A1H4Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.40Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.41Å | 1.40Å | Aromatic |
| C1 | C9 | sing | 1.48Å | 1.46Å | |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C25 | sing | 1.50Å | 1.51Å | |
| C3 | N4 | doub | 1.33Å | 1.34Å | Aromatic |
| C3 | C28 | sing | 1.51Å | 1.48Å | |
| N4 | C5 | sing | 1.31Å | 1.34Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.42Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.53Å | |
| C6 | C8 | sing | 1.48Å | 1.43Å | |
| C7 | C19 | sing | 1.54Å | 1.58Å | |
| C7 | C22 | sing | 1.54Å | 1.54Å | |
| C7 | C23 | sing | 1.53Å | 1.55Å | |
| C8 | N15 | sing | 1.36Å | 1.36Å | Aromatic |
| C8 | N18 | doub | 1.32Å | 1.36Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.43Å | Aromatic |
| C9 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.42Å | Aromatic |
| N15 | N16 | sing | 1.41Å | 1.37Å | Aromatic |
| N16 | N17 | doub | 1.29Å | 1.29Å | Aromatic |
| N17 | N18 | sing | 1.28Å | 1.35Å | Aromatic |
| C19 | C20 | sing | 1.55Å | 1.52Å | |
| C20 | C21 | sing | 1.55Å | 1.52Å | |
| C21 | C22 | sing | 1.54Å | 1.54Å | |
| C23 | O24 | sing | 1.43Å | 1.42Å | |
| O24 | C34 | sing | 1.43Å | 1.39Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| C26 | C29 | sing | 1.53Å | 1.54Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.56Å | |
| C30 | C31 | sing | 1.53Å | 1.51Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C10 | H35 | sing | 1.08Å | 1.08Å | |
| C11 | H36 | sing | 1.08Å | 1.08Å | |
| C13 | H38 | sing | 1.08Å | 1.08Å | |
| C19 | H42 | sing | 1.09Å | 1.10Å | |
| C19 | H41 | sing | 1.09Å | 1.10Å | |
| C20 | H44 | sing | 1.09Å | 1.10Å | |
| C20 | H43 | sing | 1.09Å | 1.10Å | |
| C21 | H46 | sing | 1.09Å | 1.10Å | |
| C21 | H45 | sing | 1.09Å | 1.10Å | |
| C22 | H48 | sing | 1.09Å | 1.10Å | |
| C22 | H47 | sing | 1.09Å | 1.10Å | |
| C23 | H50 | sing | 1.09Å | 1.10Å | |
| C23 | H49 | sing | 1.09Å | 1.10Å | |
| C25 | H52 | sing | 1.09Å | 1.10Å | |
| C25 | H51 | sing | 1.09Å | 1.10Å | |
| C26 | H53 | sing | 1.09Å | 1.10Å | |
| C27 | H55 | sing | 1.09Å | 1.10Å | |
| C27 | H54 | sing | 1.09Å | 1.10Å | |
| C28 | H56 | sing | 1.09Å | 1.10Å | |
| C28 | H57 | sing | 1.09Å | 1.10Å | |
| C12 | H37 | sing | 1.08Å | 1.08Å | |
| C14 | H39 | sing | 1.08Å | 1.08Å | |
| N15 | H40 | sing | 0.97Å | 1.00Å | |
| C29 | H59 | sing | 1.09Å | 1.10Å | |
| C29 | H58 | sing | 1.09Å | 1.10Å | |
| C30 | H61 | sing | 1.09Å | 1.10Å | |
| C30 | H60 | sing | 1.09Å | 1.10Å | |
| C31 | H62 | sing | 1.09Å | 1.10Å | |
| C31 | H63 | sing | 1.09Å | 1.10Å | |
| C32 | H65 | sing | 1.09Å | 1.10Å | |
| C32 | H64 | sing | 1.09Å | 1.10Å | |
| C33 | H66 | sing | 1.09Å | 1.10Å | |
| C33 | H68 | sing | 1.09Å | 1.10Å | |
| C33 | H67 | sing | 1.09Å | 1.10Å | |
| C34 | H69 | sing | 1.09Å | 1.10Å | |
| C34 | H71 | sing | 1.09Å | 1.10Å | |
| C34 | H70 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.1° | 118.5° |
| C2 | C1 | C9 | 118.3° | 120.7° |
| C1 | C2 | C3 | 117.0° | 119.2° |
| C1 | C2 | C25 | 120.1° | 117.9° |
| C6 | C1 | C9 | 121.4° | 120.7° |
| C1 | C6 | C5 | 118.4° | 118.4° |
| C1 | C6 | C8 | 117.0° | 120.8° |
| C1 | C9 | C10 | 116.3° | 120.1° |
| C1 | C9 | C14 | 124.5° | 120.1° |
| C3 | C2 | C25 | 123.0° | 122.9° |
| C2 | C3 | N4 | 123.5° | 120.4° |
| C2 | C3 | C28 | 121.0° | 122.2° |
| C2 | C25 | C26 | 112.6° | 110.6° |
| C2 | C25 | H52 | 108.7° | 109.3° |
| C2 | C25 | H51 | 108.7° | 109.2° |
| N4 | C3 | C28 | 115.5° | 117.4° |
| C3 | N4 | C5 | 120.6° | 122.9° |
| C3 | C28 | C27 | 111.5° | 110.6° |
| C3 | C28 | H56 | 108.9° | 109.2° |
| C3 | C28 | H57 | 109.0° | 109.2° |
| N4 | C5 | C6 | 120.4° | 120.5° |
| N4 | C5 | C7 | 115.0° | 119.7° |
| C6 | C5 | C7 | 124.5° | 119.8° |
| C5 | C6 | C8 | 124.5° | 120.8° |
| C5 | C7 | C19 | 107.7° | 110.0° |
| C5 | C7 | C22 | 117.7° | 110.0° |
| C5 | C7 | C23 | 111.4° | 110.0° |
| C6 | C8 | N15 | 127.2° | 126.5° |
| C6 | C8 | N18 | 125.1° | 126.5° |
| C19 | C7 | C22 | 104.2° | 106.6° |
| C19 | C7 | C23 | 104.6° | 110.0° |
| C7 | C19 | C20 | 106.1° | 104.2° |
| C7 | C19 | H42 | 110.3° | 110.5° |
| C7 | C19 | H41 | 110.3° | 110.6° |
| C22 | C7 | C23 | 110.1° | 110.1° |
| C7 | C22 | C21 | 106.8° | 106.6° |
| C7 | C22 | H48 | 110.1° | 110.0° |
| C7 | C22 | H47 | 110.1° | 110.1° |
| C7 | C23 | O24 | 109.3° | 109.5° |
| C7 | C23 | H50 | 109.5° | 109.5° |
| C7 | C23 | H49 | 109.5° | 109.5° |
| N15 | C8 | N18 | 107.7° | 107.0° |
| C8 | N15 | N16 | 107.2° | 105.2° |
| C8 | N15 | H40 | 126.4° | 127.3° |
| C8 | N18 | N17 | 106.2° | 110.5° |
| C10 | C9 | C14 | 119.2° | 119.8° |
| C9 | C10 | C11 | 120.7° | 119.8° |
| C9 | C10 | H35 | 119.6° | 120.1° |
| C9 | C14 | C13 | 119.5° | 119.9° |
| C9 | C14 | H39 | 120.2° | 120.0° |
| C10 | C11 | C12 | 119.2° | 120.2° |
| C11 | C10 | H35 | 119.6° | 120.1° |
| C10 | C11 | H36 | 120.4° | 119.9° |
| C11 | C12 | C13 | 120.5° | 120.2° |
| C12 | C11 | H36 | 120.4° | 119.9° |
| C11 | C12 | H37 | 119.7° | 119.9° |
| C12 | C13 | C14 | 120.8° | 120.1° |
| C12 | C13 | H38 | 119.6° | 119.9° |
| C13 | C12 | H37 | 119.8° | 119.8° |
| C14 | C13 | H38 | 119.6° | 119.9° |
| C13 | C14 | H39 | 120.3° | 120.1° |
| N15 | N16 | N17 | 107.8° | 106.9° |
| N16 | N15 | H40 | 126.4° | 127.5° |
| N16 | N17 | N18 | 111.0° | 110.4° |
| C19 | C20 | C21 | 102.4° | 102.7° |
| C20 | C19 | H42 | 110.3° | 110.4° |
| C20 | C19 | H41 | 110.3° | 110.4° |
| C19 | C20 | H44 | 111.2° | 110.8° |
| C19 | C20 | H43 | 111.2° | 110.8° |
| C20 | C21 | C22 | 105.7° | 104.2° |
| C21 | C20 | H44 | 111.2° | 110.7° |
| C21 | C20 | H43 | 111.2° | 110.8° |
| C20 | C21 | H46 | 110.4° | 110.5° |
| C20 | C21 | H45 | 110.4° | 110.5° |
| C22 | C21 | H46 | 110.4° | 110.5° |
| C22 | C21 | H45 | 110.4° | 110.5° |
| C21 | C22 | H48 | 110.1° | 110.1° |
| C21 | C22 | H47 | 110.1° | 110.1° |
| C23 | O24 | C34 | 112.8° | 114.0° |
| O24 | C23 | H50 | 109.5° | 109.4° |
| O24 | C23 | H49 | 109.5° | 109.4° |
| O24 | C34 | H69 | 109.5° | 109.5° |
| O24 | C34 | H71 | 109.5° | 109.5° |
| O24 | C34 | H70 | 109.5° | 109.5° |
| C25 | C26 | C27 | 108.7° | 108.3° |
| C25 | C26 | C29 | 111.0° | 109.7° |
| C26 | C25 | H52 | 108.7° | 109.2° |
| C26 | C25 | H51 | 108.7° | 109.2° |
| C25 | C26 | H53 | 108.6° | 109.6° |
| C27 | C26 | C29 | 111.0° | 109.7° |
| C26 | C27 | C28 | 109.6° | 108.5° |
| C27 | C26 | H53 | 108.9° | 109.6° |
| C26 | C27 | H55 | 109.4° | 109.6° |
| C26 | C27 | H54 | 109.4° | 109.6° |
| C26 | C29 | C30 | 109.9° | 109.5° |
| C29 | C26 | H53 | 108.6° | 109.8° |
| C26 | C29 | H59 | 109.3° | 109.5° |
| C26 | C29 | H58 | 109.4° | 109.5° |
| C28 | C27 | H55 | 109.4° | 109.7° |
| C28 | C27 | H54 | 109.4° | 109.7° |
| C27 | C28 | H56 | 108.9° | 109.3° |
| C27 | C28 | H57 | 109.0° | 109.2° |
| C29 | C30 | C31 | 108.8° | 109.5° |
| C30 | C29 | H59 | 109.4° | 109.5° |
| C30 | C29 | H58 | 109.3° | 109.5° |
| C29 | C30 | H61 | 109.6° | 109.5° |
| C29 | C30 | H60 | 109.6° | 109.5° |
| C30 | C31 | C32 | 112.8° | 109.5° |
| C31 | C30 | H61 | 109.7° | 109.5° |
| C31 | C30 | H60 | 109.6° | 109.5° |
| C30 | C31 | H62 | 108.6° | 109.5° |
| C30 | C31 | H63 | 108.6° | 109.5° |
| C31 | C32 | C33 | 106.2° | 109.4° |
| C32 | C31 | H62 | 108.6° | 109.4° |
| C32 | C31 | H63 | 108.6° | 109.5° |
| C31 | C32 | H65 | 110.3° | 109.4° |
| C31 | C32 | H64 | 110.3° | 109.5° |
| C33 | C32 | H65 | 110.3° | 109.5° |
| C33 | C32 | H64 | 110.3° | 109.5° |
| C32 | C33 | H66 | 109.5° | 109.4° |
| C32 | C33 | H68 | 109.5° | 109.5° |
| C32 | C33 | H67 | 109.5° | 109.4° |
| H42 | C19 | H41 | 109.5° | 110.5° |
| H44 | C20 | H43 | 109.5° | 110.9° |
| H46 | C21 | H45 | 109.5° | 110.5° |
| H48 | C22 | H47 | 109.5° | 110.0° |
| H50 | C23 | H49 | 109.5° | 109.5° |
| H52 | C25 | H51 | 109.5° | 109.2° |
| H55 | C27 | H54 | 109.5° | 109.8° |
| H56 | C28 | H57 | 109.5° | 109.2° |
| H59 | C29 | H58 | 109.5° | 109.5° |
| H61 | C30 | H60 | 109.5° | 109.4° |
| H62 | C31 | H63 | 109.5° | 109.5° |
| H65 | C32 | H64 | 109.5° | 109.5° |
| H66 | C33 | H68 | 109.4° | 109.5° |
| H66 | C33 | H67 | 109.5° | 109.5° |
| H68 | C33 | H67 | 109.5° | 109.5° |
| H69 | C34 | H71 | 109.5° | 109.5° |
| H69 | C34 | H70 | 109.5° | 109.4° |
| H71 | C34 | H70 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C9 | 175.0° | 180.0° |
| C1 | C2 | C3 | C25 | 179.4° | 179.6° |
| C1 | C2 | C3 | N4 | 0.3° | 0.4° |
| C1 | C2 | C3 | C28 | 178.7° | 179.2° |
| C2 | C1 | C6 | C5 | 2.7° | 0.1° |
| C2 | C1 | C6 | C8 | 179.1° | 180.0° |
| C2 | C1 | C9 | C10 | 76.5° | 112.4° |
| C2 | C1 | C9 | C14 | 102.9° | 67.6° |
| C1 | C2 | C25 | C26 | 167.1° | 162.5° |
| C1 | C2 | C25 | H52 | 46.7° | 77.1° |
| C1 | C2 | C25 | H51 | 72.4° | 42.3° |
| C6 | C1 | C2 | C3 | 1.7° | 0.2° |
| C6 | C1 | C2 | C25 | 177.7° | 179.4° |
| C1 | C6 | C5 | N4 | 1.7° | 0.2° |
| C1 | C6 | C5 | C8 | 176.1° | 180.0° |
| C1 | C6 | C5 | C7 | 177.4° | 179.8° |
| C1 | C6 | C8 | N15 | 92.2° | 11.7° |
| C1 | C6 | C8 | N18 | 88.4° | 167.9° |
| C6 | C1 | C9 | C10 | 98.6° | 67.6° |
| C6 | C1 | C9 | C14 | 82.0° | 112.5° |
| C9 | C1 | C2 | C3 | 176.9° | 179.8° |
| C9 | C1 | C2 | C25 | 2.5° | 0.6° |
| C9 | C1 | C6 | C5 | 177.7° | 179.9° |
| C9 | C1 | C6 | C8 | 5.9° | 0.0° |
| C1 | C9 | C10 | C14 | 179.4° | 180.0° |
| C1 | C9 | C10 | C11 | 179.9° | 180.0° |
| C1 | C9 | C14 | C13 | 178.9° | 179.4° |
| C1 | C9 | C10 | H35 | 0.1° | 0.3° |
| C1 | C9 | C14 | H39 | 1.1° | 0.2° |
| C2 | C3 | N4 | C28 | 178.5° | 179.6° |
| C2 | C3 | N4 | C5 | 1.4° | 0.3° |
| C3 | C2 | C25 | C26 | 13.5° | 17.8° |
| C2 | C3 | C28 | C27 | 21.9° | 18.3° |
| C3 | C2 | C25 | H52 | 133.9° | 102.5° |
| C3 | C2 | C25 | H51 | 107.0° | 138.1° |
| C2 | C3 | C28 | H56 | 142.2° | 102.0° |
| C2 | C3 | C28 | H57 | 98.4° | 138.6° |
| C25 | C2 | C3 | N4 | 179.7° | 179.2° |
| C25 | C2 | C3 | C28 | 1.9° | 1.2° |
| C2 | C25 | C26 | H52 | 120.5° | 120.3° |
| C2 | C25 | C26 | H51 | 120.5° | 120.3° |
| C2 | C25 | C26 | C27 | 44.6° | 50.8° |
| C2 | C25 | C26 | C29 | 166.8° | 170.6° |
| C2 | C25 | H52 | H51 | 118.6° | 119.4° |
| C2 | C25 | C26 | H53 | 73.8° | 68.8° |
| C3 | N4 | C5 | C6 | 0.3° | 0.0° |
| C3 | N4 | C5 | C7 | 175.8° | 180.0° |
| N4 | C3 | C28 | C27 | 159.6° | 162.1° |
| N4 | C3 | C28 | H56 | 39.3° | 77.6° |
| N4 | C3 | C28 | H57 | 80.1° | 41.8° |
| C28 | C3 | N4 | C5 | 179.8° | 179.3° |
| C3 | C28 | C27 | C26 | 54.1° | 51.4° |
| C3 | C28 | C27 | H56 | 120.3° | 120.3° |
| C3 | C28 | C27 | H57 | 120.3° | 120.3° |
| C3 | C28 | C27 | H55 | 174.1° | 171.1° |
| C3 | C28 | C27 | H54 | 66.0° | 68.3° |
| C3 | C28 | H56 | H57 | 119.1° | 119.4° |
| N4 | C5 | C6 | C7 | 175.7° | 180.0° |
| N4 | C5 | C6 | C8 | 177.8° | 179.9° |
| N4 | C5 | C7 | C19 | 114.8° | 115.4° |
| N4 | C5 | C7 | C22 | 127.9° | 1.7° |
| N4 | C5 | C7 | C23 | 0.6° | 123.3° |
| C6 | C5 | C7 | C19 | 61.1° | 64.6° |
| C6 | C5 | C7 | C22 | 56.2° | 178.3° |
| C6 | C5 | C7 | C23 | 175.3° | 56.8° |
| C5 | C6 | C8 | N15 | 91.7° | 168.2° |
| C5 | C6 | C8 | N18 | 87.8° | 12.1° |
| C7 | C5 | C6 | C8 | 6.5° | 0.1° |
| C5 | C7 | C19 | C22 | 125.7° | 119.3° |
| C5 | C7 | C19 | C23 | 118.6° | 121.3° |
| C5 | C7 | C22 | C23 | 129.1° | 121.4° |
| C5 | C7 | C19 | C20 | 147.7° | 142.9° |
| C5 | C7 | C22 | C21 | 117.9° | 119.3° |
| C5 | C7 | C23 | O24 | 75.0° | 66.6° |
| C5 | C7 | C19 | H42 | 92.8° | 24.3° |
| C5 | C7 | C19 | H41 | 28.3° | 98.4° |
| C5 | C7 | C22 | H48 | 1.7° | 121.4° |
| C5 | C7 | C22 | H47 | 122.6° | 0.1° |
| C5 | C7 | C23 | H50 | 45.0° | 53.4° |
| C5 | C7 | C23 | H49 | 165.0° | 173.4° |
| C6 | C8 | N15 | N18 | 179.5° | 179.7° |
| C6 | C8 | N15 | N16 | 179.9° | 179.9° |
| C6 | C8 | N18 | N17 | 180.0° | 179.9° |
| C6 | C8 | N15 | H40 | 0.1° | 0.1° |
| C19 | C7 | C22 | C23 | 111.7° | 119.3° |
| C7 | C19 | C20 | H42 | 119.4° | 118.7° |
| C7 | C19 | C20 | H41 | 119.5° | 118.8° |
| C7 | C19 | C20 | C21 | 36.7° | 37.9° |
| C19 | C7 | C22 | C21 | 1.3° | 0.0° |
| C19 | C7 | C23 | O24 | 168.9° | 172.0° |
| C7 | C19 | H42 | H41 | 121.6° | 122.8° |
| C7 | C19 | C20 | H44 | 82.2° | 80.3° |
| C7 | C19 | C20 | H43 | 155.5° | 156.2° |
| C19 | C7 | C22 | H48 | 120.9° | 119.4° |
| C19 | C7 | C22 | H47 | 118.2° | 119.3° |
| C19 | C7 | C23 | H50 | 71.1° | 67.9° |
| C19 | C7 | C23 | H49 | 48.9° | 52.1° |
| C22 | C7 | C19 | C20 | 22.0° | 23.6° |
| C7 | C22 | C21 | C20 | 24.2° | 23.6° |
| C7 | C22 | C21 | H48 | 119.6° | 119.2° |
| C7 | C22 | C21 | H47 | 119.6° | 119.3° |
| C22 | C7 | C23 | O24 | 57.4° | 54.8° |
| C22 | C7 | C19 | H42 | 141.4° | 95.0° |
| C22 | C7 | C19 | H41 | 97.5° | 142.3° |
| C7 | C22 | C21 | H46 | 143.6° | 142.3° |
| C7 | C22 | C21 | H45 | 95.2° | 95.1° |
| C7 | C22 | H48 | H47 | 121.2° | 121.4° |
| C22 | C7 | C23 | H50 | 177.4° | 174.8° |
| C22 | C7 | C23 | H49 | 62.5° | 65.1° |
| C23 | C7 | C19 | C20 | 93.7° | 95.8° |
| C23 | C7 | C22 | C21 | 113.0° | 119.3° |
| C7 | C23 | O24 | H50 | 120.0° | 120.1° |
| C7 | C23 | O24 | H49 | 120.0° | 120.0° |
| C7 | C23 | O24 | C34 | 160.5° | 180.0° |
| C23 | C7 | C19 | H42 | 25.8° | 145.6° |
| C23 | C7 | C19 | H41 | 146.9° | 22.9° |
| C23 | C7 | C22 | H48 | 127.4° | 0.0° |
| C23 | C7 | C22 | H47 | 6.5° | 121.4° |
| C7 | C23 | H50 | H49 | 120.1° | 120.1° |
| C8 | N15 | N16 | H40 | 180.0° | 179.9° |
| C8 | N15 | N16 | N17 | 0.5° | 0.0° |
| N15 | C8 | N18 | N17 | 0.5° | 0.4° |
| N18 | C8 | N15 | N16 | 0.6° | 0.3° |
| C8 | N18 | N17 | N16 | 0.1° | 0.5° |
| N18 | C8 | N15 | H40 | 179.4° | 179.8° |
| C9 | C10 | C11 | H35 | 180.0° | 179.8° |
| C9 | C10 | C11 | C12 | 0.5° | 0.3° |
| C10 | C9 | C14 | C13 | 0.5° | 0.5° |
| C9 | C10 | C11 | H36 | 179.5° | 179.8° |
| C10 | C9 | C14 | H39 | 179.5° | 179.7° |
| C14 | C9 | C10 | C11 | 0.4° | 0.0° |
| C9 | C14 | C13 | C12 | 1.3° | 0.8° |
| C9 | C14 | C13 | H39 | 180.0° | 179.2° |
| C14 | C9 | C10 | H35 | 179.6° | 179.8° |
| C9 | C14 | C13 | H38 | 178.6° | 180.0° |
| C10 | C11 | C12 | H36 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.4° | 0.0° |
| C10 | C11 | C12 | H37 | 179.6° | 180.0° |
| C11 | C12 | C13 | H37 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 1.3° | 0.5° |
| C12 | C11 | C10 | H35 | 179.5° | 180.0° |
| C11 | C12 | C13 | H38 | 178.7° | 179.7° |
| C12 | C13 | C14 | H38 | 180.0° | 179.2° |
| C13 | C12 | C11 | H36 | 179.6° | 180.0° |
| C12 | C13 | C14 | H39 | 178.7° | 180.0° |
| C14 | C13 | C12 | H37 | 178.7° | 179.5° |
| N15 | N16 | N17 | N18 | 0.3° | 0.3° |
| N17 | N16 | N15 | H40 | 179.5° | 179.9° |
| C19 | C20 | C21 | H44 | 118.8° | 118.3° |
| C19 | C20 | C21 | H43 | 118.8° | 118.3° |
| C19 | C20 | C21 | C22 | 37.4° | 37.9° |
| C20 | C19 | H42 | H41 | 121.6° | 122.5° |
| C19 | C20 | H44 | H43 | 123.3° | 123.4° |
| C19 | C20 | C21 | H46 | 156.8° | 156.6° |
| C19 | C20 | C21 | H45 | 82.0° | 80.8° |
| C20 | C21 | C22 | H46 | 119.4° | 118.7° |
| C20 | C21 | C22 | H45 | 119.4° | 118.7° |
| C21 | C20 | C19 | H42 | 156.1° | 80.8° |
| C21 | C20 | C19 | H41 | 82.8° | 156.8° |
| C21 | C20 | H44 | H43 | 123.3° | 123.3° |
| C20 | C21 | H46 | H45 | 121.7° | 122.6° |
| C20 | C21 | C22 | H48 | 143.8° | 95.7° |
| C20 | C21 | C22 | H47 | 95.4° | 142.9° |
| C22 | C21 | C20 | H44 | 81.4° | 80.4° |
| C22 | C21 | C20 | H43 | 156.2° | 156.2° |
| C22 | C21 | H46 | H45 | 121.8° | 122.6° |
| C21 | C22 | H48 | H47 | 121.2° | 121.4° |
| O24 | C23 | H50 | H49 | 120.1° | 119.9° |
| C23 | O24 | C34 | H69 | 180.0° | 60.0° |
| C23 | O24 | C34 | H71 | 60.0° | 60.0° |
| C23 | O24 | C34 | H70 | 60.0° | 179.9° |
| C34 | O24 | C23 | H50 | 40.5° | 60.0° |
| C34 | O24 | C23 | H49 | 79.5° | 60.0° |
| O24 | C34 | H69 | H71 | 120.0° | 120.0° |
| O24 | C34 | H69 | H70 | 120.0° | 120.0° |
| O24 | C34 | H71 | H70 | 120.0° | 120.1° |
| C25 | C26 | C27 | C29 | 122.3° | 119.7° |
| C25 | C26 | C27 | H53 | 118.2° | 119.6° |
| C25 | C26 | C29 | H53 | 119.3° | 120.5° |
| C25 | C26 | C27 | C28 | 66.0° | 69.7° |
| C25 | C26 | C29 | C30 | 67.6° | 175.0° |
| C26 | C25 | H52 | H51 | 118.6° | 119.4° |
| C25 | C26 | C27 | H55 | 174.0° | 170.6° |
| C25 | C26 | C27 | H54 | 54.0° | 50.0° |
| C25 | C26 | C29 | H59 | 52.5° | 55.0° |
| C25 | C26 | C29 | H58 | 172.3° | 65.0° |
| C27 | C26 | C29 | H53 | 119.7° | 120.6° |
| C26 | C27 | C28 | H55 | 120.0° | 119.7° |
| C26 | C27 | C28 | H54 | 120.0° | 119.6° |
| C27 | C26 | C29 | C30 | 171.4° | 66.1° |
| C27 | C26 | C25 | H52 | 165.0° | 69.5° |
| C27 | C26 | C25 | H51 | 75.9° | 171.1° |
| C26 | C27 | H55 | H54 | 119.9° | 120.4° |
| C26 | C27 | C28 | H56 | 174.3° | 68.9° |
| C26 | C27 | C28 | H57 | 66.3° | 171.7° |
| C27 | C26 | C29 | H59 | 68.5° | 173.9° |
| C27 | C26 | C29 | H58 | 51.4° | 53.9° |
| C29 | C26 | C27 | C28 | 171.7° | 170.6° |
| C26 | C29 | C30 | H59 | 120.1° | 120.0° |
| C26 | C29 | C30 | H58 | 120.1° | 120.0° |
| C26 | C29 | C30 | C31 | 107.4° | 180.0° |
| C29 | C26 | C25 | H52 | 72.7° | 50.3° |
| C29 | C26 | C25 | H51 | 46.4° | 69.2° |
| C29 | C26 | C27 | H55 | 51.7° | 50.8° |
| C29 | C26 | C27 | H54 | 68.3° | 69.8° |
| C26 | C29 | H59 | H58 | 119.8° | 120.0° |
| C26 | C29 | C30 | H61 | 132.7° | 59.9° |
| C26 | C29 | C30 | H60 | 12.5° | 60.0° |
| C28 | C27 | C26 | H53 | 52.2° | 49.9° |
| C28 | C27 | H55 | H54 | 119.9° | 120.6° |
| C27 | C28 | H56 | H57 | 119.1° | 119.4° |
| C29 | C30 | C31 | H61 | 119.9° | 120.0° |
| C29 | C30 | C31 | H60 | 119.9° | 120.0° |
| C29 | C30 | C31 | C32 | 175.1° | 180.0° |
| C30 | C29 | C26 | H53 | 51.7° | 54.5° |
| C30 | C29 | H59 | H58 | 119.8° | 120.0° |
| C29 | C30 | H61 | H60 | 120.3° | 120.0° |
| C29 | C30 | C31 | H62 | 64.4° | 60.0° |
| C29 | C30 | C31 | H63 | 54.6° | 60.0° |
| C30 | C31 | C32 | H62 | 120.5° | 120.0° |
| C30 | C31 | C32 | H63 | 120.5° | 120.0° |
| C30 | C31 | C32 | C33 | 171.6° | 180.0° |
| C31 | C30 | C29 | H59 | 12.6° | 60.0° |
| C31 | C30 | C29 | H58 | 132.5° | 60.0° |
| C31 | C30 | H61 | H60 | 120.3° | 120.0° |
| C30 | C31 | H62 | H63 | 118.5° | 120.0° |
| C30 | C31 | C32 | H65 | 68.9° | 60.0° |
| C30 | C31 | C32 | H64 | 52.1° | 60.0° |
| C31 | C32 | C33 | H65 | 119.5° | 119.9° |
| C31 | C32 | C33 | H64 | 119.5° | 120.0° |
| C32 | C31 | C30 | H61 | 55.2° | 60.0° |
| C32 | C31 | C30 | H60 | 65.0° | 60.0° |
| C32 | C31 | H62 | H63 | 118.5° | 120.0° |
| C31 | C32 | H65 | H64 | 121.5° | 120.0° |
| C31 | C32 | C33 | H66 | 180.0° | 60.0° |
| C31 | C32 | C33 | H68 | 60.0° | 60.0° |
| C31 | C32 | C33 | H67 | 60.0° | 180.0° |
| C33 | C32 | C31 | H62 | 51.1° | 60.0° |
| C33 | C32 | C31 | H63 | 67.9° | 60.0° |
| C33 | C32 | H65 | H64 | 121.5° | 120.0° |
| C32 | C33 | H66 | H68 | 120.0° | 120.0° |
| C32 | C33 | H66 | H67 | 120.0° | 119.9° |
| C32 | C33 | H68 | H67 | 120.0° | 120.0° |
| H35 | C10 | C11 | H36 | 0.5° | 0.0° |
| H36 | C11 | C12 | H37 | 0.4° | 0.0° |
| H38 | C13 | C12 | H37 | 1.3° | 0.3° |
| H38 | C13 | C14 | H39 | 1.4° | 0.8° |
| H42 | C19 | C20 | H44 | 37.2° | 161.0° |
| H42 | C19 | C20 | H43 | 85.0° | 37.5° |
| H41 | C19 | C20 | H44 | 158.3° | 38.5° |
| H41 | C19 | C20 | H43 | 36.0° | 84.9° |
| H44 | C20 | C21 | H46 | 38.0° | 38.3° |
| H44 | C20 | C21 | H45 | 159.2° | 160.9° |
| H43 | C20 | C21 | H46 | 84.4° | 85.1° |
| H43 | C20 | C21 | H45 | 36.8° | 37.6° |
| H46 | C21 | C22 | H48 | 96.8° | 23.0° |
| H46 | C21 | C22 | H47 | 24.0° | 98.4° |
| H45 | C21 | C22 | H48 | 24.4° | 145.7° |
| H45 | C21 | C22 | H47 | 145.2° | 24.2° |
| H52 | C25 | C26 | H53 | 46.6° | 170.9° |
| H51 | C25 | C26 | H53 | 165.7° | 51.5° |
| H53 | C26 | C27 | H55 | 67.8° | 69.8° |
| H53 | C26 | C27 | H54 | 172.2° | 169.6° |
| H53 | C26 | C29 | H59 | 171.8° | 65.5° |
| H53 | C26 | C29 | H58 | 68.3° | 174.4° |
| H55 | C27 | C28 | H56 | 65.6° | 50.8° |
| H55 | C27 | C28 | H57 | 53.8° | 68.6° |
| H54 | C27 | C28 | H56 | 54.3° | 171.5° |
| H54 | C27 | C28 | H57 | 173.7° | 52.0° |
| H59 | C29 | C30 | H61 | 107.3° | 180.0° |
| H59 | C29 | C30 | H60 | 132.6° | 60.0° |
| H58 | C29 | C30 | H61 | 12.6° | 60.0° |
| H58 | C29 | C30 | H60 | 107.6° | 180.0° |
| H61 | C30 | C31 | H62 | 175.7° | 180.0° |
| H61 | C30 | C31 | H63 | 65.3° | 60.0° |
| H60 | C30 | C31 | H62 | 55.5° | 60.0° |
| H60 | C30 | C31 | H63 | 174.5° | 180.0° |
| H62 | C31 | C32 | H65 | 170.6° | 180.0° |
| H62 | C31 | C32 | H64 | 68.4° | 60.0° |
| H63 | C31 | C32 | H65 | 51.6° | 60.0° |
| H63 | C31 | C32 | H64 | 172.6° | 180.0° |
| H65 | C32 | C33 | H66 | 60.5° | 180.0° |
| H65 | C32 | C33 | H68 | 179.5° | 60.0° |
| H65 | C32 | C33 | H67 | 59.5° | 60.1° |
| H64 | C32 | C33 | H66 | 60.5° | 60.0° |
| H64 | C32 | C33 | H68 | 59.5° | 180.0° |
| H64 | C32 | C33 | H67 | 179.5° | 59.9° |
| H66 | C33 | H68 | H67 | 120.0° | 120.0° |
| H69 | C34 | H71 | H70 | 120.0° | 119.9° |
