NN1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | O3 | sing | 1.37Å | 1.40Å | |
| C4 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | S1 | sing | 1.78Å | 1.77Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C5 | H53 | sing | 1.09Å | 1.10Å | |
| C6 | CL1 | sing | 1.73Å | 1.73Å | |
| C6 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | H7 | sing | 1.09Å | 1.08Å | |
| C8 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | H8 | sing | 1.09Å | 1.08Å | |
| C10 | C9 | doub | 1.40Å | 1.38Å | Aromatic |
| C10 | F1 | sing | 1.34Å | 1.35Å | |
| C15 | C20 | sing | 1.54Å | 1.52Å | |
| C15 | N4 | sing | 1.44Å | 1.44Å | |
| C15 | C16 | sing | 1.54Å | 1.52Å | |
| C15 | H15 | sing | 1.10Å | 1.10Å | |
| C17 | C18 | sing | 1.54Å | 1.52Å | |
| C17 | C16 | sing | 1.54Å | 1.52Å | |
| C17 | H171 | sing | 1.10Å | 1.10Å | |
| C17 | H172 | sing | 1.10Å | 1.10Å | |
| C20 | C19 | sing | 1.54Å | 1.52Å | |
| C20 | C21 | sing | 1.54Å | 1.52Å | |
| C20 | H20 | sing | 1.10Å | 1.10Å | |
| C21 | C22 | sing | 1.54Å | 1.52Å | |
| C21 | H211 | sing | 1.10Å | 1.10Å | |
| C21 | H212 | sing | 1.10Å | 1.10Å | |
| C22 | C23 | sing | 1.54Å | 1.52Å | |
| C22 | S1 | sing | 1.78Å | 1.78Å | |
| C22 | C24 | sing | 1.54Å | 1.53Å | |
| C24 | C16 | sing | 1.54Å | 1.52Å | |
| C24 | H241 | sing | 1.10Å | 1.10Å | |
| C24 | H242 | sing | 1.10Å | 1.10Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.10Å | 1.10Å | |
| C1 | H13 | sing | 1.10Å | 1.10Å | |
| C2 | O3 | sing | 1.43Å | 1.44Å | |
| C2 | C14 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | H31 | sing | 1.10Å | 1.10Å | |
| C3 | H32 | sing | 1.10Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C14 | N4 | sing | 1.39Å | 1.37Å | |
| C14 | O1 | doub | 1.23Å | 1.23Å | |
| N4 | HN4 | sing | 1.02Å | 1.00Å | |
| C16 | H16 | sing | 1.10Å | 1.10Å | |
| C18 | C19 | sing | 1.54Å | 1.52Å | |
| C18 | C23 | sing | 1.54Å | 1.52Å | |
| C18 | H18 | sing | 1.10Å | 1.10Å | |
| C19 | H191 | sing | 1.10Å | 1.10Å | |
| C19 | H192 | sing | 1.10Å | 1.10Å | |
| C23 | H231 | sing | 1.10Å | 1.10Å | |
| C23 | H232 | sing | 1.10Å | 1.10Å | |
| S1 | O4 | doub | 1.45Å | 1.45Å | |
| S1 | O2 | doub | 1.45Å | 1.45Å | |
| C9 | H9 | sing | 1.09Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C4 | C6 | 119.5° | 121.0° |
| O3 | C4 | C7 | 120.5° | 118.6° |
| C4 | O3 | C2 | 114.9° | 116.6° |
| C6 | C4 | C7 | 120.0° | 120.4° |
| C4 | C6 | CL1 | 121.4° | 121.2° |
| C4 | C6 | C9 | 119.8° | 119.8° |
| C4 | C7 | C8 | 120.3° | 119.8° |
| C4 | C7 | H7 | 119.8° | 120.6° |
| S1 | C5 | H51 | 109.5° | 108.4° |
| S1 | C5 | H52 | 109.5° | 108.4° |
| S1 | C5 | H53 | 109.5° | 108.4° |
| C5 | S1 | C22 | 102.6° | 102.9° |
| C5 | S1 | O4 | 105.6° | 107.9° |
| C5 | S1 | O2 | 108.2° | 107.9° |
| H51 | C5 | H52 | 109.4° | 110.5° |
| H51 | C5 | H53 | 109.4° | 110.5° |
| H52 | C5 | H53 | 109.5° | 110.5° |
| CL1 | C6 | C9 | 118.8° | 119.0° |
| C6 | C9 | C10 | 119.8° | 120.0° |
| C6 | C9 | H9 | 120.1° | 120.9° |
| C8 | C7 | H7 | 119.9° | 119.6° |
| C7 | C8 | C10 | 119.5° | 120.0° |
| C7 | C8 | H8 | 120.2° | 120.0° |
| C10 | C8 | H8 | 120.2° | 120.0° |
| C8 | C10 | C9 | 120.6° | 120.0° |
| C8 | C10 | F1 | 119.9° | 120.1° |
| C9 | C10 | F1 | 119.5° | 119.9° |
| C10 | C9 | H9 | 120.1° | 119.2° |
| C20 | C15 | N4 | 111.9° | 112.1° |
| C20 | C15 | C16 | 109.8° | 109.6° |
| C20 | C15 | H15 | 109.0° | 108.8° |
| C15 | C20 | C19 | 111.2° | 110.4° |
| C15 | C20 | C21 | 107.6° | 108.5° |
| C15 | C20 | H20 | 109.4° | 110.2° |
| N4 | C15 | C16 | 113.4° | 112.8° |
| N4 | C15 | H15 | 105.1° | 104.6° |
| C15 | N4 | C14 | 120.0° | 122.1° |
| C15 | N4 | HN4 | 120.0° | 117.9° |
| C16 | C15 | H15 | 107.3° | 108.7° |
| C15 | C16 | C17 | 111.2° | 110.4° |
| C15 | C16 | C24 | 108.4° | 108.5° |
| C15 | C16 | H16 | 108.7° | 110.2° |
| C18 | C17 | C16 | 109.8° | 110.2° |
| C18 | C17 | H171 | 109.4° | 110.0° |
| C18 | C17 | H172 | 109.3° | 109.7° |
| C17 | C18 | C19 | 109.1° | 109.3° |
| C17 | C18 | C23 | 109.7° | 109.2° |
| C17 | C18 | H18 | 109.5° | 109.7° |
| C16 | C17 | H171 | 109.4° | 110.8° |
| C16 | C17 | H172 | 109.3° | 109.7° |
| C17 | C16 | C24 | 108.3° | 108.7° |
| C17 | C16 | H16 | 108.7° | 109.4° |
| H171 | C17 | H172 | 109.7° | 106.4° |
| C19 | C20 | C21 | 108.9° | 108.7° |
| C19 | C20 | H20 | 108.1° | 109.4° |
| C20 | C19 | C18 | 109.9° | 110.2° |
| C20 | C19 | H191 | 109.3° | 109.7° |
| C20 | C19 | H192 | 109.2° | 110.4° |
| C21 | C20 | H20 | 111.7° | 109.6° |
| C20 | C21 | C22 | 110.3° | 110.2° |
| C20 | C21 | H211 | 109.2° | 109.8° |
| C20 | C21 | H212 | 109.0° | 109.9° |
| C22 | C21 | H211 | 109.2° | 110.3° |
| C22 | C21 | H212 | 109.0° | 110.3° |
| C21 | C22 | C23 | 108.7° | 108.9° |
| C21 | C22 | S1 | 108.7° | 109.9° |
| C21 | C22 | C24 | 110.2° | 109.3° |
| H211 | C21 | H212 | 110.1° | 106.3° |
| C23 | C22 | S1 | 110.2° | 109.9° |
| C23 | C22 | C24 | 108.4° | 108.9° |
| C22 | C23 | C18 | 109.8° | 110.1° |
| C22 | C23 | H231 | 109.3° | 110.3° |
| C22 | C23 | H232 | 109.3° | 110.3° |
| S1 | C22 | C24 | 110.7° | 109.9° |
| C22 | S1 | O4 | 108.8° | 107.7° |
| C22 | S1 | O2 | 108.9° | 107.7° |
| C22 | C24 | C16 | 109.9° | 110.2° |
| C22 | C24 | H241 | 109.3° | 110.3° |
| C22 | C24 | H242 | 109.3° | 110.4° |
| C16 | C24 | H241 | 109.3° | 109.8° |
| C16 | C24 | H242 | 109.2° | 109.8° |
| C24 | C16 | H16 | 111.5° | 109.6° |
| H241 | C24 | H242 | 109.8° | 106.2° |
| C2 | C1 | H11 | 109.5° | 112.4° |
| C2 | C1 | H12 | 109.4° | 110.8° |
| C2 | C1 | H13 | 109.5° | 110.7° |
| C1 | C2 | O3 | 106.7° | 107.0° |
| C1 | C2 | C14 | 107.4° | 111.1° |
| C1 | C2 | C3 | 108.2° | 111.3° |
| H11 | C1 | H12 | 109.4° | 108.3° |
| H11 | C1 | H13 | 109.4° | 107.8° |
| H12 | C1 | H13 | 109.5° | 106.6° |
| O3 | C2 | C14 | 109.1° | 107.3° |
| O3 | C2 | C3 | 116.1° | 108.3° |
| C14 | C2 | C3 | 108.9° | 111.7° |
| C2 | C14 | N4 | 112.8° | 113.9° |
| C2 | C14 | O1 | 123.5° | 122.0° |
| C2 | C3 | H31 | 109.5° | 110.7° |
| C2 | C3 | H32 | 109.5° | 110.8° |
| C2 | C3 | H33 | 109.4° | 112.3° |
| H31 | C3 | H32 | 109.5° | 106.7° |
| H31 | C3 | H33 | 109.5° | 107.8° |
| H32 | C3 | H33 | 109.5° | 108.4° |
| N4 | C14 | O1 | 123.7° | 124.1° |
| C14 | N4 | HN4 | 120.0° | 120.0° |
| C19 | C18 | C23 | 109.2° | 109.2° |
| C19 | C18 | H18 | 110.0° | 109.7° |
| C18 | C19 | H191 | 109.3° | 109.8° |
| C18 | C19 | H192 | 109.2° | 110.0° |
| C23 | C18 | H18 | 109.4° | 109.7° |
| C18 | C23 | H231 | 109.4° | 109.9° |
| C18 | C23 | H232 | 109.2° | 109.8° |
| H191 | C19 | H192 | 109.9° | 106.6° |
| H231 | C23 | H232 | 109.8° | 106.3° |
| O4 | S1 | O2 | 121.1° | 121.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C4 | C6 | C7 | 178.8° | 180.0° |
| O3 | C4 | C6 | CL1 | 1.0° | 0.1° |
| O3 | C4 | C6 | C9 | 179.7° | 180.0° |
| O3 | C4 | C7 | C8 | 179.8° | 180.0° |
| O3 | C4 | C7 | H7 | 0.2° | 0.0° |
| C4 | O3 | C2 | C1 | 142.8° | 150.7° |
| C4 | O3 | C2 | C14 | 101.4° | 90.0° |
| C4 | O3 | C2 | C3 | 22.1° | 30.7° |
| C4 | C6 | CL1 | C9 | 179.4° | 179.9° |
| C6 | C4 | C7 | C8 | 0.9° | 0.0° |
| C6 | C4 | C7 | H7 | 179.0° | 180.0° |
| C4 | C6 | C9 | C10 | 0.4° | 0.0° |
| C6 | C4 | O3 | C2 | 105.5° | 120.0° |
| C4 | C6 | C9 | H9 | 179.6° | 180.0° |
| C7 | C4 | C6 | CL1 | 179.8° | 179.9° |
| C7 | C4 | C6 | C9 | 0.9° | 0.0° |
| C4 | C7 | C8 | H7 | 180.0° | 180.0° |
| C4 | C7 | C8 | C10 | 0.5° | 0.0° |
| C4 | C7 | C8 | H8 | 179.5° | 180.0° |
| C7 | C4 | O3 | C2 | 75.7° | 60.0° |
| S1 | C5 | H51 | H52 | 120.0° | 118.7° |
| S1 | C5 | H51 | H53 | 120.0° | 118.6° |
| S1 | C5 | H52 | H53 | 120.0° | 118.6° |
| C5 | S1 | C22 | C21 | 77.8° | 60.1° |
| C5 | S1 | C22 | C23 | 163.2° | 180.0° |
| C5 | S1 | C22 | O4 | 111.6° | 113.9° |
| C5 | S1 | C22 | O2 | 114.5° | 113.9° |
| C5 | S1 | C22 | C24 | 43.3° | 60.1° |
| C5 | S1 | O4 | O2 | 123.2° | 124.9° |
| H51 | C5 | H52 | H53 | 120.0° | 122.7° |
| H51 | C5 | S1 | C22 | 63.2° | 25.9° |
| H51 | C5 | S1 | O4 | 177.2° | 139.7° |
| H51 | C5 | S1 | O2 | 51.8° | 87.8° |
| H52 | C5 | S1 | C22 | 176.8° | 94.1° |
| H52 | C5 | S1 | O4 | 62.8° | 19.7° |
| H52 | C5 | S1 | O2 | 68.2° | 152.2° |
| H53 | C5 | S1 | C22 | 56.8° | 145.9° |
| H53 | C5 | S1 | O4 | 57.2° | 100.3° |
| H53 | C5 | S1 | O2 | 171.8° | 32.2° |
| CL1 | C6 | C9 | C10 | 179.8° | 179.9° |
| CL1 | C6 | C9 | H9 | 0.3° | 0.1° |
| C6 | C9 | C10 | C8 | 0.0° | 0.0° |
| C6 | C9 | C10 | H9 | 180.0° | 180.0° |
| C6 | C9 | C10 | F1 | 180.0° | 180.0° |
| C7 | C8 | C10 | H8 | 180.0° | 180.0° |
| C7 | C8 | C10 | C9 | 0.0° | 0.0° |
| C7 | C8 | C10 | F1 | 179.9° | 180.0° |
| H7 | C7 | C8 | C10 | 179.5° | 180.0° |
| H7 | C7 | C8 | H8 | 0.6° | 0.0° |
| C8 | C10 | C9 | F1 | 180.0° | 179.9° |
| C8 | C10 | C9 | H9 | 180.0° | 179.9° |
| H8 | C8 | C10 | C9 | 179.9° | 180.0° |
| H8 | C8 | C10 | F1 | 0.1° | 0.0° |
| F1 | C10 | C9 | H9 | 0.0° | 0.0° |
| C20 | C15 | N4 | C16 | 124.9° | 124.3° |
| C20 | C15 | N4 | H15 | 118.2° | 117.8° |
| C20 | C15 | C16 | H15 | 118.4° | 118.8° |
| C20 | C15 | C16 | C17 | 56.1° | 57.6° |
| C15 | C20 | C19 | C21 | 118.4° | 118.9° |
| C15 | C20 | C19 | H20 | 120.1° | 121.4° |
| C15 | C20 | C21 | H20 | 120.0° | 120.4° |
| C15 | C20 | C21 | C22 | 60.6° | 60.2° |
| C15 | C20 | C21 | H211 | 179.5° | 178.1° |
| C15 | C20 | C21 | H212 | 59.1° | 61.6° |
| C20 | C15 | C16 | C24 | 62.9° | 61.4° |
| C20 | C15 | N4 | C14 | 146.0° | 147.8° |
| C20 | C15 | N4 | HN4 | 34.0° | 33.4° |
| C20 | C15 | C16 | H16 | 175.7° | 178.5° |
| C15 | C20 | C19 | C18 | 58.7° | 59.0° |
| C15 | C20 | C19 | H191 | 61.3° | 180.0° |
| C15 | C20 | C19 | H192 | 178.4° | 62.8° |
| N4 | C15 | C16 | H15 | 115.6° | 115.5° |
| N4 | C15 | C16 | C17 | 69.9° | 68.1° |
| N4 | C15 | C20 | C19 | 70.8° | 68.4° |
| N4 | C15 | C20 | C21 | 169.9° | 172.6° |
| N4 | C15 | C20 | H20 | 48.5° | 52.5° |
| N4 | C15 | C16 | C24 | 171.1° | 172.9° |
| C15 | N4 | C14 | C2 | 173.1° | 179.9° |
| C15 | N4 | C14 | HN4 | 180.0° | 178.7° |
| C15 | N4 | C14 | O1 | 7.1° | 0.1° |
| N4 | C15 | C16 | H16 | 49.7° | 52.9° |
| C15 | C16 | C17 | C18 | 58.6° | 58.9° |
| C15 | C16 | C17 | C24 | 119.0° | 118.9° |
| C15 | C16 | C17 | H16 | 119.7° | 121.4° |
| C15 | C16 | C17 | H171 | 61.4° | 63.0° |
| C15 | C16 | C17 | H172 | 178.4° | 179.8° |
| C16 | C15 | C20 | C19 | 56.0° | 57.6° |
| C16 | C15 | C20 | C21 | 63.2° | 61.4° |
| C16 | C15 | C20 | H20 | 175.3° | 178.5° |
| C15 | C16 | C24 | C22 | 59.1° | 60.2° |
| C15 | C16 | C24 | H16 | 119.7° | 120.4° |
| C15 | C16 | C24 | H241 | 179.1° | 61.6° |
| C15 | C16 | C24 | H242 | 60.8° | 178.0° |
| C16 | C15 | N4 | C14 | 89.2° | 87.9° |
| C16 | C15 | N4 | HN4 | 90.8° | 90.9° |
| H15 | C15 | C16 | C17 | 174.5° | 176.4° |
| H15 | C15 | C20 | C19 | 173.4° | 176.3° |
| H15 | C15 | C20 | C21 | 54.1° | 57.3° |
| H15 | C15 | C20 | H20 | 67.3° | 62.7° |
| H15 | C15 | C16 | C24 | 55.5° | 57.4° |
| H15 | C15 | N4 | C14 | 27.8° | 30.0° |
| H15 | C15 | N4 | HN4 | 152.2° | 151.2° |
| H15 | C15 | C16 | H16 | 65.9° | 62.6° |
| C18 | C17 | C16 | H171 | 120.0° | 122.0° |
| C18 | C17 | C16 | H172 | 119.9° | 120.9° |
| C18 | C17 | H171 | H172 | 119.9° | 118.8° |
| C17 | C18 | C19 | C20 | 60.0° | 59.4° |
| C17 | C18 | C23 | C22 | 59.4° | 59.7° |
| C18 | C17 | C16 | C24 | 60.4° | 59.9° |
| C18 | C17 | C16 | H16 | 178.3° | 179.6° |
| C17 | C18 | C19 | C23 | 119.8° | 119.4° |
| C17 | C18 | C19 | H18 | 120.1° | 120.4° |
| C17 | C18 | C23 | H18 | 120.1° | 120.3° |
| C17 | C18 | C19 | H191 | 60.0° | 179.6° |
| C17 | C18 | C19 | H192 | 179.7° | 62.6° |
| C17 | C18 | C23 | H231 | 60.6° | 62.0° |
| C17 | C18 | C23 | H232 | 179.2° | 178.6° |
| C16 | C17 | H171 | H172 | 119.9° | 119.1° |
| C17 | C16 | C24 | C22 | 61.7° | 59.9° |
| C17 | C16 | C24 | H16 | 119.6° | 119.5° |
| C17 | C16 | C24 | H241 | 58.4° | 178.3° |
| C17 | C16 | C24 | H242 | 178.5° | 61.9° |
| C16 | C17 | C18 | C19 | 59.9° | 59.4° |
| C16 | C17 | C18 | C23 | 59.6° | 60.0° |
| C16 | C17 | C18 | H18 | 179.6° | 179.8° |
| H171 | C17 | C16 | C24 | 179.6° | 178.1° |
| H171 | C17 | C16 | H16 | 58.3° | 58.4° |
| H171 | C17 | C18 | C19 | 60.0° | 63.0° |
| H171 | C17 | C18 | C23 | 179.6° | 177.6° |
| H171 | C17 | C18 | H18 | 60.4° | 57.3° |
| H172 | C17 | C16 | C24 | 59.5° | 61.0° |
| H172 | C17 | C16 | H16 | 61.9° | 58.7° |
| H172 | C17 | C18 | C19 | 179.8° | 179.8° |
| H172 | C17 | C18 | C23 | 60.3° | 60.8° |
| H172 | C17 | C18 | H18 | 59.8° | 59.4° |
| C19 | C20 | C21 | H20 | 119.3° | 119.6° |
| C19 | C20 | C21 | C22 | 60.1° | 59.9° |
| C19 | C20 | C21 | H211 | 59.9° | 61.9° |
| C19 | C20 | C21 | H212 | 179.7° | 178.4° |
| C20 | C19 | C18 | H191 | 120.0° | 121.0° |
| C20 | C19 | C18 | H192 | 119.8° | 122.0° |
| C20 | C19 | C18 | C23 | 59.9° | 60.0° |
| C20 | C19 | C18 | H18 | 179.9° | 179.8° |
| C20 | C19 | H191 | H192 | 119.8° | 119.6° |
| C20 | C21 | C22 | H211 | 120.0° | 121.4° |
| C20 | C21 | C22 | H212 | 119.7° | 121.5° |
| C20 | C21 | H211 | H212 | 119.7° | 118.7° |
| C20 | C21 | C22 | C23 | 60.2° | 59.8° |
| C20 | C21 | C22 | S1 | 179.9° | 179.7° |
| C20 | C21 | C22 | C24 | 58.4° | 59.1° |
| C21 | C20 | C19 | C18 | 59.7° | 59.9° |
| C21 | C20 | C19 | H191 | 179.7° | 61.2° |
| C21 | C20 | C19 | H192 | 60.0° | 178.4° |
| H20 | C20 | C21 | C22 | 179.4° | 179.4° |
| H20 | C20 | C21 | H211 | 59.4° | 57.7° |
| H20 | C20 | C21 | H212 | 61.0° | 58.8° |
| H20 | C20 | C19 | C18 | 178.7° | 179.6° |
| H20 | C20 | C19 | H191 | 58.8° | 58.5° |
| H20 | C20 | C19 | H192 | 61.5° | 58.7° |
| C22 | C21 | H211 | H212 | 119.7° | 119.6° |
| C21 | C22 | C23 | S1 | 119.0° | 120.4° |
| C21 | C22 | C23 | C24 | 119.7° | 119.1° |
| C21 | C22 | S1 | C24 | 121.1° | 120.3° |
| C21 | C22 | C24 | C16 | 57.3° | 59.1° |
| C21 | C22 | C24 | H241 | 177.3° | 62.4° |
| C21 | C22 | C24 | H242 | 62.5° | 179.4° |
| C21 | C22 | C23 | C18 | 60.0° | 59.5° |
| C21 | C22 | C23 | H231 | 179.9° | 179.0° |
| C21 | C22 | C23 | H232 | 59.9° | 61.9° |
| C21 | C22 | S1 | O4 | 33.8° | 174.0° |
| C21 | C22 | S1 | O2 | 167.7° | 53.7° |
| H211 | C21 | C22 | C23 | 59.8° | 61.6° |
| H211 | C21 | C22 | S1 | 60.2° | 58.9° |
| H211 | C21 | C22 | C24 | 178.4° | 179.5° |
| H212 | C21 | C22 | C23 | 179.9° | 178.7° |
| H212 | C21 | C22 | S1 | 60.2° | 58.2° |
| H212 | C21 | C22 | C24 | 61.3° | 62.4° |
| C23 | C22 | S1 | C24 | 119.9° | 119.9° |
| C23 | C22 | C24 | C16 | 61.4° | 59.8° |
| C23 | C22 | C24 | H241 | 58.6° | 178.7° |
| C23 | C22 | C24 | H242 | 178.7° | 61.7° |
| C22 | C23 | C18 | C19 | 60.1° | 59.7° |
| C22 | C23 | C18 | H231 | 120.0° | 121.7° |
| C22 | C23 | C18 | H232 | 119.9° | 121.7° |
| C22 | C23 | C18 | H18 | 179.5° | 180.0° |
| C22 | C23 | H231 | H232 | 119.9° | 119.6° |
| C23 | C22 | S1 | O4 | 85.1° | 66.2° |
| C23 | C22 | S1 | O2 | 48.7° | 66.1° |
| S1 | C22 | C24 | C16 | 177.6° | 179.7° |
| S1 | C22 | C24 | H241 | 62.4° | 58.3° |
| S1 | C22 | C24 | H242 | 57.7° | 58.8° |
| S1 | C22 | C23 | C18 | 178.9° | 180.0° |
| S1 | C22 | C23 | H231 | 61.1° | 58.6° |
| S1 | C22 | C23 | H232 | 59.1° | 58.6° |
| C22 | S1 | O4 | O2 | 127.2° | 124.6° |
| C22 | C24 | C16 | H241 | 120.0° | 121.8° |
| C22 | C24 | C16 | H242 | 119.8° | 121.8° |
| C22 | C24 | H241 | H242 | 119.9° | 119.6° |
| C22 | C24 | C16 | H16 | 178.7° | 179.4° |
| C24 | C22 | C23 | C18 | 59.8° | 59.5° |
| C24 | C22 | C23 | H231 | 60.2° | 61.9° |
| C24 | C22 | C23 | H232 | 179.6° | 179.1° |
| C24 | C22 | S1 | O4 | 154.9° | 53.7° |
| C24 | C22 | S1 | O2 | 71.2° | 174.0° |
| C16 | C24 | H241 | H242 | 119.8° | 118.7° |
| H241 | C24 | C16 | H16 | 61.3° | 58.8° |
| H242 | C24 | C16 | H16 | 58.9° | 57.6° |
| C2 | C1 | H11 | H12 | 120.0° | 122.8° |
| C2 | C1 | H11 | H13 | 120.0° | 122.2° |
| C2 | C1 | H12 | H13 | 120.0° | 120.5° |
| C1 | C2 | O3 | C14 | 115.8° | 119.3° |
| C1 | C2 | O3 | C3 | 120.7° | 120.0° |
| C1 | C2 | C14 | C3 | 117.0° | 124.9° |
| C1 | C2 | C3 | H31 | 131.8° | 177.8° |
| C1 | C2 | C3 | H32 | 108.2° | 64.0° |
| C1 | C2 | C3 | H33 | 11.8° | 57.3° |
| C1 | C2 | C14 | N4 | 119.3° | 60.0° |
| C1 | C2 | C14 | O1 | 60.9° | 120.0° |
| H11 | C1 | H12 | H13 | 120.0° | 115.8° |
| H11 | C1 | C2 | O3 | 157.0° | 176.4° |
| H11 | C1 | C2 | C14 | 86.1° | 66.8° |
| H11 | C1 | C2 | C3 | 31.4° | 58.2° |
| H12 | C1 | C2 | O3 | 83.0° | 55.0° |
| H12 | C1 | C2 | C14 | 33.9° | 171.8° |
| H12 | C1 | C2 | C3 | 151.4° | 63.1° |
| H13 | C1 | C2 | O3 | 37.0° | 63.1° |
| H13 | C1 | C2 | C14 | 153.9° | 53.7° |
| H13 | C1 | C2 | C3 | 88.6° | 178.8° |
| O3 | C2 | C14 | C3 | 127.7° | 118.5° |
| O3 | C2 | C3 | H31 | 12.0° | 64.9° |
| O3 | C2 | C3 | H32 | 132.0° | 53.3° |
| O3 | C2 | C3 | H33 | 108.0° | 174.6° |
| O3 | C2 | C14 | N4 | 4.0° | 56.6° |
| O3 | C2 | C14 | O1 | 176.2° | 123.4° |
| C14 | C2 | C3 | H31 | 111.7° | 53.0° |
| C14 | C2 | C3 | H32 | 8.3° | 171.2° |
| C14 | C2 | C3 | H33 | 128.3° | 67.5° |
| C2 | C14 | N4 | O1 | 179.8° | 180.0° |
| C2 | C14 | N4 | HN4 | 6.9° | 1.2° |
| C2 | C3 | H31 | H32 | 120.0° | 120.7° |
| C2 | C3 | H31 | H33 | 120.0° | 123.2° |
| C2 | C3 | H32 | H33 | 120.0° | 123.6° |
| C3 | C2 | C14 | N4 | 123.7° | 175.2° |
| C3 | C2 | C14 | O1 | 56.1° | 4.9° |
| H31 | C3 | H32 | H33 | 120.0° | 115.8° |
| O1 | C14 | N4 | HN4 | 172.9° | 178.8° |
| C19 | C18 | C23 | H18 | 120.4° | 120.3° |
| C18 | C19 | H191 | H192 | 119.8° | 119.2° |
| C19 | C18 | C23 | H231 | 179.9° | 178.5° |
| C19 | C18 | C23 | H232 | 59.7° | 62.0° |
| C23 | C18 | C19 | H191 | 179.9° | 61.0° |
| C23 | C18 | C19 | H192 | 59.9° | 178.1° |
| C18 | C23 | H231 | H232 | 119.8° | 118.8° |
| H18 | C18 | C19 | H191 | 60.1° | 59.2° |
| H18 | C18 | C19 | H192 | 60.2° | 57.8° |
| H18 | C18 | C23 | H231 | 59.5° | 58.3° |
| H18 | C18 | C23 | H232 | 60.7° | 58.3° |
