OFU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C6 | sing | 1.55Å | 1.49Å | |
| C5 | C4 | sing | 1.55Å | 1.50Å | |
| C6 | N2 | sing | 1.49Å | 1.50Å | |
| C4 | C3 | sing | 1.54Å | 1.53Å | |
| N30 | C22 | sing | 1.38Å | 1.35Å | |
| N2 | C3 | sing | 1.48Å | 1.52Å | |
| N2 | C1 | sing | 1.47Å | 1.49Å | |
| S23 | C22 | sing | 1.70Å | 1.73Å | Aromatic |
| S23 | C19 | sing | 1.76Å | 1.74Å | Aromatic |
| C22 | C21 | doub | 1.37Å | 1.39Å | Aromatic |
| C3 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | C33 | sing | 1.53Å | 1.51Å | |
| C7 | O8 | sing | 1.43Å | 1.46Å | |
| C21 | C31 | sing | 1.43Å | 1.43Å | |
| C21 | C20 | sing | 1.45Å | 1.44Å | Aromatic |
| N27 | O26 | sing | 1.21Å | 1.45Å | Aromatic |
| N27 | C28 | doub | 1.31Å | 1.31Å | Aromatic |
| C19 | C15 | sing | 1.52Å | 1.50Å | |
| C19 | C20 | doub | 1.34Å | 1.35Å | Aromatic |
| O26 | C25 | sing | 1.34Å | 1.39Å | Aromatic |
| C31 | N32 | trip | 1.14Å | 1.15Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C20 | C18 | sing | 1.52Å | 1.52Å | |
| O8 | C13 | sing | 1.35Å | 1.36Å | |
| N12 | C13 | doub | 1.33Å | 1.33Å | Aromatic |
| N12 | C11 | sing | 1.33Å | 1.34Å | Aromatic |
| C28 | C11 | sing | 1.49Å | 1.47Å | |
| C28 | N29 | sing | 1.35Å | 1.37Å | Aromatic |
| C25 | C18 | sing | 1.51Å | 1.51Å | |
| C25 | N29 | doub | 1.31Å | 1.28Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | N10 | doub | 1.32Å | 1.35Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.55Å | |
| C18 | C24 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C14 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| N10 | C9 | sing | 1.32Å | 1.34Å | Aromatic |
| C4 | H40 | sing | 1.09Å | 1.10Å | |
| C4 | H39 | sing | 1.09Å | 1.10Å | |
| C5 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | H41 | sing | 1.09Å | 1.10Å | |
| C6 | H44 | sing | 1.09Å | 1.10Å | |
| C6 | H43 | sing | 1.09Å | 1.10Å | |
| C7 | H45 | sing | 1.09Å | 1.10Å | |
| C15 | H49 | sing | 1.09Å | 1.10Å | |
| C15 | H48 | sing | 1.09Å | 1.10Å | |
| C17 | H53 | sing | 1.09Å | 1.10Å | |
| C17 | H52 | sing | 1.09Å | 1.10Å | |
| C24 | H54 | sing | 1.09Å | 1.10Å | |
| C24 | H55 | sing | 1.09Å | 1.10Å | |
| C24 | H56 | sing | 1.09Å | 1.10Å | |
| C1 | H34 | sing | 1.09Å | 1.10Å | |
| C1 | H35 | sing | 1.09Å | 1.10Å | |
| C1 | H36 | sing | 1.09Å | 1.10Å | |
| C14 | H47 | sing | 1.08Å | 1.08Å | |
| C16 | H50 | sing | 1.09Å | 1.10Å | |
| C16 | H51 | sing | 1.09Å | 1.10Å | |
| C3 | H38 | sing | 1.09Å | 1.10Å | |
| C33 | H61 | sing | 1.09Å | 1.10Å | |
| C33 | H59 | sing | 1.09Å | 1.10Å | |
| C33 | H60 | sing | 1.09Å | 1.10Å | |
| C9 | H46 | sing | 1.08Å | 1.08Å | |
| N30 | H58 | sing | 0.97Å | 1.00Å | |
| N30 | H57 | sing | 0.97Å | 1.00Å | |
| N2 | H37 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | C4 | 102.8° | 102.9° |
| C5 | C6 | N2 | 104.4° | 103.2° |
| C6 | C5 | H42 | 111.1° | 110.7° |
| C6 | C5 | H41 | 111.1° | 110.7° |
| C5 | C6 | H44 | 110.7° | 110.7° |
| C5 | C6 | H43 | 110.7° | 110.6° |
| C5 | C4 | C3 | 104.5° | 105.1° |
| C5 | C4 | H40 | 110.7° | 110.2° |
| C5 | C4 | H39 | 110.7° | 110.4° |
| C4 | C5 | H42 | 111.1° | 110.7° |
| C4 | C5 | H41 | 111.1° | 110.8° |
| C6 | N2 | C3 | 107.7° | 105.8° |
| C6 | N2 | C1 | 113.2° | 110.2° |
| N2 | C6 | H44 | 110.7° | 110.6° |
| N2 | C6 | H43 | 110.7° | 110.7° |
| C6 | N2 | H37 | 107.1° | 110.2° |
| C4 | C3 | N2 | 103.6° | 107.1° |
| C4 | C3 | C7 | 111.7° | 109.9° |
| C3 | C4 | H40 | 110.7° | 110.3° |
| C3 | C4 | H39 | 110.7° | 110.4° |
| C4 | C3 | H38 | 109.5° | 109.9° |
| N30 | C22 | S23 | 120.8° | 124.7° |
| N30 | C22 | C21 | 128.4° | 124.6° |
| C22 | N30 | H58 | 109.5° | 120.0° |
| C22 | N30 | H57 | 109.5° | 120.0° |
| C3 | N2 | C1 | 114.4° | 110.2° |
| N2 | C3 | C7 | 112.8° | 109.9° |
| N2 | C3 | H38 | 109.7° | 110.1° |
| C3 | N2 | H37 | 106.8° | 110.2° |
| N2 | C1 | H34 | 109.5° | 109.5° |
| N2 | C1 | H35 | 109.5° | 109.5° |
| N2 | C1 | H36 | 109.5° | 109.5° |
| C1 | N2 | H37 | 107.2° | 110.3° |
| C22 | S23 | C19 | 91.8° | 92.8° |
| S23 | C22 | C21 | 110.8° | 110.7° |
| S23 | C19 | C15 | 121.9° | 124.9° |
| S23 | C19 | C20 | 112.5° | 110.8° |
| C22 | C21 | C31 | 121.0° | 123.4° |
| C22 | C21 | C20 | 112.9° | 113.3° |
| C3 | C7 | C33 | 113.2° | 109.5° |
| C3 | C7 | O8 | 105.4° | 109.5° |
| C3 | C7 | H45 | 109.4° | 109.5° |
| C7 | C3 | H38 | 109.5° | 109.9° |
| C33 | C7 | O8 | 108.7° | 109.5° |
| C33 | C7 | H45 | 109.7° | 109.5° |
| C7 | C33 | H61 | 109.5° | 109.5° |
| C7 | C33 | H59 | 109.5° | 109.5° |
| C7 | C33 | H60 | 109.5° | 109.5° |
| C7 | O8 | C13 | 118.1° | 117.0° |
| O8 | C7 | H45 | 110.4° | 109.5° |
| C31 | C21 | C20 | 126.1° | 123.3° |
| C21 | C31 | N32 | 177.4° | 180.0° |
| C21 | C20 | C19 | 112.0° | 112.4° |
| C21 | C20 | C18 | 126.1° | 124.0° |
| O26 | N27 | C28 | 103.2° | 110.1° |
| N27 | O26 | C25 | 105.8° | 110.1° |
| N27 | C28 | C11 | 128.7° | 126.4° |
| N27 | C28 | N29 | 113.9° | 107.2° |
| C15 | C19 | C20 | 125.6° | 124.3° |
| C19 | C15 | C16 | 109.2° | 108.7° |
| C19 | C15 | H49 | 109.5° | 109.6° |
| C19 | C15 | H48 | 109.5° | 109.7° |
| C19 | C20 | C18 | 121.9° | 123.5° |
| O26 | C25 | C18 | 122.4° | 126.5° |
| O26 | C25 | N29 | 110.8° | 107.1° |
| C15 | C16 | C17 | 110.1° | 109.0° |
| C16 | C15 | H49 | 109.5° | 109.6° |
| C16 | C15 | H48 | 109.5° | 109.6° |
| C15 | C16 | H50 | 109.3° | 109.5° |
| C15 | C16 | H51 | 109.3° | 109.5° |
| C20 | C18 | C25 | 108.4° | 109.6° |
| C20 | C18 | C17 | 111.3° | 108.7° |
| C20 | C18 | C24 | 110.4° | 109.6° |
| O8 | C13 | N12 | 119.7° | 120.5° |
| O8 | C13 | C14 | 116.2° | 120.5° |
| C13 | N12 | C11 | 116.3° | 120.6° |
| N12 | C13 | C14 | 124.1° | 119.0° |
| N12 | C11 | C28 | 117.8° | 119.2° |
| N12 | C11 | N10 | 125.3° | 121.6° |
| C11 | C28 | N29 | 116.9° | 126.4° |
| C28 | C11 | N10 | 116.9° | 119.2° |
| C28 | N29 | C25 | 106.2° | 105.6° |
| C18 | C25 | N29 | 126.7° | 126.4° |
| C25 | C18 | C17 | 107.7° | 109.6° |
| C25 | C18 | C24 | 108.0° | 109.7° |
| C13 | C14 | C9 | 114.2° | 118.5° |
| C13 | C14 | H47 | 122.9° | 120.7° |
| C11 | N10 | C9 | 115.8° | 120.9° |
| C17 | C18 | C24 | 111.0° | 109.5° |
| C18 | C17 | C16 | 112.6° | 109.2° |
| C18 | C17 | H53 | 108.7° | 109.5° |
| C18 | C17 | H52 | 108.7° | 109.5° |
| C18 | C24 | H54 | 109.5° | 109.5° |
| C18 | C24 | H55 | 109.5° | 109.5° |
| C18 | C24 | H56 | 109.5° | 109.5° |
| C16 | C17 | H53 | 108.7° | 109.5° |
| C16 | C17 | H52 | 108.7° | 109.6° |
| C17 | C16 | H50 | 109.3° | 109.5° |
| C17 | C16 | H51 | 109.3° | 109.6° |
| C14 | C9 | N10 | 124.3° | 119.2° |
| C9 | C14 | H47 | 122.9° | 120.7° |
| C14 | C9 | H46 | 117.9° | 120.4° |
| N10 | C9 | H46 | 117.9° | 120.4° |
| H40 | C4 | H39 | 109.5° | 110.3° |
| H42 | C5 | H41 | 109.5° | 110.8° |
| H44 | C6 | H43 | 109.5° | 110.8° |
| H49 | C15 | H48 | 109.5° | 109.6° |
| H53 | C17 | H52 | 109.5° | 109.5° |
| H54 | C24 | H55 | 109.5° | 109.5° |
| H54 | C24 | H56 | 109.5° | 109.4° |
| H55 | C24 | H56 | 109.5° | 109.4° |
| H34 | C1 | H35 | 109.5° | 109.5° |
| H34 | C1 | H36 | 109.4° | 109.5° |
| H35 | C1 | H36 | 109.4° | 109.5° |
| H50 | C16 | H51 | 109.5° | 109.6° |
| H61 | C33 | H59 | 109.5° | 109.5° |
| H61 | C33 | H60 | 109.4° | 109.5° |
| H59 | C33 | H60 | 109.5° | 109.4° |
| H58 | N30 | H57 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | C4 | H42 | 118.9° | 118.3° |
| C6 | C5 | C4 | H41 | 118.9° | 118.4° |
| C5 | C6 | N2 | H44 | 119.2° | 118.5° |
| C5 | C6 | N2 | H43 | 119.2° | 118.4° |
| C6 | C5 | C4 | C3 | 40.7° | 21.9° |
| C5 | C6 | N2 | C3 | 22.5° | 39.2° |
| C5 | C6 | N2 | C1 | 150.0° | 158.2° |
| C6 | C5 | C4 | H40 | 78.6° | 97.0° |
| C6 | C5 | C4 | H39 | 159.9° | 140.9° |
| C6 | C5 | H42 | H41 | 123.1° | 123.2° |
| C5 | C6 | H44 | H43 | 122.4° | 123.1° |
| C5 | C6 | N2 | H37 | 92.1° | 79.9° |
| C4 | C5 | C6 | N2 | 38.8° | 37.4° |
| C5 | C4 | C3 | H40 | 119.2° | 118.8° |
| C5 | C4 | C3 | H39 | 119.2° | 119.0° |
| C5 | C4 | C3 | N2 | 26.4° | 1.3° |
| C5 | C4 | C3 | C7 | 95.2° | 120.6° |
| C5 | C4 | H40 | H39 | 122.3° | 122.1° |
| C4 | C5 | H42 | H41 | 123.1° | 123.3° |
| C4 | C5 | C6 | H44 | 158.0° | 155.8° |
| C4 | C5 | C6 | H43 | 80.4° | 81.0° |
| C5 | C4 | C3 | H38 | 143.3° | 118.4° |
| C6 | N2 | C3 | C4 | 2.4° | 25.4° |
| C6 | N2 | C3 | C1 | 126.8° | 119.0° |
| C6 | N2 | C3 | H37 | 114.7° | 119.1° |
| C6 | N2 | C1 | H37 | 117.8° | 121.8° |
| C6 | N2 | C3 | C7 | 118.5° | 144.7° |
| N2 | C6 | C5 | H42 | 157.7° | 80.9° |
| N2 | C6 | C5 | H41 | 80.1° | 155.8° |
| N2 | C6 | H44 | H43 | 122.4° | 123.1° |
| C6 | N2 | C1 | H34 | 180.0° | 58.6° |
| C6 | N2 | C1 | H35 | 60.0° | 178.6° |
| C6 | N2 | C1 | H36 | 60.0° | 61.4° |
| C6 | N2 | C3 | H38 | 119.2° | 94.1° |
| C4 | C3 | N2 | C7 | 120.9° | 119.3° |
| C4 | C3 | N2 | H38 | 116.8° | 119.5° |
| C4 | C3 | N2 | C1 | 124.4° | 144.4° |
| C4 | C3 | C7 | H38 | 121.5° | 121.1° |
| C4 | C3 | C7 | C33 | 71.1° | 178.6° |
| C4 | C3 | C7 | O8 | 170.3° | 58.6° |
| C3 | C4 | H40 | H39 | 122.3° | 122.2° |
| C3 | C4 | C5 | H42 | 159.6° | 96.4° |
| C3 | C4 | C5 | H41 | 78.3° | 140.3° |
| C4 | C3 | C7 | H45 | 51.5° | 61.5° |
| C4 | C3 | N2 | H37 | 117.1° | 93.7° |
| N30 | C22 | S23 | C21 | 178.3° | 180.0° |
| N30 | C22 | S23 | C19 | 179.0° | 180.0° |
| N30 | C22 | C21 | C31 | 0.1° | 0.0° |
| N30 | C22 | C21 | C20 | 178.4° | 180.0° |
| C22 | N30 | H58 | H57 | 120.0° | 179.9° |
| C3 | N2 | C1 | H37 | 118.3° | 121.9° |
| N2 | C3 | C7 | H38 | 122.4° | 121.3° |
| N2 | C3 | C7 | C33 | 172.8° | 61.0° |
| N2 | C3 | C7 | O8 | 54.2° | 59.0° |
| N2 | C3 | C4 | H40 | 92.8° | 120.1° |
| N2 | C3 | C4 | H39 | 145.6° | 117.7° |
| C3 | N2 | C6 | H44 | 141.7° | 157.7° |
| C3 | N2 | C6 | H43 | 96.7° | 79.2° |
| N2 | C3 | C7 | H45 | 64.6° | 179.1° |
| C3 | N2 | C1 | H34 | 56.1° | 57.8° |
| C3 | N2 | C1 | H35 | 176.1° | 62.2° |
| C3 | N2 | C1 | H36 | 63.9° | 177.8° |
| C1 | N2 | C3 | C7 | 114.8° | 96.3° |
| C1 | N2 | C6 | H44 | 90.8° | 83.3° |
| C1 | N2 | C6 | H43 | 30.8° | 39.9° |
| N2 | C1 | H34 | H35 | 120.0° | 120.0° |
| N2 | C1 | H34 | H36 | 120.0° | 120.1° |
| N2 | C1 | H35 | H36 | 120.0° | 120.0° |
| C1 | N2 | C3 | H38 | 7.6° | 24.9° |
| S23 | C22 | C21 | C31 | 178.3° | 180.0° |
| S23 | C22 | C21 | C20 | 0.2° | 0.0° |
| C22 | S23 | C19 | C15 | 177.9° | 180.0° |
| C22 | S23 | C19 | C20 | 1.0° | 0.0° |
| S23 | C22 | N30 | H58 | 0.0° | 179.9° |
| S23 | C22 | N30 | H57 | 120.0° | 0.0° |
| C19 | S23 | C22 | C21 | 0.6° | 0.0° |
| S23 | C19 | C20 | C21 | 1.0° | 0.0° |
| S23 | C19 | C15 | C20 | 178.8° | 179.9° |
| S23 | C19 | C15 | C16 | 157.3° | 163.3° |
| S23 | C19 | C20 | C18 | 179.6° | 180.0° |
| S23 | C19 | C15 | H49 | 82.7° | 43.5° |
| S23 | C19 | C15 | H48 | 37.4° | 76.9° |
| C22 | C21 | C31 | C20 | 178.3° | 180.0° |
| C22 | C21 | C20 | C19 | 0.5° | 0.0° |
| C22 | C21 | C31 | N32 | 1.9° | 45.3° |
| C22 | C21 | C20 | C18 | 179.0° | 180.0° |
| C21 | C22 | N30 | H58 | 178.0° | 0.0° |
| C21 | C22 | N30 | H57 | 58.0° | 179.9° |
| C3 | C7 | C33 | O8 | 116.7° | 120.0° |
| C3 | C7 | C33 | H45 | 122.5° | 120.0° |
| C3 | C7 | O8 | H45 | 118.1° | 120.0° |
| C3 | C7 | O8 | C13 | 155.6° | 150.0° |
| C7 | C3 | C4 | H40 | 145.6° | 120.5° |
| C7 | C3 | C4 | H39 | 24.0° | 1.6° |
| C3 | C7 | C33 | H61 | 180.0° | 180.0° |
| C3 | C7 | C33 | H59 | 60.0° | 60.0° |
| C3 | C7 | C33 | H60 | 60.0° | 60.0° |
| C7 | C3 | N2 | H37 | 3.7° | 25.6° |
| C33 | C7 | O8 | H45 | 120.3° | 120.0° |
| C33 | C7 | O8 | C13 | 82.8° | 90.0° |
| C33 | C7 | C3 | H38 | 50.4° | 60.4° |
| C7 | C33 | H61 | H59 | 120.0° | 120.0° |
| C7 | C33 | H61 | H60 | 120.0° | 120.0° |
| C7 | C33 | H59 | H60 | 120.0° | 120.0° |
| C7 | O8 | C13 | N12 | 5.5° | 0.0° |
| C7 | O8 | C13 | C14 | 175.7° | 180.0° |
| O8 | C7 | C3 | H38 | 68.2° | 179.6° |
| O8 | C7 | C33 | H61 | 63.3° | 60.0° |
| O8 | C7 | C33 | H59 | 56.7° | 60.0° |
| O8 | C7 | C33 | H60 | 176.7° | 180.0° |
| C31 | C21 | C20 | C19 | 179.0° | 180.0° |
| C31 | C21 | C20 | C18 | 2.5° | 0.1° |
| C21 | C20 | C19 | C15 | 177.8° | 180.0° |
| C21 | C20 | C19 | C18 | 178.6° | 180.0° |
| C20 | C21 | C31 | N32 | 176.4° | 134.7° |
| C21 | C20 | C18 | C25 | 55.7° | 43.2° |
| C21 | C20 | C18 | C17 | 173.8° | 163.0° |
| C21 | C20 | C18 | C24 | 62.4° | 77.3° |
| O26 | N27 | C28 | C11 | 174.0° | 180.0° |
| O26 | N27 | C28 | N29 | 1.9° | 0.2° |
| N27 | O26 | C25 | C18 | 178.1° | 179.9° |
| N27 | O26 | C25 | N29 | 0.4° | 0.1° |
| C28 | N27 | O26 | C25 | 0.9° | 0.1° |
| N27 | C28 | C11 | N12 | 2.6° | 0.3° |
| N27 | C28 | C11 | N29 | 171.9° | 179.7° |
| N27 | C28 | N29 | C25 | 2.2° | 0.3° |
| N27 | C28 | C11 | N10 | 176.4° | 179.7° |
| C19 | C15 | C16 | H49 | 119.9° | 119.8° |
| C19 | C15 | C16 | H48 | 120.0° | 119.9° |
| C15 | C19 | C20 | C18 | 0.7° | 0.0° |
| C19 | C15 | C16 | C17 | 51.3° | 50.1° |
| C19 | C15 | H49 | H48 | 120.1° | 120.5° |
| C19 | C15 | C16 | H50 | 171.4° | 169.9° |
| C19 | C15 | C16 | H51 | 68.8° | 69.9° |
| C20 | C19 | C15 | C16 | 21.4° | 16.7° |
| C19 | C20 | C18 | C25 | 126.0° | 136.9° |
| C19 | C20 | C18 | C17 | 7.8° | 17.1° |
| C19 | C20 | C18 | C24 | 115.9° | 102.7° |
| C20 | C19 | C15 | H49 | 98.6° | 136.4° |
| C20 | C19 | C15 | H48 | 141.4° | 103.2° |
| O26 | C25 | C18 | C20 | 63.3° | 119.7° |
| O26 | C25 | N29 | C28 | 1.5° | 0.2° |
| O26 | C25 | C18 | N29 | 177.4° | 179.7° |
| O26 | C25 | C18 | C17 | 57.1° | 0.5° |
| O26 | C25 | C18 | C24 | 177.1° | 119.9° |
| C15 | C16 | C17 | C18 | 63.0° | 70.4° |
| C15 | C16 | C17 | H50 | 120.1° | 119.8° |
| C15 | C16 | C17 | H51 | 120.1° | 119.9° |
| C16 | C15 | H49 | H48 | 120.1° | 120.3° |
| C15 | C16 | C17 | H53 | 176.5° | 49.5° |
| C15 | C16 | C17 | H52 | 57.5° | 169.7° |
| C15 | C16 | H50 | H51 | 119.7° | 120.2° |
| C20 | C18 | C25 | C17 | 120.4° | 119.3° |
| C20 | C18 | C25 | C24 | 119.6° | 120.4° |
| C20 | C18 | C25 | N29 | 119.3° | 60.0° |
| C20 | C18 | C17 | C24 | 123.4° | 119.8° |
| C20 | C18 | C17 | C16 | 39.0° | 50.6° |
| C20 | C18 | C17 | H53 | 159.5° | 69.3° |
| C20 | C18 | C17 | H52 | 81.4° | 170.5° |
| C20 | C18 | C24 | H54 | 180.0° | 60.0° |
| C20 | C18 | C24 | H55 | 60.0° | 180.0° |
| C20 | C18 | C24 | H56 | 60.0° | 60.0° |
| O8 | C13 | N12 | C14 | 178.7° | 180.0° |
| O8 | C13 | N12 | C11 | 180.0° | 180.0° |
| O8 | C13 | C14 | C9 | 178.4° | 180.0° |
| C13 | O8 | C7 | H45 | 37.6° | 30.0° |
| O8 | C13 | C14 | H47 | 1.6° | 0.1° |
| C13 | N12 | C11 | C28 | 178.1° | 179.9° |
| C13 | N12 | C11 | N10 | 3.0° | 0.0° |
| N12 | C13 | C14 | C9 | 0.3° | 0.0° |
| N12 | C13 | C14 | H47 | 179.7° | 180.0° |
| N12 | C11 | C28 | N10 | 179.0° | 180.0° |
| N12 | C11 | C28 | N29 | 169.3° | 180.0° |
| C11 | N12 | C13 | C14 | 1.3° | 0.0° |
| N12 | C11 | N10 | C9 | 2.8° | 0.0° |
| C11 | C28 | N29 | C25 | 175.3° | 180.0° |
| C28 | C11 | N10 | C9 | 178.3° | 180.0° |
| C28 | N29 | C25 | C18 | 179.1° | 180.0° |
| N29 | C28 | C11 | N10 | 11.7° | 0.0° |
| C25 | C18 | C17 | C24 | 118.0° | 120.4° |
| C25 | C18 | C17 | C16 | 157.6° | 170.4° |
| C25 | C18 | C17 | H53 | 81.9° | 50.5° |
| C25 | C18 | C17 | H52 | 37.2° | 69.6° |
| C25 | C18 | C24 | H54 | 61.7° | 60.4° |
| C25 | C18 | C24 | H55 | 178.3° | 59.6° |
| C25 | C18 | C24 | H56 | 58.3° | 179.6° |
| N29 | C25 | C18 | C17 | 120.2° | 179.3° |
| N29 | C25 | C18 | C24 | 0.3° | 60.4° |
| C13 | C14 | C9 | H47 | 180.0° | 179.9° |
| C13 | C14 | C9 | N10 | 0.6° | 0.0° |
| C13 | C14 | C9 | H46 | 179.4° | 180.0° |
| C11 | N10 | C9 | C14 | 0.8° | 0.0° |
| C11 | N10 | C9 | H46 | 179.2° | 180.0° |
| C18 | C17 | C16 | H53 | 120.5° | 119.9° |
| C18 | C17 | C16 | H52 | 120.5° | 120.0° |
| C18 | C17 | H53 | H52 | 118.6° | 120.1° |
| C17 | C18 | C24 | H54 | 56.1° | 179.3° |
| C17 | C18 | C24 | H55 | 63.9° | 60.7° |
| C17 | C18 | C24 | H56 | 176.1° | 59.3° |
| C18 | C17 | C16 | H50 | 176.9° | 169.8° |
| C18 | C17 | C16 | H51 | 57.1° | 49.5° |
| C24 | C18 | C17 | C16 | 84.3° | 69.2° |
| C24 | C18 | C17 | H53 | 36.1° | 170.9° |
| C24 | C18 | C17 | H52 | 155.2° | 50.8° |
| C18 | C24 | H54 | H55 | 120.0° | 120.1° |
| C18 | C24 | H54 | H56 | 120.0° | 120.0° |
| C18 | C24 | H55 | H56 | 120.0° | 120.0° |
| C17 | C16 | C15 | H49 | 68.6° | 169.8° |
| C17 | C16 | C15 | H48 | 171.3° | 69.8° |
| C16 | C17 | H53 | H52 | 118.6° | 120.2° |
| C17 | C16 | H50 | H51 | 119.7° | 120.3° |
| C14 | C9 | N10 | H46 | 180.0° | 180.0° |
| N10 | C9 | C14 | H47 | 179.4° | 180.0° |
| H40 | C4 | C5 | H42 | 40.3° | 144.7° |
| H40 | C4 | C5 | H41 | 162.5° | 21.4° |
| H40 | C4 | C3 | H38 | 24.1° | 0.5° |
| H39 | C4 | C5 | H42 | 81.2° | 22.6° |
| H39 | C4 | C5 | H41 | 41.0° | 100.7° |
| H39 | C4 | C3 | H38 | 97.5° | 122.6° |
| H42 | C5 | C6 | H44 | 83.1° | 37.5° |
| H42 | C5 | C6 | H43 | 38.5° | 160.7° |
| H41 | C5 | C6 | H44 | 39.1° | 85.7° |
| H41 | C5 | C6 | H43 | 160.7° | 37.4° |
| H44 | C6 | N2 | H37 | 27.1° | 38.6° |
| H43 | C6 | N2 | H37 | 148.7° | 161.7° |
| H45 | C7 | C3 | H38 | 173.0° | 59.6° |
| H45 | C7 | C33 | H61 | 57.5° | 60.0° |
| H45 | C7 | C33 | H59 | 177.5° | 179.9° |
| H45 | C7 | C33 | H60 | 62.5° | 60.0° |
| H49 | C15 | C16 | H50 | 51.5° | 70.4° |
| H49 | C15 | C16 | H51 | 171.3° | 49.9° |
| H48 | C15 | C16 | H50 | 68.6° | 50.0° |
| H48 | C15 | C16 | H51 | 51.2° | 170.2° |
| H53 | C17 | C16 | H50 | 56.5° | 70.3° |
| H53 | C17 | C16 | H51 | 63.3° | 169.4° |
| H52 | C17 | C16 | H50 | 62.6° | 49.9° |
| H52 | C17 | C16 | H51 | 177.6° | 70.4° |
| H54 | C24 | H55 | H56 | 120.0° | 119.9° |
| H34 | C1 | H35 | H36 | 120.0° | 120.0° |
| H34 | C1 | N2 | H37 | 62.2° | 179.6° |
| H35 | C1 | N2 | H37 | 57.9° | 59.6° |
| H36 | C1 | N2 | H37 | 177.8° | 60.4° |
| H47 | C14 | C9 | H46 | 0.6° | 0.0° |
| H38 | C3 | N2 | H37 | 126.1° | 146.8° |
| H61 | C33 | H59 | H60 | 120.0° | 120.0° |
