C23 | C25 | N22 | 179.6° | 180.0° |
| O24 | C23 | N22 | C21 | 5.1° | 5.1° |
| O24 | C23 | C25 | H57 | 157.8° | 120.0° |
| O24 | C23 | C25 | H73 | 83.4° | 120.0° |
| O24 | C23 | N22 | H56 | 174.9° | 174.9° |
| N29 | N30 | C32 | H31 | 180.0° | 180.0° |
| N30 | N29 | C14 | N15 | 180.0° | 179.9° |
| N30 | N29 | C14 | C13 | 0.0° | 0.0° |
| N29 | N30 | C32 | C13 | 0.0° | 0.0° |
| N29 | N30 | C32 | C33 | 179.9° | 179.9° |
| C14 | N29 | N30 | C32 | 0.0° | 0.0° |
| N29 | C14 | N15 | C13 | 179.9° | 179.9° |
| N29 | C14 | N15 | C16 | 162.3° | 0.1° |
| N29 | C14 | C13 | C32 | 0.0° | 0.0° |
| N29 | C14 | C13 | C12 | 180.0° | 180.0° |
| N29 | C14 | N15 | H53 | 17.7° | 180.0° |
| C14 | N29 | N30 | H31 | 180.0° | 180.0° |
| N30 | C32 | C13 | C14 | 0.0° | 0.0° |
| N30 | C32 | C13 | C33 | 179.9° | 179.9° |
| N30 | C32 | C33 | C34 | 59.8° | 60.3° |
| N30 | C32 | C13 | C12 | 180.0° | 180.0° |
| N30 | C32 | C33 | C35 | 64.7° | 60.6° |
| N30 | C32 | C33 | N11 | 177.9° | 180.0° |
| C25 | C23 | N22 | C21 | 175.3° | 174.9° |
| C23 | C25 | H57 | H73 | 118.1° | 120.0° |
| C23 | C25 | C26 | H58 | 180.0° | 180.0° |
| C23 | C25 | C26 | H59 | 60.0° | 60.0° |
| C23 | C25 | C26 | H1 | 60.0° | 60.0° |
| C25 | C23 | N22 | H56 | 4.7° | 5.0° |
| C23 | N22 | C21 | C20 | 52.6° | 33.6° |
| C23 | N22 | C21 | H56 | 180.0° | 179.9° |
| C23 | N22 | C21 | C27 | 127.4° | 146.7° |
| N22 | C23 | C25 | H57 | 22.6° | 60.0° |
| N22 | C23 | C25 | H73 | 96.2° | 60.0° |
| C19 | C20 | C21 | H55 | 180.0° | 180.0° |
| C20 | C19 | C18 | H54 | 180.0° | 179.7° |
| C19 | C20 | C21 | N22 | 180.0° | 179.7° |
| C19 | C20 | C21 | C27 | 0.0° | 0.0° |
| C20 | C19 | C18 | C16 | 180.0° | 179.7° |
| C20 | C19 | C18 | C28 | 0.1° | 0.3° |
| C21 | C20 | C19 | C18 | 0.0° | 0.0° |
| C20 | C21 | N22 | C27 | 180.0° | 179.7° |
| C20 | C21 | C27 | C28 | 0.0° | 0.3° |
| C21 | C20 | C19 | H54 | 180.0° | 179.7° |
| C20 | C21 | C27 | H60 | 180.0° | 179.8° |
| C20 | C21 | N22 | H56 | 127.3° | 146.4° |
| C19 | C18 | C16 | N15 | 17.7° | 180.0° |
| C19 | C18 | C16 | C28 | 179.9° | 180.0° |
| C19 | C18 | C16 | O17 | 161.9° | 0.0° |
| C19 | C18 | C28 | C27 | 0.1° | 0.6° |
| C19 | C18 | C28 | H61 | 179.9° | 180.0° |
| C18 | C19 | C20 | H55 | 180.0° | 180.0° |
| C14 | N15 | C16 | H53 | 180.0° | 179.9° |
| N15 | C14 | C13 | C32 | 180.0° | 179.9° |
| N15 | C14 | C13 | C12 | 0.1° | 0.1° |
| C14 | N15 | C16 | C18 | 172.4° | 180.0° |
| C14 | N15 | C16 | O17 | 8.0° | 0.0° |
| C13 | C14 | N15 | C16 | 17.6° | 180.0° |
| C14 | C13 | C32 | C12 | 180.0° | 180.0° |
| C14 | C13 | C32 | C33 | 180.0° | 180.0° |
| C14 | C13 | C12 | N11 | 177.9° | 180.0° |
| C14 | C13 | C12 | H51 | 63.3° | 60.5° |
| C14 | C13 | C12 | H52 | 59.0° | 60.4° |
| C13 | C14 | N15 | H53 | 162.4° | 0.1° |
| N15 | C16 | C18 | O17 | 179.6° | 180.0° |
| N15 | C16 | C18 | C28 | 162.3° | 0.0° |
| C13 | C32 | C33 | C34 | 120.3° | 119.6° |
| C13 | C32 | C33 | C35 | 115.2° | 119.5° |
| C13 | C32 | C33 | N11 | 2.2° | 0.1° |
| C32 | C13 | C12 | N11 | 2.1° | 0.0° |
| C32 | C13 | C12 | H51 | 116.7° | 119.5° |
| C32 | C13 | C12 | H52 | 120.9° | 119.6° |
| C13 | C32 | N30 | H31 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 122.4° | 120.9° |
| C32 | C33 | C34 | N11 | 112.9° | 118.1° |
| C33 | C32 | C13 | C12 | 0.1° | 0.1° |
| C32 | C33 | C35 | N11 | 112.6° | 118.0° |
| C32 | C33 | N11 | C12 | 3.6° | 0.0° |
| C32 | C33 | N11 | C9 | 177.7° | 180.0° |
| C32 | C33 | C35 | H66 | 180.0° | 58.5° |
| C32 | C33 | C35 | H67 | 60.0° | 178.6° |
| C32 | C33 | C35 | H65 | 60.0° | 61.5° |
| C33 | C32 | N30 | H31 | 0.1° | 0.1° |
| C32 | C33 | C34 | H64 | 180.0° | 61.4° |
| C32 | C33 | C34 | H62 | 60.0° | 178.5° |
| C32 | C33 | C34 | H63 | 60.0° | 58.5° |
| C34 | C33 | C35 | N11 | 125.0° | 121.0° |
| C34 | C33 | N11 | C12 | 120.7° | 119.6° |
| C34 | C33 | N11 | C9 | 60.7° | 60.4° |
| C34 | C33 | C35 | H66 | 57.6° | 179.5° |
| C34 | C33 | C35 | H67 | 62.4° | 60.5° |
| C34 | C33 | C35 | H65 | 177.6° | 59.5° |
| C33 | C34 | H64 | H62 | 120.0° | 120.1° |
| C33 | C34 | H64 | H63 | 120.0° | 120.0° |
| C33 | C34 | H62 | H63 | 120.0° | 120.0° |
| N22 | C21 | C27 | C28 | 180.0° | 180.0° |
| N22 | C21 | C27 | H60 | 0.0° | 0.0° |
| N22 | C21 | C20 | H55 | 0.0° | 0.3° |
| C21 | C27 | C28 | C18 | 0.1° | 0.5° |
| C21 | C27 | C28 | H60 | 180.0° | 180.0° |
| C21 | C27 | C28 | H61 | 179.9° | 180.0° |
| C27 | C21 | N22 | H56 | 52.6° | 33.4° |
| C27 | C21 | C20 | H55 | 180.0° | 180.0° |
| C13 | C12 | N11 | C33 | 3.5° | 0.0° |
| C13 | C12 | N11 | H51 | 118.8° | 119.5° |
| C13 | C12 | N11 | H52 | 118.8° | 119.6° |
| C13 | C12 | N11 | C9 | 177.8° | 179.9° |
| C13 | C12 | H51 | H52 | 123.4° | 121.0° |
| C16 | C18 | C28 | C27 | 180.0° | 179.5° |
| C16 | C18 | C19 | H54 | 0.0° | 0.0° |
| C16 | C18 | C28 | H61 | 0.1° | 0.0° |
| C18 | C16 | N15 | H53 | 7.6° | 0.0° |
| C28 | C18 | C16 | O17 | 18.2° | 180.0° |
| C18 | C28 | C27 | H61 | 180.0° | 179.5° |
| C28 | C18 | C19 | H54 | 180.0° | 180.0° |
| C18 | C28 | C27 | H60 | 180.0° | 179.5° |
| O17 | C16 | N15 | H53 | 172.0° | 180.0° |
| C35 | C33 | N11 | C12 | 113.2° | 119.5° |
| C35 | C33 | N11 | C9 | 65.5° | 60.6° |
| C33 | C35 | H66 | H67 | 120.0° | 120.0° |
| C33 | C35 | H66 | H65 | 120.0° | 120.0° |
| C33 | C35 | H67 | H65 | 120.0° | 120.0° |
| C35 | C33 | C34 | H64 | 57.6° | 59.5° |
| C35 | C33 | C34 | H62 | 177.6° | 60.5° |
| C35 | C33 | C34 | H63 | 62.4° | 179.5° |
| C33 | N11 | C12 | C9 | 178.6° | 179.9° |
| C33 | N11 | C9 | O10 | 0.1° | 0.1° |
| C33 | N11 | C9 | N8 | 180.0° | 180.0° |
| C33 | N11 | C12 | H51 | 115.3° | 119.5° |
| C33 | N11 | C12 | H52 | 122.3° | 119.6° |
| N11 | C33 | C35 | H66 | 67.4° | 59.5° |
| N11 | C33 | C35 | H67 | 172.6° | 60.6° |
| N11 | C33 | C35 | H65 | 52.6° | 179.5° |
| N11 | C33 | C34 | H64 | 67.1° | 179.5° |
| N11 | C33 | C34 | H62 | 52.9° | 60.4° |
| N11 | C33 | C34 | H63 | 172.9° | 59.6° |
| C12 | N11 | C9 | O10 | 178.4° | 180.0° |
| C12 | N11 | C9 | N8 | 1.5° | 0.1° |
| N11 | C12 | H51 | H52 | 123.4° | 121.0° |
| N11 | C9 | O10 | N8 | 179.9° | 179.9° |
| N11 | C9 | N8 | C6 | 173.8° | 175.3° |
| C9 | N11 | C12 | H51 | 63.3° | 60.6° |
| C9 | N11 | C12 | H52 | 59.1° | 60.3° |
| N11 | C9 | N8 | H50 | 6.2° | 4.8° |
| O10 | C9 | N8 | C6 | 6.3° | 4.6° |
| O10 | C9 | N8 | H50 | 173.8° | 175.3° |
| C9 | N8 | C6 | H50 | 180.0° | 179.9° |
| C9 | N8 | C6 | C5 | 145.5° | 87.9° |
| C9 | N8 | C6 | C36 | 89.9° | 152.0° |
| C9 | N8 | C6 | H7 | 28.8° | 32.0° |
| C1 | N2 | C5 | C4 | 126.7° | 123.9° |
| C1 | N2 | C5 | C6 | 89.8° | 72.7° |
| N2 | C1 | H42 | H43 | 120.0° | 120.0° |
| N2 | C1 | H42 | H44 | 120.0° | 120.0° |
| N2 | C1 | H43 | H44 | 119.9° | 120.0° |
| C1 | N2 | C5 | H49 | 30.7° | 167.3° |
| C1 | N2 | C5 | H48 | 149.8° | 47.3° |
| C1 | N2 | C4 | H45 | 180.0° | 56.1° |
| C1 | N2 | C4 | H46 | 60.0° | 176.0° |
| C1 | N2 | C4 | H47 | 60.0° | 64.0° |
| N8 | C6 | C5 | N2 | 118.9° | 175.7° |
| N8 | C6 | C5 | C36 | 126.9° | 120.0° |
| N8 | C6 | C5 | H7 | 117.1° | 119.9° |
| N8 | C6 | C36 | H7 | 119.2° | 120.0° |
| N8 | C6 | C36 | C37 | 24.8° | 140.0° |
| N8 | C6 | C36 | C41 | 155.1° | 39.8° |
| N8 | C6 | C5 | H49 | 1.5° | 64.3° |
| N8 | C6 | C5 | H48 | 120.7° | 55.7° |
| N2 | C5 | C6 | H49 | 120.4° | 120.0° |
| N2 | C5 | C6 | H48 | 120.4° | 120.0° |
| N2 | C5 | C6 | C36 | 114.2° | 64.2° |
| C5 | N2 | C1 | H42 | 180.0° | 55.7° |
| C5 | N2 | C1 | H43 | 60.0° | 175.7° |
| C5 | N2 | C1 | H44 | 60.0° | 64.3° |
| N2 | C5 | H49 | H48 | 118.7° | 119.9° |
| N2 | C5 | C6 | H7 | 1.7° | 55.8° |
| C5 | N2 | C4 | H45 | 52.8° | 180.0° |
| C5 | N2 | C4 | H46 | 67.1° | 60.0° |
| C5 | N2 | C4 | H47 | 172.9° | 60.0° |
| C4 | N2 | C5 | C6 | 143.5° | 163.3° |
| C4 | N2 | C1 | H42 | 51.8° | 179.7° |
| C4 | N2 | C1 | H43 | 68.2° | 60.3° |
| C4 | N2 | C1 | H44 | 171.8° | 59.7° |
| C4 | N2 | C5 | H49 | 96.1° | 43.3° |
| C4 | N2 | C5 | H48 | 23.1° | 76.6° |
| N2 | C4 | H45 | H46 | 120.0° | 119.9° |
| N2 | C4 | H45 | H47 | 120.0° | 120.1° |
| N2 | C4 | H46 | H47 | 120.0° | 120.0° |
| C5 | C6 | C36 | H7 | 116.0° | 120.0° |
| C5 | C6 | C36 | C37 | 100.1° | 100.0° |
| C5 | C6 | C36 | C41 | 80.0° | 80.2° |
| C6 | C5 | H49 | H48 | 118.8° | 120.1° |
| C5 | C6 | N8 | H50 | 34.5° | 92.0° |
| C6 | C36 | C37 | C41 | 179.9° | 179.8° |
| C6 | C36 | C37 | C38 | 180.0° | 180.0° |
| C6 | C36 | C41 | C40 | 180.0° | 179.8° |
| C36 | C6 | C5 | H49 | 125.4° | 55.7° |
| C36 | C6 | C5 | H48 | 6.2° | 175.8° |
| C6 | C36 | C37 | H68 | 0.0° | 0.0° |
| C36 | C6 | N8 | H50 | 90.1° | 28.1° |
| C6 | C36 | C41 | H72 | 0.0° | 0.0° |
| C36 | C37 | C38 | H68 | 180.0° | 180.0° |
| C37 | C36 | C41 | C40 | 0.1° | 0.5° |
| C36 | C37 | C38 | C39 | 0.1° | 0.0° |
| C37 | C36 | C6 | H7 | 144.0° | 20.0° |
| C36 | C37 | C38 | H69 | 179.9° | 180.0° |
| C37 | C36 | C41 | H72 | 179.9° | 179.8° |
| C41 | C36 | C37 | C38 | 0.1° | 0.2° |
| C36 | C41 | C40 | H72 | 180.0° | 179.8° |
| C36 | C41 | C40 | C39 | 0.1° | 0.5° |
| C41 | C36 | C6 | H7 | 35.9° | 159.8° |
| C41 | C36 | C37 | H68 | 179.9° | 179.7° |
| C36 | C41 | C40 | H71 | 180.0° | 179.7° |
| C37 | C38 | C39 | H69 | 180.0° | 180.0° |
| C37 | C38 | C39 | C40 | 0.0° | 0.0° |
| C37 | C38 | C39 | H70 | 180.0° | 179.9° |
| C41 | C40 | C39 | C38 | 0.0° | 0.2° |
| C41 | C40 | C39 | H71 | 180.0° | 179.8° |
| C41 | C40 | C39 | H70 | 180.0° | 179.8° |
| C38 | C39 | C40 | H70 | 180.0° | 179.9° |
| C39 | C38 | C37 | H68 | 179.9° | 180.0° |
| C38 | C39 | C40 | H71 | 180.0° | 180.0° |
| C40 | C39 | C38 | H69 | 180.0° | 180.0° |
| C39 | C40 | C41 | H72 | 179.9° | 179.8° |
| H42 | C1 | H43 | H44 | 120.0° | 120.0° |
| H49 | C5 | C6 | H7 | 118.7° | 175.8° |
| H48 | C5 | C6 | H7 | 122.1° | 64.2° |
| H7 | C6 | N8 | H50 | 151.1° | 148.0° |
| H54 | C19 | C20 | H55 | 0.0° | 0.3° |
| H57 | C25 | C26 | H58 | 59.4° | 60.0° |
| H57 | C25 | C26 | H59 | 60.6° | 180.0° |
| H57 | C25 | C26 | H1 | 179.4° | 60.0° |
| H73 | C25 | C26 | H58 | 59.4° | 60.0° |
| H73 | C25 | C26 | H59 | 179.4° | 60.0° |
| H73 | C25 | C26 | H1 | 60.6° | 180.0° |
| H58 | C26 | H59 | H1 | 120.0° | 120.0° |
| H60 | C27 | C28 | H61 | 0.1° | 0.0° |
| H66 | C35 | H67 | H65 | 120.0° | 120.0° |
| H68 | C37 | C38 | H69 | 0.1° | 0.0° |
| H69 | C38 | C39 | H70 | 0.0° | 0.0° |
| H70 | C39 | C40 | H71 | 0.0° | 0.0° |
| H71 | C40 | C41 | H72 | 0.1° | 0.0° |
| H45 | C4 | H46 | H47 | 120.0° | 120.0° |
| H64 | C34 | H62 | H63 | 120.0° | 119.9° |
