XRN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C2 | sing | 1.40Å | 1.32Å | |
| C2 | O3 | sing | 1.43Å | 1.42Å | |
| C2 | F4 | sing | 1.40Å | 1.31Å | |
| C2 | F5 | sing | 1.40Å | 1.33Å | |
| O3 | C6 | sing | 1.36Å | 1.37Å | |
| C6 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C12 | sing | 1.51Å | 1.52Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | O13 | sing | 1.45Å | 1.41Å | |
| O13 | C14 | sing | 1.35Å | 1.39Å | |
| C14 | O15 | doub | 1.21Å | 1.22Å | |
| C14 | N16 | sing | 1.35Å | 1.37Å | |
| N16 | C17 | sing | 1.49Å | 1.48Å | |
| N16 | C18 | sing | 1.50Å | 1.51Å | |
| C17 | C20 | sing | 1.49Å | 1.50Å | |
| C18 | C19 | sing | 1.51Å | 1.54Å | |
| C19 | C20 | sing | 1.58Å | 1.55Å | |
| C19 | C23 | sing | 1.51Å | 1.52Å | |
| C20 | C21 | sing | 1.50Å | 1.52Å | |
| C21 | N22 | sing | 1.49Å | 1.48Å | |
| N22 | C23 | sing | 1.50Å | 1.51Å | |
| N22 | C26 | sing | 1.35Å | 1.37Å | |
| C26 | N27 | sing | 1.35Å | 1.40Å | |
| C26 | O28 | doub | 1.22Å | 1.23Å | |
| N27 | C29 | sing | 1.47Å | 1.46Å | |
| N27 | C33 | sing | 1.47Å | 1.48Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C30 | C31 | sing | 1.53Å | 1.55Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| C31 | S34 | sing | 1.81Å | 1.72Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| S34 | N35 | sing | 1.66Å | 1.63Å | |
| S34 | O36 | doub | 1.42Å | 1.43Å | |
| S34 | O37 | doub | 1.42Å | 1.43Å | |
| C10 | H40 | sing | 1.08Å | 1.08Å | |
| C11 | H41 | sing | 1.08Å | 1.08Å | |
| C17 | H44 | sing | 1.09Å | 1.10Å | |
| C17 | H45 | sing | 1.09Å | 1.10Å | |
| C18 | H47 | sing | 1.09Å | 1.10Å | |
| C18 | H46 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H48 | sing | 1.09Å | 1.10Å | |
| C21 | H49 | sing | 1.09Å | 1.10Å | |
| C23 | H51 | sing | 1.09Å | 1.10Å | |
| C23 | H50 | sing | 1.09Å | 1.10Å | |
| C7 | H38 | sing | 1.08Å | 1.08Å | |
| C8 | H39 | sing | 1.08Å | 1.08Å | |
| C12 | H43 | sing | 1.09Å | 1.10Å | |
| C12 | H42 | sing | 1.09Å | 1.10Å | |
| C29 | H52 | sing | 1.09Å | 1.10Å | |
| C29 | H53 | sing | 1.09Å | 1.10Å | |
| C30 | H55 | sing | 1.09Å | 1.10Å | |
| C30 | H54 | sing | 1.09Å | 1.10Å | |
| C31 | H56 | sing | 1.09Å | 1.10Å | |
| C32 | H57 | sing | 1.09Å | 1.10Å | |
| C32 | H58 | sing | 1.09Å | 1.10Å | |
| C33 | H59 | sing | 1.09Å | 1.10Å | |
| C33 | H60 | sing | 1.09Å | 1.10Å | |
| N35 | H62 | sing | 0.97Å | 1.00Å | |
| N35 | H61 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C2 | O3 | 115.3° | 109.4° |
| F1 | C2 | F4 | 105.5° | 109.4° |
| F1 | C2 | F5 | 109.1° | 109.5° |
| O3 | C2 | F4 | 108.2° | 109.5° |
| O3 | C2 | F5 | 112.7° | 109.5° |
| C2 | O3 | C6 | 125.6° | 117.0° |
| F4 | C2 | F5 | 105.2° | 109.5° |
| O3 | C6 | C7 | 113.3° | 120.0° |
| O3 | C6 | C11 | 124.5° | 120.1° |
| C7 | C6 | C11 | 122.2° | 119.9° |
| C6 | C7 | C8 | 118.5° | 119.9° |
| C6 | C7 | H38 | 120.7° | 120.0° |
| C6 | C11 | C10 | 118.3° | 119.9° |
| C6 | C11 | H41 | 120.9° | 120.0° |
| C7 | C8 | C9 | 119.1° | 120.1° |
| C8 | C7 | H38 | 120.7° | 120.0° |
| C7 | C8 | H39 | 120.4° | 119.9° |
| C8 | C9 | C10 | 120.1° | 120.1° |
| C8 | C9 | C12 | 123.4° | 120.0° |
| C9 | C8 | H39 | 120.4° | 120.0° |
| C10 | C9 | C12 | 116.5° | 119.9° |
| C9 | C10 | C11 | 121.7° | 120.1° |
| C9 | C10 | H40 | 119.1° | 120.0° |
| C9 | C12 | O13 | 109.5° | 109.5° |
| C9 | C12 | H43 | 109.5° | 109.5° |
| C9 | C12 | H42 | 109.4° | 109.4° |
| C11 | C10 | H40 | 119.2° | 120.0° |
| C10 | C11 | H41 | 120.8° | 120.1° |
| C12 | O13 | C14 | 116.8° | 117.0° |
| O13 | C12 | H43 | 109.5° | 109.5° |
| O13 | C12 | H42 | 109.4° | 109.5° |
| O13 | C14 | O15 | 123.6° | 120.0° |
| O13 | C14 | N16 | 111.8° | 120.0° |
| O15 | C14 | N16 | 124.6° | 120.0° |
| C14 | N16 | C17 | 113.2° | 126.1° |
| C14 | N16 | C18 | 126.6° | 126.1° |
| C17 | N16 | C18 | 112.0° | 107.8° |
| N16 | C17 | C20 | 98.7° | 104.6° |
| N16 | C17 | H44 | 112.1° | 110.5° |
| N16 | C17 | H45 | 112.1° | 110.5° |
| N16 | C18 | C19 | 100.7° | 102.4° |
| N16 | C18 | H47 | 111.6° | 110.8° |
| N16 | C18 | H46 | 111.6° | 111.0° |
| C17 | C20 | C19 | 101.0° | 100.7° |
| C17 | C20 | C21 | 123.1° | 129.2° |
| C20 | C17 | H44 | 112.1° | 110.4° |
| C20 | C17 | H45 | 112.1° | 110.4° |
| C17 | C20 | H24 | 110.1° | 108.6° |
| C18 | C19 | C20 | 102.2° | 97.7° |
| C18 | C19 | C23 | 127.8° | 124.2° |
| C19 | C18 | H47 | 111.7° | 110.8° |
| C19 | C18 | H46 | 111.6° | 110.8° |
| C18 | C19 | H25 | 108.6° | 111.2° |
| C20 | C19 | C23 | 98.8° | 97.8° |
| C19 | C20 | C21 | 102.2° | 100.6° |
| C20 | C19 | H25 | 108.5° | 111.8° |
| C19 | C20 | H24 | 109.4° | 107.5° |
| C19 | C23 | N22 | 98.3° | 102.4° |
| C23 | C19 | H25 | 108.8° | 111.7° |
| C19 | C23 | H51 | 112.2° | 110.8° |
| C19 | C23 | H50 | 112.2° | 110.8° |
| C20 | C21 | N22 | 100.4° | 104.6° |
| C21 | C20 | H24 | 109.7° | 107.9° |
| C20 | C21 | H48 | 111.7° | 110.4° |
| C20 | C21 | H49 | 111.7° | 110.4° |
| C21 | N22 | C23 | 112.5° | 107.7° |
| C21 | N22 | C26 | 127.4° | 126.2° |
| N22 | C21 | H48 | 111.7° | 110.4° |
| N22 | C21 | H49 | 111.7° | 110.4° |
| C23 | N22 | C26 | 120.1° | 126.1° |
| N22 | C23 | H51 | 112.2° | 110.8° |
| N22 | C23 | H50 | 112.2° | 111.0° |
| N22 | C26 | N27 | 120.7° | 119.9° |
| N22 | C26 | O28 | 119.3° | 120.1° |
| N27 | C26 | O28 | 120.0° | 120.0° |
| C26 | N27 | C29 | 123.6° | 120.6° |
| C26 | N27 | C33 | 115.0° | 120.7° |
| C29 | N27 | C33 | 111.6° | 118.7° |
| N27 | C29 | C30 | 109.4° | 108.8° |
| N27 | C29 | H52 | 109.5° | 109.6° |
| N27 | C29 | H53 | 109.5° | 109.6° |
| N27 | C33 | C32 | 109.2° | 109.1° |
| N27 | C33 | H59 | 109.5° | 109.6° |
| N27 | C33 | H60 | 109.5° | 109.6° |
| C29 | C30 | C31 | 110.3° | 109.3° |
| C30 | C29 | H52 | 109.5° | 109.6° |
| C30 | C29 | H53 | 109.5° | 109.6° |
| C29 | C30 | H55 | 109.3° | 109.5° |
| C29 | C30 | H54 | 109.3° | 109.5° |
| C30 | C31 | C32 | 110.5° | 109.5° |
| C30 | C31 | S34 | 109.8° | 109.5° |
| C31 | C30 | H55 | 109.3° | 109.5° |
| C31 | C30 | H54 | 109.3° | 109.5° |
| C30 | C31 | H56 | 108.5° | 109.5° |
| C32 | C31 | S34 | 112.7° | 109.5° |
| C31 | C32 | C33 | 109.6° | 109.4° |
| C32 | C31 | H56 | 108.6° | 109.4° |
| C31 | C32 | H57 | 109.5° | 109.5° |
| C31 | C32 | H58 | 109.5° | 109.5° |
| C31 | S34 | N35 | 101.8° | 104.4° |
| C31 | S34 | O36 | 109.1° | 110.6° |
| C31 | S34 | O37 | 106.4° | 110.5° |
| S34 | C31 | H56 | 106.6° | 109.5° |
| C33 | C32 | H57 | 109.5° | 109.6° |
| C33 | C32 | H58 | 109.4° | 109.3° |
| C32 | C33 | H59 | 109.5° | 109.5° |
| C32 | C33 | H60 | 109.5° | 109.4° |
| N35 | S34 | O36 | 108.6° | 104.3° |
| N35 | S34 | O37 | 108.3° | 104.2° |
| S34 | N35 | H62 | 109.5° | 120.0° |
| S34 | N35 | H61 | 109.5° | 120.0° |
| O36 | S34 | O37 | 120.8° | 121.0° |
| H44 | C17 | H45 | 109.4° | 110.4° |
| H47 | C18 | H46 | 109.4° | 110.7° |
| H48 | C21 | H49 | 109.4° | 110.5° |
| H51 | C23 | H50 | 109.5° | 110.7° |
| H43 | C12 | H42 | 109.5° | 109.5° |
| H52 | C29 | H53 | 109.5° | 109.7° |
| H55 | C30 | H54 | 109.4° | 109.6° |
| H57 | C32 | H58 | 109.4° | 109.5° |
| H59 | C33 | H60 | 109.5° | 109.7° |
| H62 | N35 | H61 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C2 | O3 | F4 | 117.9° | 119.9° |
| F1 | C2 | O3 | F5 | 126.2° | 120.0° |
| F1 | C2 | F4 | F5 | 115.3° | 120.0° |
| F1 | C2 | O3 | C6 | 132.2° | 60.0° |
| O3 | C2 | F4 | F5 | 120.7° | 120.0° |
| C2 | O3 | C6 | C7 | 176.5° | 180.0° |
| C2 | O3 | C6 | C11 | 3.7° | 0.0° |
| F4 | C2 | O3 | C6 | 109.9° | 60.0° |
| F5 | C2 | O3 | C6 | 6.0° | 180.0° |
| O3 | C6 | C7 | C11 | 179.8° | 180.0° |
| O3 | C6 | C7 | C8 | 179.2° | 180.0° |
| O3 | C6 | C11 | C10 | 179.2° | 180.0° |
| O3 | C6 | C11 | H41 | 0.8° | 0.0° |
| O3 | C6 | C7 | H38 | 0.8° | 0.1° |
| C6 | C7 | C8 | H38 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.2° | 0.3° |
| C7 | C6 | C11 | C10 | 0.6° | 0.0° |
| C7 | C6 | C11 | H41 | 179.4° | 180.0° |
| C6 | C7 | C8 | H39 | 179.8° | 180.0° |
| C11 | C6 | C7 | C8 | 0.6° | 0.0° |
| C6 | C11 | C10 | C9 | 0.1° | 0.2° |
| C6 | C11 | C10 | H41 | 180.0° | 180.0° |
| C6 | C11 | C10 | H40 | 179.9° | 180.0° |
| C11 | C6 | C7 | H38 | 179.4° | 179.9° |
| C7 | C8 | C9 | H39 | 180.0° | 179.7° |
| C7 | C8 | C9 | C10 | 0.3° | 0.5° |
| C7 | C8 | C9 | C12 | 179.6° | 179.9° |
| C8 | C9 | C10 | C12 | 179.4° | 179.6° |
| C8 | C9 | C10 | C11 | 0.3° | 0.5° |
| C8 | C9 | C12 | O13 | 11.9° | 89.9° |
| C8 | C9 | C10 | H40 | 179.7° | 179.7° |
| C9 | C8 | C7 | H38 | 179.8° | 179.8° |
| C8 | C9 | C12 | H43 | 108.1° | 150.0° |
| C8 | C9 | C12 | H42 | 131.9° | 30.0° |
| C9 | C10 | C11 | H40 | 180.0° | 179.8° |
| C10 | C9 | C12 | O13 | 168.8° | 90.5° |
| C9 | C10 | C11 | H41 | 179.9° | 179.8° |
| C10 | C9 | C8 | H39 | 179.7° | 179.8° |
| C10 | C9 | C12 | H43 | 71.2° | 29.6° |
| C10 | C9 | C12 | H42 | 48.8° | 149.5° |
| C12 | C9 | C10 | C11 | 179.7° | 180.0° |
| C9 | C12 | O13 | H43 | 120.0° | 120.0° |
| C9 | C12 | O13 | H42 | 120.0° | 120.0° |
| C9 | C12 | O13 | C14 | 161.0° | 180.0° |
| C12 | C9 | C10 | H40 | 0.3° | 0.1° |
| C12 | C9 | C8 | H39 | 0.4° | 0.2° |
| C9 | C12 | H43 | H42 | 120.0° | 120.0° |
| C12 | O13 | C14 | O15 | 0.1° | 0.1° |
| C12 | O13 | C14 | N16 | 179.6° | 180.0° |
| O13 | C12 | H43 | H42 | 120.0° | 120.0° |
| O13 | C14 | O15 | N16 | 179.4° | 180.0° |
| O13 | C14 | N16 | C17 | 18.6° | 179.9° |
| O13 | C14 | N16 | C18 | 164.0° | 0.1° |
| C14 | O13 | C12 | H43 | 41.0° | 60.0° |
| C14 | O13 | C12 | H42 | 79.0° | 60.0° |
| O15 | C14 | N16 | C17 | 160.9° | 0.0° |
| O15 | C14 | N16 | C18 | 15.4° | 179.9° |
| C14 | N16 | C17 | C18 | 150.6° | 179.9° |
| C14 | N16 | C17 | C20 | 178.8° | 173.2° |
| C14 | N16 | C18 | C19 | 146.8° | 154.2° |
| C14 | N16 | C17 | H44 | 62.9° | 54.4° |
| C14 | N16 | C17 | H45 | 60.6° | 68.1° |
| C14 | N16 | C18 | H47 | 94.6° | 36.0° |
| C14 | N16 | C18 | H46 | 28.3° | 87.4° |
| N16 | C17 | C20 | H44 | 118.2° | 118.8° |
| N16 | C17 | C20 | H45 | 118.2° | 118.8° |
| C17 | N16 | C18 | C19 | 1.0° | 25.9° |
| N16 | C17 | C20 | C19 | 46.9° | 35.0° |
| N16 | C17 | C20 | C21 | 159.4° | 148.3° |
| N16 | C17 | H44 | H45 | 125.0° | 122.5° |
| C17 | N16 | C18 | H47 | 119.6° | 144.1° |
| C17 | N16 | C18 | H46 | 117.5° | 92.4° |
| N16 | C17 | C20 | H24 | 68.7° | 77.8° |
| C18 | N16 | C17 | C20 | 30.6° | 6.7° |
| N16 | C18 | C19 | H47 | 118.6° | 118.2° |
| N16 | C18 | C19 | H46 | 118.6° | 118.5° |
| N16 | C18 | C19 | C20 | 28.2° | 45.6° |
| N16 | C18 | C19 | C23 | 139.8° | 150.6° |
| C18 | N16 | C17 | H44 | 87.7° | 125.5° |
| C18 | N16 | C17 | H45 | 148.8° | 112.1° |
| N16 | C18 | H47 | H46 | 124.1° | 123.7° |
| N16 | C18 | C19 | H25 | 86.4° | 71.4° |
| C17 | C20 | C19 | C18 | 48.5° | 50.1° |
| C17 | C20 | C19 | C21 | 127.6° | 133.7° |
| C17 | C20 | C19 | H24 | 116.1° | 113.6° |
| C17 | C20 | C19 | C23 | 179.5° | 176.3° |
| C17 | C20 | C21 | H24 | 132.0° | 134.1° |
| C17 | C20 | C21 | N22 | 145.9° | 148.4° |
| C20 | C17 | H44 | H45 | 125.0° | 122.4° |
| C17 | C20 | C19 | H25 | 66.2° | 66.5° |
| C17 | C20 | C21 | H48 | 27.4° | 29.6° |
| C17 | C20 | C21 | H49 | 95.5° | 92.9° |
| C18 | C19 | C20 | C23 | 132.0° | 126.2° |
| C18 | C19 | C20 | H25 | 114.7° | 116.6° |
| C18 | C19 | C23 | H25 | 133.8° | 137.8° |
| C18 | C19 | C20 | C21 | 176.1° | 176.3° |
| C18 | C19 | C23 | N22 | 159.4° | 150.6° |
| C19 | C18 | H47 | H46 | 124.1° | 123.4° |
| C18 | C19 | C20 | H24 | 67.6° | 63.5° |
| C18 | C19 | C23 | H51 | 41.3° | 32.3° |
| C18 | C19 | C23 | H50 | 82.5° | 91.0° |
| C20 | C19 | C23 | H25 | 113.1° | 117.3° |
| C19 | C20 | C21 | H24 | 116.0° | 112.5° |
| C19 | C20 | C21 | N22 | 34.0° | 35.0° |
| C20 | C19 | C23 | N22 | 46.3° | 45.7° |
| C19 | C20 | C17 | H44 | 71.4° | 153.8° |
| C19 | C20 | C17 | H45 | 165.1° | 83.8° |
| C20 | C19 | C18 | H47 | 90.4° | 163.9° |
| C20 | C19 | C18 | H46 | 146.8° | 72.8° |
| C19 | C20 | C21 | H48 | 84.6° | 83.7° |
| C19 | C20 | C21 | H49 | 152.5° | 153.8° |
| C20 | C19 | C23 | H51 | 71.8° | 72.6° |
| C20 | C19 | C23 | H50 | 164.5° | 164.1° |
| C23 | C19 | C20 | C21 | 51.9° | 50.1° |
| C19 | C23 | N22 | C21 | 27.5° | 25.9° |
| C19 | C23 | N22 | H51 | 118.1° | 118.2° |
| C19 | C23 | N22 | H50 | 118.1° | 118.3° |
| C19 | C23 | N22 | C26 | 151.8° | 154.2° |
| C23 | C19 | C18 | H47 | 21.2° | 91.2° |
| C23 | C19 | C18 | H46 | 101.7° | 32.1° |
| C23 | C19 | C20 | H24 | 64.4° | 62.7° |
| C19 | C23 | H51 | H50 | 125.3° | 123.4° |
| C20 | C21 | N22 | H48 | 118.5° | 118.7° |
| C20 | C21 | N22 | H49 | 118.5° | 118.8° |
| C20 | C21 | N22 | C23 | 4.1° | 6.7° |
| C20 | C21 | N22 | C26 | 176.7° | 173.2° |
| C21 | C20 | C17 | H44 | 41.2° | 92.8° |
| C21 | C20 | C17 | H45 | 82.3° | 29.5° |
| C21 | C20 | C19 | H25 | 61.4° | 67.1° |
| C20 | C21 | H48 | H49 | 124.2° | 122.4° |
| C21 | N22 | C23 | C26 | 179.2° | 180.0° |
| C21 | N22 | C26 | N27 | 157.4° | 5.9° |
| C21 | N22 | C26 | O28 | 23.0° | 174.1° |
| N22 | C21 | C20 | H24 | 82.1° | 77.5° |
| N22 | C21 | H48 | H49 | 124.3° | 122.4° |
| C21 | N22 | C23 | H51 | 90.7° | 92.4° |
| C21 | N22 | C23 | H50 | 145.6° | 144.2° |
| C23 | N22 | C26 | N27 | 23.5° | 174.1° |
| C23 | N22 | C26 | O28 | 156.1° | 5.9° |
| N22 | C23 | C19 | H25 | 66.8° | 71.6° |
| C23 | N22 | C21 | H48 | 114.3° | 112.0° |
| C23 | N22 | C21 | H49 | 122.7° | 125.5° |
| N22 | C23 | H51 | H50 | 125.2° | 123.6° |
| N22 | C26 | N27 | O28 | 179.6° | 179.9° |
| N22 | C26 | N27 | C29 | 58.2° | 166.0° |
| N22 | C26 | N27 | C33 | 158.9° | 14.3° |
| C26 | N22 | C21 | H48 | 64.8° | 68.0° |
| C26 | N22 | C21 | H49 | 58.2° | 54.4° |
| C26 | N22 | C23 | H51 | 90.1° | 87.6° |
| C26 | N22 | C23 | H50 | 33.6° | 35.9° |
| C26 | N27 | C29 | C33 | 144.0° | 179.7° |
| C26 | N27 | C29 | C30 | 153.4° | 126.3° |
| C26 | N27 | C33 | C32 | 148.8° | 126.4° |
| C26 | N27 | C29 | H52 | 86.7° | 113.8° |
| C26 | N27 | C29 | H53 | 33.4° | 6.6° |
| C26 | N27 | C33 | H59 | 28.9° | 6.5° |
| C26 | N27 | C33 | H60 | 91.2° | 113.9° |
| O28 | C26 | N27 | C29 | 122.2° | 14.1° |
| O28 | C26 | N27 | C33 | 20.7° | 165.6° |
| N27 | C29 | C30 | H52 | 120.0° | 119.8° |
| N27 | C29 | C30 | H53 | 120.0° | 119.8° |
| N27 | C29 | C30 | C31 | 56.7° | 54.6° |
| C29 | N27 | C33 | C32 | 63.9° | 53.3° |
| N27 | C29 | H52 | H53 | 120.1° | 120.3° |
| N27 | C29 | C30 | H55 | 176.8° | 174.6° |
| N27 | C29 | C30 | H54 | 63.5° | 65.3° |
| C29 | N27 | C33 | H59 | 176.1° | 173.2° |
| C29 | N27 | C33 | H60 | 56.0° | 66.5° |
| C33 | N27 | C29 | C30 | 62.7° | 53.3° |
| N27 | C33 | C32 | C31 | 58.6° | 54.4° |
| N27 | C33 | C32 | H59 | 120.0° | 119.9° |
| N27 | C33 | C32 | H60 | 119.9° | 119.9° |
| C33 | N27 | C29 | H52 | 57.3° | 66.5° |
| C33 | N27 | C29 | H53 | 177.3° | 173.1° |
| N27 | C33 | C32 | H57 | 178.6° | 174.5° |
| N27 | C33 | C32 | H58 | 61.5° | 65.5° |
| N27 | C33 | H59 | H60 | 120.1° | 120.3° |
| C29 | C30 | C31 | H55 | 120.1° | 119.9° |
| C29 | C30 | C31 | H54 | 120.1° | 120.0° |
| C29 | C30 | C31 | C32 | 53.5° | 61.3° |
| C29 | C30 | C31 | S34 | 178.4° | 178.6° |
| C30 | C29 | H52 | H53 | 120.0° | 120.3° |
| C29 | C30 | H55 | H54 | 119.6° | 120.1° |
| C29 | C30 | C31 | H56 | 65.4° | 58.6° |
| C30 | C31 | C32 | S34 | 123.3° | 120.0° |
| C30 | C31 | C32 | H56 | 118.9° | 120.0° |
| C30 | C31 | S34 | H56 | 117.3° | 120.0° |
| C30 | C31 | C32 | C33 | 54.4° | 61.2° |
| C30 | C31 | S34 | N35 | 18.9° | 180.0° |
| C30 | C31 | S34 | O36 | 95.9° | 68.4° |
| C30 | C31 | S34 | O37 | 132.2° | 68.4° |
| C31 | C30 | C29 | H52 | 63.3° | 65.2° |
| C31 | C30 | C29 | H53 | 176.6° | 174.4° |
| C31 | C30 | H55 | H54 | 119.7° | 120.1° |
| C30 | C31 | C32 | H57 | 174.5° | 178.7° |
| C30 | C31 | C32 | H58 | 65.6° | 58.6° |
| C32 | C31 | S34 | H56 | 119.0° | 120.0° |
| C31 | C32 | C33 | H57 | 120.0° | 120.1° |
| C31 | C32 | C33 | H58 | 120.0° | 119.9° |
| C32 | C31 | S34 | N35 | 142.5° | 59.9° |
| C32 | C31 | S34 | O36 | 27.8° | 171.5° |
| C32 | C31 | S34 | O37 | 104.1° | 51.7° |
| C32 | C31 | C30 | H55 | 173.7° | 178.7° |
| C32 | C31 | C30 | H54 | 66.6° | 58.6° |
| C31 | C32 | H57 | H58 | 120.0° | 120.1° |
| C31 | C32 | C33 | H59 | 178.5° | 174.3° |
| C31 | C32 | C33 | H60 | 61.4° | 65.5° |
| S34 | C31 | C32 | C33 | 177.7° | 178.8° |
| C31 | S34 | N35 | O36 | 115.1° | 116.1° |
| C31 | S34 | N35 | O37 | 112.0° | 116.1° |
| C31 | S34 | O36 | O37 | 123.8° | 131.6° |
| S34 | C31 | C30 | H55 | 61.4° | 58.7° |
| S34 | C31 | C30 | H54 | 58.3° | 61.5° |
| S34 | C31 | C32 | H57 | 62.3° | 58.7° |
| S34 | C31 | C32 | H58 | 57.7° | 61.4° |
| C31 | S34 | N35 | H62 | 180.0° | 150.0° |
| C31 | S34 | N35 | H61 | 60.0° | 30.0° |
| C33 | C32 | C31 | H56 | 64.5° | 58.8° |
| C33 | C32 | H57 | H58 | 119.9° | 119.9° |
| C32 | C33 | H59 | H60 | 120.1° | 120.1° |
| N35 | S34 | O36 | O37 | 126.0° | 116.7° |
| N35 | S34 | C31 | H56 | 98.5° | 60.1° |
| S34 | N35 | H62 | H61 | 120.0° | 180.0° |
| O36 | S34 | C31 | H56 | 146.8° | 51.6° |
| O36 | S34 | N35 | H62 | 64.9° | 33.9° |
| O36 | S34 | N35 | H61 | 175.1° | 146.1° |
| O37 | S34 | C31 | H56 | 14.9° | 171.7° |
| O37 | S34 | N35 | H62 | 68.0° | 93.9° |
| O37 | S34 | N35 | H61 | 52.0° | 86.1° |
| H40 | C10 | C11 | H41 | 0.1° | 0.0° |
| H44 | C17 | C20 | H24 | 173.1° | 41.1° |
| H45 | C17 | C20 | H24 | 49.5° | 163.4° |
| H47 | C18 | C19 | H25 | 155.0° | 46.8° |
| H46 | C18 | C19 | H25 | 32.2° | 170.1° |
| H25 | C19 | C20 | H24 | 177.7° | 179.9° |
| H25 | C19 | C23 | H51 | 175.1° | 170.1° |
| H25 | C19 | C23 | H50 | 51.3° | 46.8° |
| H24 | C20 | C21 | H48 | 159.4° | 163.8° |
| H24 | C20 | C21 | H49 | 36.5° | 41.3° |
| H38 | C7 | C8 | H39 | 0.2° | 0.1° |
| H52 | C29 | C30 | H55 | 56.8° | 54.7° |
| H52 | C29 | C30 | H54 | 176.5° | 174.9° |
| H53 | C29 | C30 | H55 | 63.2° | 65.6° |
| H53 | C29 | C30 | H54 | 56.5° | 54.5° |
| H55 | C30 | C31 | H56 | 54.7° | 61.3° |
| H54 | C30 | C31 | H56 | 174.5° | 178.6° |
| H56 | C31 | C32 | H57 | 55.6° | 61.3° |
| H56 | C31 | C32 | H58 | 175.5° | 178.6° |
| H57 | C32 | C33 | H59 | 61.5° | 65.6° |
| H57 | C32 | C33 | H60 | 58.6° | 54.6° |
| H58 | C32 | C33 | H59 | 58.5° | 54.4° |
| H58 | C32 | C33 | H60 | 178.6° | 174.7° |
