5RQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O29 | C28 | doub | 1.21Å | 1.24Å | |
| O30 | C28 | sing | 1.35Å | 1.26Å | |
| C28 | C27 | sing | 1.47Å | 1.48Å | |
| C27 | C26 | sing | 1.41Å | 1.41Å | Aromatic |
| C27 | C31 | doub | 1.38Å | 1.37Å | Aromatic |
| C26 | N25 | doub | 1.30Å | 1.32Å | Aromatic |
| C33 | C32 | sing | 1.53Å | 1.50Å | |
| C33 | C34 | sing | 1.53Å | 1.49Å | |
| C6 | C7 | sing | 1.55Å | 1.49Å | |
| C6 | C5 | sing | 1.54Å | 1.53Å | |
| C31 | C32 | sing | 1.51Å | 1.47Å | |
| C31 | N24 | sing | 1.35Å | 1.37Å | Aromatic |
| C32 | C34 | sing | 1.53Å | 1.50Å | |
| C7 | C8 | sing | 1.55Å | 1.51Å | |
| N25 | N24 | sing | 1.40Å | 1.37Å | Aromatic |
| N24 | C22 | sing | 1.40Å | 1.43Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C5 | N9 | sing | 1.47Å | 1.47Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C8 | N9 | sing | 1.47Å | 1.48Å | |
| C2 | C1 | sing | 1.53Å | 1.49Å | |
| N9 | C10 | sing | 1.35Å | 1.39Å | |
| C22 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| C23 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C12 | sing | 1.51Å | 1.54Å | |
| C10 | O11 | doub | 1.21Å | 1.23Å | |
| C12 | C17 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C18 | C16 | sing | 1.51Å | 1.52Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C1 | H40 | sing | 1.09Å | 1.10Å | |
| C1 | H38 | sing | 1.09Å | 1.10Å | |
| C1 | H39 | sing | 1.09Å | 1.10Å | |
| C2 | H42 | sing | 1.09Å | 1.10Å | |
| C2 | H41 | sing | 1.09Å | 1.10Å | |
| C3 | H43 | sing | 1.09Å | 1.10Å | |
| C3 | H44 | sing | 1.09Å | 1.10Å | |
| C5 | H35 | sing | 1.09Å | 1.10Å | |
| C6 | H47 | sing | 1.09Å | 1.10Å | |
| C6 | H48 | sing | 1.09Å | 1.10Å | |
| C7 | H49 | sing | 1.09Å | 1.10Å | |
| C7 | H50 | sing | 1.09Å | 1.10Å | |
| C8 | H51 | sing | 1.09Å | 1.10Å | |
| C8 | H52 | sing | 1.09Å | 1.10Å | |
| C12 | H36 | sing | 1.09Å | 1.10Å | |
| C13 | H54 | sing | 1.09Å | 1.10Å | |
| C13 | H53 | sing | 1.09Å | 1.10Å | |
| C14 | H55 | sing | 1.09Å | 1.10Å | |
| C14 | H56 | sing | 1.09Å | 1.10Å | |
| C15 | H58 | sing | 1.09Å | 1.10Å | |
| C15 | H57 | sing | 1.09Å | 1.10Å | |
| C16 | H37 | sing | 1.09Å | 1.10Å | |
| C19 | H61 | sing | 1.08Å | 1.08Å | |
| C21 | H63 | sing | 1.08Å | 1.08Å | |
| C23 | H64 | sing | 1.08Å | 1.08Å | |
| C26 | H65 | sing | 1.08Å | 1.08Å | |
| O30 | H1 | sing | 0.97Å | 0.95Å | |
| C4 | H46 | sing | 1.09Å | 1.10Å | |
| C4 | H45 | sing | 1.09Å | 1.10Å | |
| C17 | H59 | sing | 1.09Å | 1.10Å | |
| C17 | H60 | sing | 1.09Å | 1.10Å | |
| C20 | H62 | sing | 1.08Å | 1.08Å | |
| C32 | H66 | sing | 1.09Å | 1.10Å | |
| C33 | H68 | sing | 1.09Å | 1.10Å | |
| C33 | H67 | sing | 1.09Å | 1.10Å | |
| C34 | H70 | sing | 1.09Å | 1.10Å | |
| C34 | H69 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O29 | C28 | O30 | 124.6° | 120.0° |
| O29 | C28 | C27 | 118.7° | 120.0° |
| O30 | C28 | C27 | 116.7° | 120.0° |
| C28 | O30 | H1 | 109.5° | 117.0° |
| C28 | C27 | C26 | 126.9° | 126.4° |
| C28 | C27 | C31 | 126.8° | 126.4° |
| C26 | C27 | C31 | 106.3° | 107.2° |
| C27 | C26 | N25 | 111.4° | 108.0° |
| C27 | C26 | H65 | 124.3° | 126.0° |
| C27 | C31 | C32 | 130.9° | 126.3° |
| C27 | C31 | N24 | 105.6° | 107.4° |
| C26 | N25 | N24 | 104.9° | 109.0° |
| N25 | C26 | H65 | 124.3° | 125.9° |
| C32 | C33 | C34 | 60.4° | 60.0° |
| C33 | C32 | C31 | 119.7° | 117.5° |
| C33 | C32 | C34 | 59.2° | 60.0° |
| C33 | C32 | H66 | 115.2° | 117.5° |
| C32 | C33 | H68 | 119.9° | 117.5° |
| C32 | C33 | H67 | 120.0° | 117.5° |
| C33 | C34 | C32 | 60.4° | 60.0° |
| C34 | C33 | H68 | 119.9° | 117.5° |
| C34 | C33 | H67 | 119.9° | 117.5° |
| C33 | C34 | H70 | 119.9° | 117.5° |
| C33 | C34 | H69 | 119.9° | 117.5° |
| C7 | C6 | C5 | 103.3° | 103.0° |
| C6 | C7 | C8 | 103.5° | 101.6° |
| C7 | C6 | H47 | 111.0° | 110.7° |
| C7 | C6 | H48 | 111.0° | 110.8° |
| C6 | C7 | H49 | 110.9° | 111.0° |
| C6 | C7 | H50 | 110.9° | 111.0° |
| C6 | C5 | C4 | 113.1° | 109.9° |
| C6 | C5 | N9 | 101.5° | 107.2° |
| C6 | C5 | H35 | 109.8° | 110.0° |
| C5 | C6 | H47 | 111.0° | 110.7° |
| C5 | C6 | H48 | 111.0° | 110.7° |
| C32 | C31 | N24 | 123.5° | 126.3° |
| C31 | C32 | C34 | 119.6° | 117.5° |
| C31 | C32 | H66 | 115.9° | 115.5° |
| C31 | N24 | N25 | 111.9° | 108.4° |
| C31 | N24 | C22 | 129.9° | 125.8° |
| C34 | C32 | H66 | 115.2° | 117.5° |
| C32 | C34 | H70 | 120.0° | 117.5° |
| C32 | C34 | H69 | 119.9° | 117.5° |
| C7 | C8 | N9 | 103.2° | 104.9° |
| C8 | C7 | H49 | 111.0° | 111.0° |
| C8 | C7 | H50 | 111.0° | 111.0° |
| C7 | C8 | H51 | 111.0° | 110.4° |
| C7 | C8 | H52 | 111.0° | 110.3° |
| N25 | N24 | C22 | 118.2° | 125.8° |
| N24 | C22 | C23 | 118.2° | 120.1° |
| N24 | C22 | C21 | 121.6° | 120.0° |
| C4 | C5 | N9 | 111.6° | 109.9° |
| C5 | C4 | C3 | 113.8° | 109.4° |
| C4 | C5 | H35 | 110.0° | 109.9° |
| C5 | C4 | H46 | 108.4° | 109.5° |
| C5 | C4 | H45 | 108.4° | 109.5° |
| C5 | N9 | C8 | 111.6° | 108.7° |
| C5 | N9 | C10 | 124.0° | 125.6° |
| N9 | C5 | H35 | 110.6° | 109.9° |
| C2 | C3 | C4 | 113.2° | 109.5° |
| C3 | C2 | C1 | 113.2° | 109.5° |
| C3 | C2 | H42 | 108.5° | 109.5° |
| C3 | C2 | H41 | 108.6° | 109.5° |
| C2 | C3 | H43 | 108.5° | 109.5° |
| C2 | C3 | H44 | 108.5° | 109.5° |
| C4 | C3 | H43 | 108.5° | 109.5° |
| C4 | C3 | H44 | 108.6° | 109.4° |
| C3 | C4 | H46 | 108.4° | 109.5° |
| C3 | C4 | H45 | 108.4° | 109.5° |
| C8 | N9 | C10 | 124.3° | 125.7° |
| N9 | C8 | H51 | 111.0° | 110.4° |
| N9 | C8 | H52 | 111.0° | 110.4° |
| C2 | C1 | H40 | 109.5° | 109.5° |
| C2 | C1 | H38 | 109.5° | 109.4° |
| C2 | C1 | H39 | 109.5° | 109.4° |
| C1 | C2 | H42 | 108.5° | 109.5° |
| C1 | C2 | H41 | 108.5° | 109.5° |
| N9 | C10 | C12 | 120.9° | 120.0° |
| N9 | C10 | O11 | 120.8° | 120.0° |
| C23 | C22 | C21 | 120.2° | 119.9° |
| C22 | C23 | C18 | 121.5° | 119.9° |
| C22 | C23 | H64 | 119.3° | 120.1° |
| C22 | C21 | C20 | 119.5° | 119.9° |
| C22 | C21 | H63 | 120.3° | 120.1° |
| C23 | C18 | C16 | 117.4° | 119.9° |
| C23 | C18 | C19 | 118.2° | 120.1° |
| C18 | C23 | H64 | 119.3° | 120.0° |
| C12 | C10 | O11 | 118.3° | 120.0° |
| C10 | C12 | C17 | 108.4° | 109.4° |
| C10 | C12 | C13 | 112.9° | 109.5° |
| C10 | C12 | H36 | 108.3° | 109.5° |
| C17 | C12 | C13 | 110.3° | 109.4° |
| C12 | C17 | C16 | 111.4° | 109.5° |
| C17 | C12 | H36 | 108.4° | 109.5° |
| C12 | C17 | H59 | 109.0° | 109.5° |
| C12 | C17 | H60 | 108.9° | 109.4° |
| C12 | C13 | C14 | 112.0° | 109.5° |
| C13 | C12 | H36 | 108.4° | 109.5° |
| C12 | C13 | H54 | 108.8° | 109.5° |
| C12 | C13 | H53 | 108.8° | 109.5° |
| C21 | C20 | C19 | 120.1° | 120.1° |
| C20 | C21 | H63 | 120.3° | 120.1° |
| C21 | C20 | H62 | 120.0° | 119.9° |
| C17 | C16 | C18 | 109.5° | 109.4° |
| C17 | C16 | C15 | 108.7° | 109.5° |
| C17 | C16 | H37 | 107.1° | 109.5° |
| C16 | C17 | H59 | 109.0° | 109.5° |
| C16 | C17 | H60 | 109.0° | 109.5° |
| C16 | C18 | C19 | 124.4° | 120.0° |
| C18 | C16 | C15 | 116.6° | 109.5° |
| C18 | C16 | H37 | 107.2° | 109.5° |
| C18 | C19 | C20 | 120.6° | 120.1° |
| C18 | C19 | H61 | 119.7° | 119.9° |
| C16 | C15 | C14 | 111.0° | 109.5° |
| C16 | C15 | H58 | 109.1° | 109.5° |
| C16 | C15 | H57 | 109.1° | 109.5° |
| C15 | C16 | H37 | 107.2° | 109.5° |
| C13 | C14 | C15 | 111.3° | 109.5° |
| C14 | C13 | H54 | 108.8° | 109.5° |
| C14 | C13 | H53 | 108.9° | 109.5° |
| C13 | C14 | H55 | 109.0° | 109.5° |
| C13 | C14 | H56 | 109.0° | 109.5° |
| C20 | C19 | H61 | 119.7° | 119.9° |
| C19 | C20 | H62 | 120.0° | 120.0° |
| C15 | C14 | H55 | 109.0° | 109.5° |
| C15 | C14 | H56 | 109.0° | 109.4° |
| C14 | C15 | H58 | 109.1° | 109.5° |
| C14 | C15 | H57 | 109.1° | 109.5° |
| H40 | C1 | H38 | 109.5° | 109.5° |
| H40 | C1 | H39 | 109.5° | 109.5° |
| H38 | C1 | H39 | 109.4° | 109.5° |
| H42 | C2 | H41 | 109.5° | 109.4° |
| H43 | C3 | H44 | 109.5° | 109.5° |
| H47 | C6 | H48 | 109.5° | 110.8° |
| H49 | C7 | H50 | 109.5° | 110.9° |
| H51 | C8 | H52 | 109.5° | 110.4° |
| H54 | C13 | H53 | 109.5° | 109.5° |
| H55 | C14 | H56 | 109.5° | 109.5° |
| H58 | C15 | H57 | 109.5° | 109.5° |
| H46 | C4 | H45 | 109.4° | 109.5° |
| H59 | C17 | H60 | 109.5° | 109.5° |
| H68 | C33 | H67 | 109.5° | 115.6° |
| H70 | C34 | H69 | 109.4° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O29 | C28 | O30 | C27 | 179.9° | 179.9° |
| O29 | C28 | C27 | C26 | 29.9° | 174.5° |
| O29 | C28 | C27 | C31 | 150.1° | 5.5° |
| O29 | C28 | O30 | H1 | 0.0° | 0.1° |
| O30 | C28 | C27 | C26 | 150.0° | 5.4° |
| O30 | C28 | C27 | C31 | 30.0° | 174.6° |
| C28 | C27 | C26 | C31 | 180.0° | 180.0° |
| C28 | C27 | C26 | N25 | 180.0° | 180.0° |
| C28 | C27 | C31 | C32 | 0.0° | 0.1° |
| C28 | C27 | C31 | N24 | 180.0° | 180.0° |
| C28 | C27 | C26 | H65 | 0.0° | 0.3° |
| C27 | C28 | O30 | H1 | 179.9° | 180.0° |
| C27 | C26 | N25 | H65 | 180.0° | 179.7° |
| C26 | C27 | C31 | C32 | 180.0° | 179.9° |
| C26 | C27 | C31 | N24 | 0.0° | 0.0° |
| C27 | C26 | N25 | N24 | 0.0° | 0.0° |
| C31 | C27 | C26 | N25 | 0.0° | 0.0° |
| C27 | C31 | C32 | C33 | 62.8° | 50.8° |
| C27 | C31 | C32 | N24 | 179.9° | 179.9° |
| C27 | C31 | C32 | C34 | 132.1° | 119.4° |
| C27 | C31 | N24 | N25 | 0.1° | 0.0° |
| C27 | C31 | N24 | C22 | 179.8° | 179.9° |
| C31 | C27 | C26 | H65 | 180.0° | 179.7° |
| C27 | C31 | C32 | H66 | 82.5° | 94.9° |
| C26 | N25 | N24 | C31 | 0.1° | 0.0° |
| C26 | N25 | N24 | C22 | 179.8° | 179.9° |
| C32 | C33 | C34 | H68 | 109.6° | 107.5° |
| C32 | C33 | C34 | H67 | 109.6° | 107.5° |
| C33 | C32 | C31 | C34 | 69.3° | 68.6° |
| C33 | C32 | C31 | H66 | 145.4° | 145.7° |
| C33 | C32 | C31 | N24 | 117.1° | 129.3° |
| C33 | C32 | C34 | H66 | 105.6° | 107.5° |
| C32 | C33 | H68 | H67 | 144.5° | 145.7° |
| C32 | C33 | C34 | H70 | 109.6° | 107.5° |
| C32 | C33 | C34 | H69 | 109.6° | 107.5° |
| C34 | C33 | H68 | H67 | 144.5° | 145.7° |
| C33 | C34 | H70 | H69 | 144.5° | 145.7° |
| C7 | C6 | C5 | H47 | 119.0° | 118.3° |
| C7 | C6 | C5 | H48 | 119.0° | 118.4° |
| C6 | C7 | C8 | H49 | 119.0° | 118.1° |
| C6 | C7 | C8 | H50 | 119.0° | 118.0° |
| C7 | C6 | C5 | C4 | 84.2° | 141.6° |
| C7 | C6 | C5 | N9 | 35.5° | 22.2° |
| C6 | C7 | C8 | N9 | 30.5° | 37.0° |
| C7 | C6 | C5 | H35 | 152.6° | 97.3° |
| C7 | C6 | H47 | H48 | 122.9° | 123.3° |
| C6 | C7 | H49 | H50 | 122.8° | 123.9° |
| C6 | C7 | C8 | H51 | 149.5° | 81.9° |
| C6 | C7 | C8 | H52 | 88.5° | 155.9° |
| C5 | C6 | C7 | C8 | 41.5° | 35.5° |
| C6 | C5 | C4 | N9 | 113.7° | 117.8° |
| C6 | C5 | C4 | H35 | 123.1° | 121.1° |
| C6 | C5 | N9 | H35 | 116.5° | 119.6° |
| C6 | C5 | C4 | C3 | 77.4° | 176.8° |
| C6 | C5 | N9 | C8 | 16.9° | 1.0° |
| C6 | C5 | N9 | C10 | 159.7° | 178.9° |
| C5 | C6 | H47 | H48 | 122.9° | 123.2° |
| C5 | C6 | C7 | H49 | 77.6° | 153.6° |
| C5 | C6 | C7 | H50 | 160.5° | 82.6° |
| C6 | C5 | C4 | H46 | 43.2° | 63.3° |
| C6 | C5 | C4 | H45 | 161.9° | 56.7° |
| C31 | C32 | C34 | H66 | 145.5° | 145.0° |
| C32 | C31 | N24 | N25 | 180.0° | 180.0° |
| C32 | C31 | N24 | C22 | 0.3° | 0.2° |
| C31 | C32 | C33 | H68 | 141.6° | 145.0° |
| C31 | C32 | C33 | H67 | 0.7° | 0.0° |
| C31 | C32 | C34 | H70 | 141.5° | 0.1° |
| C31 | C32 | C34 | H69 | 0.7° | 145.0° |
| N24 | C31 | C32 | C34 | 47.8° | 60.7° |
| C31 | N24 | N25 | C22 | 179.7° | 179.9° |
| C31 | N24 | C22 | C23 | 49.0° | 143.9° |
| C31 | N24 | C22 | C21 | 131.3° | 35.8° |
| N24 | C31 | C32 | H66 | 97.5° | 85.1° |
| C32 | C34 | H70 | H69 | 144.5° | 145.7° |
| C7 | C8 | N9 | C5 | 8.0° | 24.1° |
| C7 | C8 | N9 | H51 | 119.0° | 118.9° |
| C7 | C8 | N9 | H52 | 119.0° | 118.8° |
| C7 | C8 | N9 | C10 | 175.4° | 155.8° |
| C8 | C7 | C6 | H47 | 77.5° | 82.9° |
| C8 | C7 | C6 | H48 | 160.5° | 153.9° |
| C8 | C7 | H49 | H50 | 122.8° | 123.9° |
| C7 | C8 | H51 | H52 | 122.9° | 122.2° |
| N25 | N24 | C22 | C23 | 130.7° | 35.9° |
| N25 | N24 | C22 | C21 | 49.0° | 144.4° |
| N24 | N25 | C26 | H65 | 180.0° | 179.7° |
| N24 | C22 | C23 | C21 | 179.7° | 179.7° |
| N24 | C22 | C23 | C18 | 179.8° | 180.0° |
| N24 | C22 | C21 | C20 | 179.8° | 179.9° |
| N24 | C22 | C21 | H63 | 0.2° | 0.1° |
| N24 | C22 | C23 | H64 | 0.2° | 0.2° |
| C4 | C5 | N9 | H35 | 122.8° | 121.0° |
| C5 | C4 | C3 | C2 | 80.1° | 173.5° |
| C5 | C4 | C3 | H46 | 120.7° | 120.0° |
| C5 | C4 | C3 | H45 | 120.6° | 120.0° |
| C4 | C5 | N9 | C8 | 103.8° | 118.4° |
| C4 | C5 | N9 | C10 | 79.6° | 61.7° |
| C5 | C4 | C3 | H43 | 159.3° | 53.4° |
| C5 | C4 | C3 | H44 | 40.4° | 66.6° |
| C4 | C5 | C6 | H47 | 156.9° | 23.3° |
| C4 | C5 | C6 | H48 | 34.8° | 100.0° |
| C5 | C4 | H46 | H45 | 118.0° | 120.0° |
| N9 | C5 | C4 | C3 | 168.9° | 65.5° |
| C5 | N9 | C8 | C10 | 176.6° | 179.9° |
| C5 | N9 | C10 | C12 | 1.3° | 173.0° |
| C5 | N9 | C10 | O11 | 178.7° | 7.0° |
| N9 | C5 | C6 | H47 | 83.5° | 96.1° |
| N9 | C5 | C6 | H48 | 154.5° | 140.6° |
| C5 | N9 | C8 | H51 | 127.0° | 94.8° |
| C5 | N9 | C8 | H52 | 110.9° | 142.9° |
| N9 | C5 | C4 | H46 | 70.4° | 54.5° |
| N9 | C5 | C4 | H45 | 48.3° | 174.5° |
| C2 | C3 | C4 | H43 | 120.6° | 120.0° |
| C2 | C3 | C4 | H44 | 120.6° | 120.0° |
| C3 | C2 | C1 | H42 | 120.5° | 120.0° |
| C3 | C2 | C1 | H41 | 120.6° | 120.0° |
| C3 | C2 | C1 | H40 | 180.0° | 60.0° |
| C3 | C2 | C1 | H38 | 60.0° | 60.1° |
| C3 | C2 | C1 | H39 | 60.0° | 180.0° |
| C3 | C2 | H42 | H41 | 118.3° | 120.0° |
| C2 | C3 | H43 | H44 | 118.3° | 120.0° |
| C2 | C3 | C4 | H46 | 159.2° | 66.6° |
| C2 | C3 | C4 | H45 | 40.5° | 53.4° |
| C4 | C3 | C2 | C1 | 104.6° | 180.0° |
| C4 | C3 | C2 | H42 | 15.9° | 60.0° |
| C4 | C3 | C2 | H41 | 134.8° | 60.0° |
| C4 | C3 | H43 | H44 | 118.3° | 120.0° |
| C3 | C4 | C5 | H35 | 45.7° | 55.6° |
| C3 | C4 | H46 | H45 | 118.0° | 120.0° |
| C8 | N9 | C10 | C12 | 174.9° | 7.1° |
| C8 | N9 | C10 | O11 | 5.1° | 172.9° |
| C8 | N9 | C5 | H35 | 133.4° | 120.6° |
| N9 | C8 | C7 | H49 | 88.6° | 155.1° |
| N9 | C8 | C7 | H50 | 149.5° | 81.1° |
| N9 | C8 | H51 | H52 | 122.9° | 122.4° |
| C2 | C1 | H40 | H38 | 120.0° | 120.0° |
| C2 | C1 | H40 | H39 | 120.0° | 120.0° |
| C2 | C1 | H38 | H39 | 120.0° | 119.9° |
| C1 | C2 | H42 | H41 | 118.2° | 120.0° |
| C1 | C2 | C3 | H43 | 15.9° | 60.0° |
| C1 | C2 | C3 | H44 | 134.8° | 60.0° |
| N9 | C10 | C12 | O11 | 180.0° | 180.0° |
| N9 | C10 | C12 | C17 | 131.1° | 163.3° |
| N9 | C10 | C12 | C13 | 106.4° | 76.7° |
| C10 | N9 | C5 | H35 | 43.2° | 59.3° |
| C10 | N9 | C8 | H51 | 56.4° | 85.3° |
| C10 | N9 | C8 | H52 | 65.6° | 37.0° |
| N9 | C10 | C12 | H36 | 13.6° | 43.3° |
| C22 | C23 | C18 | H64 | 180.0° | 179.7° |
| C23 | C22 | C21 | C20 | 0.1° | 0.4° |
| C22 | C23 | C18 | C16 | 179.9° | 180.0° |
| C22 | C23 | C18 | C19 | 0.1° | 0.0° |
| C23 | C22 | C21 | H63 | 179.8° | 179.8° |
| C21 | C22 | C23 | C18 | 0.1° | 0.3° |
| C22 | C21 | C20 | H63 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 0.1° | 0.1° |
| C21 | C22 | C23 | H64 | 179.9° | 179.9° |
| C22 | C21 | C20 | H62 | 179.9° | 180.0° |
| C23 | C18 | C16 | C17 | 75.1° | 120.0° |
| C23 | C18 | C16 | C19 | 180.0° | 180.0° |
| C23 | C18 | C16 | C15 | 161.0° | 120.0° |
| C23 | C18 | C19 | C20 | 0.0° | 0.3° |
| C23 | C18 | C16 | H37 | 40.8° | 0.0° |
| C23 | C18 | C19 | H61 | 180.0° | 180.0° |
| C10 | C12 | C17 | C13 | 124.1° | 120.0° |
| C10 | C12 | C17 | H36 | 117.4° | 120.0° |
| C10 | C12 | C13 | H36 | 120.0° | 120.0° |
| C10 | C12 | C17 | C16 | 178.6° | 180.0° |
| C10 | C12 | C13 | C14 | 174.8° | 180.0° |
| C10 | C12 | C13 | H54 | 64.9° | 60.0° |
| C10 | C12 | C13 | H53 | 54.4° | 60.0° |
| C10 | C12 | C17 | H59 | 61.1° | 60.0° |
| C10 | C12 | C17 | H60 | 58.3° | 60.0° |
| O11 | C10 | C12 | C17 | 49.0° | 16.7° |
| O11 | C10 | C12 | C13 | 73.5° | 103.3° |
| O11 | C10 | C12 | H36 | 166.4° | 136.7° |
| C17 | C12 | C13 | H36 | 118.5° | 120.0° |
| C12 | C17 | C16 | H59 | 120.3° | 120.0° |
| C12 | C17 | C16 | H60 | 120.3° | 120.0° |
| C12 | C17 | C16 | C18 | 171.6° | 180.0° |
| C12 | C17 | C16 | C15 | 60.0° | 60.0° |
| C17 | C12 | C13 | C14 | 53.3° | 60.0° |
| C17 | C12 | C13 | H54 | 173.7° | 180.0° |
| C17 | C12 | C13 | H53 | 67.1° | 60.0° |
| C12 | C17 | C16 | H37 | 55.6° | 60.0° |
| C12 | C17 | H59 | H60 | 119.1° | 120.0° |
| C13 | C12 | C17 | C16 | 57.3° | 60.0° |
| C12 | C13 | C14 | H54 | 120.4° | 120.0° |
| C12 | C13 | C14 | H53 | 120.4° | 120.0° |
| C12 | C13 | C14 | C15 | 53.2° | 60.0° |
| C12 | C13 | H54 | H53 | 118.9° | 120.0° |
| C12 | C13 | C14 | H55 | 67.1° | 60.0° |
| C12 | C13 | C14 | H56 | 173.5° | 180.0° |
| C13 | C12 | C17 | H59 | 63.0° | 60.0° |
| C13 | C12 | C17 | H60 | 177.6° | 180.0° |
| C21 | C20 | C19 | C18 | 0.0° | 0.3° |
| C21 | C20 | C19 | H62 | 180.0° | 180.0° |
| C21 | C20 | C19 | H61 | 180.0° | 180.0° |
| C17 | C16 | C18 | C15 | 123.9° | 120.0° |
| C17 | C16 | C18 | H37 | 115.9° | 120.0° |
| C17 | C16 | C18 | C19 | 104.9° | 60.0° |
| C17 | C16 | C15 | H37 | 115.5° | 120.0° |
| C17 | C16 | C15 | C14 | 59.0° | 60.0° |
| C16 | C17 | C12 | H36 | 61.2° | 60.0° |
| C17 | C16 | C15 | H58 | 61.2° | 180.0° |
| C17 | C16 | C15 | H57 | 179.2° | 60.0° |
| C16 | C17 | H59 | H60 | 119.1° | 120.0° |
| C18 | C16 | C15 | H37 | 120.2° | 120.0° |
| C16 | C18 | C19 | C20 | 179.9° | 179.7° |
| C18 | C16 | C15 | C14 | 176.7° | 180.0° |
| C18 | C16 | C15 | H58 | 63.1° | 60.0° |
| C18 | C16 | C15 | H57 | 56.5° | 60.0° |
| C16 | C18 | C19 | H61 | 0.0° | 0.0° |
| C16 | C18 | C23 | H64 | 0.1° | 0.3° |
| C18 | C16 | C17 | H59 | 68.1° | 60.0° |
| C18 | C16 | C17 | H60 | 51.4° | 60.0° |
| C19 | C18 | C16 | C15 | 19.0° | 60.0° |
| C18 | C19 | C20 | H61 | 180.0° | 179.7° |
| C19 | C18 | C16 | H37 | 139.2° | 180.0° |
| C19 | C18 | C23 | H64 | 179.9° | 179.7° |
| C18 | C19 | C20 | H62 | 180.0° | 179.7° |
| C16 | C15 | C14 | C13 | 56.2° | 60.0° |
| C16 | C15 | C14 | H58 | 120.2° | 120.0° |
| C16 | C15 | C14 | H57 | 120.2° | 120.0° |
| C16 | C15 | C14 | H55 | 64.0° | 60.0° |
| C16 | C15 | C14 | H56 | 176.5° | 180.0° |
| C16 | C15 | H58 | H57 | 119.3° | 120.0° |
| C15 | C16 | C17 | H59 | 60.4° | 60.0° |
| C15 | C16 | C17 | H60 | 179.8° | 180.0° |
| C13 | C14 | C15 | H55 | 120.3° | 120.0° |
| C13 | C14 | C15 | H56 | 120.3° | 120.0° |
| C14 | C13 | C12 | H36 | 65.2° | 60.0° |
| C14 | C13 | H54 | H53 | 118.9° | 120.0° |
| C13 | C14 | H55 | H56 | 119.2° | 120.0° |
| C13 | C14 | C15 | H58 | 64.0° | 180.0° |
| C13 | C14 | C15 | H57 | 176.5° | 60.0° |
| C19 | C20 | C21 | H63 | 179.9° | 179.9° |
| C15 | C14 | C13 | H54 | 173.6° | 180.0° |
| C15 | C14 | C13 | H53 | 67.2° | 60.0° |
| C15 | C14 | H55 | H56 | 119.1° | 120.0° |
| C14 | C15 | H58 | H57 | 119.3° | 120.0° |
| C14 | C15 | C16 | H37 | 56.5° | 60.0° |
| H40 | C1 | H38 | H39 | 120.0° | 120.1° |
| H40 | C1 | C2 | H42 | 59.5° | 60.0° |
| H40 | C1 | C2 | H41 | 59.4° | 180.0° |
| H38 | C1 | C2 | H42 | 179.5° | 179.9° |
| H38 | C1 | C2 | H41 | 60.6° | 59.9° |
| H39 | C1 | C2 | H42 | 60.5° | 60.0° |
| H39 | C1 | C2 | H41 | 179.4° | 60.0° |
| H42 | C2 | C3 | H43 | 136.5° | 180.0° |
| H42 | C2 | C3 | H44 | 104.7° | 60.0° |
| H41 | C2 | C3 | H43 | 104.6° | 60.0° |
| H41 | C2 | C3 | H44 | 14.2° | 179.9° |
| H43 | C3 | C4 | H46 | 38.7° | 173.4° |
| H43 | C3 | C4 | H45 | 80.0° | 66.6° |
| H44 | C3 | C4 | H46 | 80.2° | 53.4° |
| H44 | C3 | C4 | H45 | 161.1° | 173.4° |
| H35 | C5 | C6 | H47 | 33.6° | 144.3° |
| H35 | C5 | C6 | H48 | 88.4° | 21.1° |
| H35 | C5 | C4 | H46 | 166.4° | 175.6° |
| H35 | C5 | C4 | H45 | 74.9° | 64.4° |
| H47 | C6 | C7 | H49 | 163.4° | 35.2° |
| H47 | C6 | C7 | H50 | 41.6° | 159.1° |
| H48 | C6 | C7 | H49 | 41.4° | 88.0° |
| H48 | C6 | C7 | H50 | 80.5° | 35.8° |
| H49 | C7 | C8 | H51 | 30.4° | 36.2° |
| H49 | C7 | C8 | H52 | 152.4° | 86.0° |
| H50 | C7 | C8 | H51 | 91.5° | 160.1° |
| H50 | C7 | C8 | H52 | 30.5° | 37.9° |
| H36 | C12 | C13 | H54 | 55.2° | 60.0° |
| H36 | C12 | C13 | H53 | 174.4° | NaN° |
| H36 | C12 | C17 | H59 | 178.5° | 180.0° |
| H36 | C12 | C17 | H60 | 59.1° | 60.0° |
| H54 | C13 | C14 | H55 | 53.3° | 60.0° |
| H54 | C13 | C14 | H56 | 66.1° | 60.0° |
| H53 | C13 | C14 | H55 | 172.6° | 180.0° |
| H53 | C13 | C14 | H56 | 53.1° | 60.0° |
| H55 | C14 | C15 | H58 | 175.8° | 60.0° |
| H55 | C14 | C15 | H57 | 56.2° | 180.0° |
| H56 | C14 | C15 | H58 | 56.3° | 60.0° |
| H56 | C14 | C15 | H57 | 63.3° | 60.0° |
| H58 | C15 | C16 | H37 | 176.8° | 60.0° |
| H57 | C15 | C16 | H37 | 63.7° | NaN° |
| H37 | C16 | C17 | H59 | 176.0° | 180.0° |
| H37 | C16 | C17 | H60 | 64.6° | 60.0° |
| H61 | C19 | C20 | H62 | 0.0° | 0.0° |
| H63 | C21 | C20 | H62 | 0.1° | 0.1° |
| H66 | C32 | C33 | H68 | 4.0° | 0.0° |
| H66 | C32 | C33 | H67 | 144.9° | 145.0° |
| H66 | C32 | C34 | H70 | 4.0° | 145.0° |
| H66 | C32 | C34 | H69 | 144.9° | 0.0° |
| H68 | C33 | C34 | H70 | 0.0° | 145.0° |
| H68 | C33 | C34 | H69 | 140.9° | 0.0° |
| H67 | C33 | C34 | H70 | 140.8° | 0.0° |
| H67 | C33 | C34 | H69 | 0.0° | 145.0° |
