6XS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C33 | C32 | sing | 1.37Å | 1.34Å | Aromatic |
| C33 | C29 | doub | 1.37Å | 1.34Å | Aromatic |
| C32 | C31 | doub | 1.34Å | 1.33Å | Aromatic |
| C31 | CL3 | sing | 1.74Å | 1.73Å | |
| C31 | S30 | sing | 1.71Å | 1.71Å | Aromatic |
| S30 | C29 | sing | 1.76Å | 1.71Å | Aromatic |
| C29 | C28 | sing | 1.46Å | 1.53Å | |
| C28 | O39 | doub | 1.22Å | 1.24Å | |
| C28 | N27 | sing | 1.35Å | 1.33Å | |
| N27 | C26 | sing | 1.47Å | 1.47Å | |
| C26 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.51Å | 1.54Å | |
| C17 | N16 | sing | 1.46Å | 1.47Å | |
| C18 | O38 | doub | 1.21Å | 1.23Å | |
| C18 | N19 | sing | 1.35Å | 1.34Å | |
| N19 | C20 | sing | 1.47Å | 1.48Å | |
| N19 | C24 | sing | 1.47Å | 1.48Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | N22 | sing | 1.47Å | 1.47Å | |
| N22 | C25 | sing | 1.47Å | 1.47Å | |
| N22 | C23 | sing | 1.47Å | 1.47Å | |
| C23 | C24 | sing | 1.54Å | 1.53Å | |
| N16 | S15 | sing | 1.66Å | 1.63Å | |
| S15 | O36 | doub | 1.42Å | 1.50Å | |
| S15 | O37 | doub | 1.42Å | 1.50Å | |
| S15 | C9 | sing | 1.76Å | 1.75Å | |
| C9 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | CL4 | sing | 1.74Å | 1.73Å | |
| C8 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | F13 | sing | 1.35Å | 1.35Å | |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | N3 | sing | 1.40Å | 1.41Å | |
| N3 | C2 | sing | 1.46Å | 1.48Å | |
| N3 | C4 | sing | 1.33Å | 1.40Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.50Å | 1.53Å | |
| C4 | O35 | doub | 1.21Å | 1.23Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| N27 | H27 | sing | 0.97Å | 1.00Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| N16 | H16 | sing | 0.97Å | 1.00Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C33 | C29 | 115.0° | 113.3° |
| C33 | C32 | C31 | 115.0° | 115.1° |
| C32 | C33 | H33 | 122.5° | 123.3° |
| C33 | C32 | H32 | 122.5° | 122.4° |
| C33 | C29 | S30 | 108.8° | 109.1° |
| C33 | C29 | C28 | 126.0° | 125.4° |
| C29 | C33 | H33 | 122.5° | 123.4° |
| C32 | C31 | CL3 | 125.7° | 124.6° |
| C32 | C31 | S30 | 108.9° | 110.9° |
| C31 | C32 | H32 | 122.5° | 122.5° |
| CL3 | C31 | S30 | 125.4° | 124.5° |
| C31 | S30 | C29 | 92.2° | 91.6° |
| S30 | C29 | C28 | 125.1° | 125.5° |
| C29 | C28 | O39 | 120.1° | 120.0° |
| C29 | C28 | N27 | 116.1° | 120.0° |
| O39 | C28 | N27 | 123.8° | 120.0° |
| C28 | N27 | C26 | 121.3° | 120.0° |
| C28 | N27 | H27 | 119.4° | 119.9° |
| N27 | C26 | C17 | 111.0° | 109.5° |
| C26 | N27 | H27 | 119.4° | 120.0° |
| N27 | C26 | H261 | 109.1° | 109.5° |
| N27 | C26 | H262 | 109.1° | 109.4° |
| C26 | C17 | C18 | 108.7° | 109.5° |
| C26 | C17 | N16 | 109.5° | 109.5° |
| C17 | C26 | H261 | 109.1° | 109.5° |
| C17 | C26 | H262 | 109.1° | 109.5° |
| C26 | C17 | H17 | 109.7° | 109.4° |
| C18 | C17 | N16 | 108.7° | 109.5° |
| C17 | C18 | O38 | 120.7° | 120.0° |
| C17 | C18 | N19 | 120.0° | 120.0° |
| C18 | C17 | H17 | 109.7° | 109.5° |
| C17 | N16 | S15 | 109.2° | 120.0° |
| N16 | C17 | H17 | 110.6° | 109.5° |
| C17 | N16 | H16 | 109.5° | 120.0° |
| O38 | C18 | N19 | 119.2° | 120.0° |
| C18 | N19 | C20 | 120.5° | 120.9° |
| C18 | N19 | C24 | 119.7° | 120.9° |
| C20 | N19 | C24 | 119.8° | 118.2° |
| N19 | C20 | C21 | 109.1° | 108.5° |
| N19 | C20 | H201 | 109.5° | 109.6° |
| N19 | C20 | H202 | 109.6° | 109.6° |
| N19 | C24 | C23 | 109.1° | 108.3° |
| N19 | C24 | H241 | 109.6° | 109.6° |
| N19 | C24 | H242 | 109.5° | 109.6° |
| C20 | C21 | N22 | 109.1° | 109.4° |
| C21 | C20 | H201 | 109.6° | 109.6° |
| C21 | C20 | H202 | 109.5° | 109.6° |
| C20 | C21 | H211 | 109.6° | 109.6° |
| C20 | C21 | H212 | 109.6° | 109.5° |
| C21 | N22 | C25 | 109.4° | 111.0° |
| C21 | N22 | C23 | 107.9° | 111.3° |
| N22 | C21 | H211 | 109.5° | 109.4° |
| N22 | C21 | H212 | 109.6° | 109.5° |
| C25 | N22 | C23 | 108.8° | 111.0° |
| N22 | C25 | H251 | 109.5° | 109.5° |
| N22 | C25 | H252 | 109.5° | 109.5° |
| N22 | C25 | H253 | 109.4° | 109.5° |
| N22 | C23 | C24 | 109.4° | 109.3° |
| N22 | C23 | H231 | 109.5° | 109.5° |
| N22 | C23 | H232 | 109.5° | 109.5° |
| C23 | C24 | H241 | 109.6° | 109.8° |
| C23 | C24 | H242 | 109.6° | 109.7° |
| C24 | C23 | H231 | 109.5° | 109.6° |
| C24 | C23 | H232 | 109.5° | 109.5° |
| N16 | S15 | O36 | 109.7° | 106.4° |
| N16 | S15 | O37 | 108.9° | 106.4° |
| N16 | S15 | C9 | 110.2° | 107.2° |
| S15 | N16 | H16 | 109.6° | 120.0° |
| O36 | S15 | O37 | 109.3° | 123.2° |
| O36 | S15 | C9 | 110.0° | 106.4° |
| O37 | S15 | C9 | 108.7° | 106.4° |
| S15 | C9 | C8 | 120.5° | 120.0° |
| S15 | C9 | C10 | 118.7° | 120.0° |
| C8 | C9 | C10 | 120.8° | 120.0° |
| C9 | C8 | CL4 | 117.6° | 120.0° |
| C9 | C8 | C7 | 119.6° | 120.0° |
| C9 | C10 | C11 | 119.5° | 120.2° |
| C9 | C10 | H10 | 120.3° | 119.9° |
| CL4 | C8 | C7 | 122.8° | 120.0° |
| C8 | C7 | C12 | 119.4° | 119.9° |
| C8 | C7 | N3 | 122.6° | 120.1° |
| C10 | C11 | F13 | 120.3° | 120.0° |
| C10 | C11 | C12 | 119.8° | 120.0° |
| C11 | C10 | H10 | 120.3° | 119.9° |
| F13 | C11 | C12 | 119.9° | 119.9° |
| C11 | C12 | C7 | 120.9° | 119.9° |
| C11 | C12 | H12 | 119.5° | 120.1° |
| C12 | C7 | N3 | 118.0° | 120.1° |
| C7 | C12 | H12 | 119.6° | 120.0° |
| C7 | N3 | C2 | 123.5° | 118.0° |
| C7 | N3 | C4 | 120.9° | 117.9° |
| C2 | N3 | C4 | 115.6° | 124.1° |
| N3 | C2 | C1 | 108.0° | 110.5° |
| N3 | C2 | H21C | 109.9° | 109.3° |
| N3 | C2 | H22C | 109.9° | 109.3° |
| N3 | C4 | C5 | 116.5° | 123.5° |
| N3 | C4 | O35 | 122.8° | 118.3° |
| C2 | C1 | C6 | 112.5° | 108.6° |
| C1 | C2 | H21C | 109.8° | 109.3° |
| C1 | C2 | H22C | 109.8° | 109.3° |
| C2 | C1 | H11C | 108.7° | 109.6° |
| C2 | C1 | H12C | 108.7° | 109.6° |
| C1 | C6 | C5 | 112.7° | 108.4° |
| C6 | C1 | H11C | 108.7° | 109.6° |
| C6 | C1 | H12C | 108.7° | 109.6° |
| C1 | C6 | H61C | 108.7° | 109.7° |
| C1 | C6 | H62C | 108.6° | 109.6° |
| C6 | C5 | C4 | 109.9° | 110.0° |
| C5 | C6 | H61C | 108.7° | 109.7° |
| C5 | C6 | H62C | 108.7° | 109.7° |
| C6 | C5 | H51C | 109.4° | 109.4° |
| C6 | C5 | H52C | 109.4° | 109.5° |
| C5 | C4 | O35 | 120.7° | 118.2° |
| C4 | C5 | H51C | 109.4° | 109.5° |
| C4 | C5 | H52C | 109.4° | 109.2° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.8° |
| H241 | C24 | H242 | 109.5° | 109.8° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H251 | C25 | H253 | 109.5° | 109.5° |
| H252 | C25 | H253 | 109.5° | 109.4° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H21C | C2 | H22C | 109.5° | 109.1° |
| H11C | C1 | H12C | 109.5° | 109.8° |
| H61C | C6 | H62C | 109.5° | 109.7° |
| H51C | C5 | H52C | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C33 | C29 | H33 | 180.0° | 179.8° |
| C33 | C32 | C31 | H32 | 180.0° | 180.0° |
| C33 | C32 | C31 | CL3 | 178.8° | 180.0° |
| C33 | C32 | C31 | S30 | 0.6° | 0.0° |
| C32 | C33 | C29 | S30 | 0.7° | 0.0° |
| C32 | C33 | C29 | C28 | 178.7° | 180.0° |
| C29 | C33 | C32 | C31 | 0.9° | 0.0° |
| C33 | C29 | S30 | C31 | 0.3° | 0.0° |
| C33 | C29 | S30 | C28 | 178.0° | 180.0° |
| C33 | C29 | C28 | O39 | 172.4° | 0.0° |
| C33 | C29 | C28 | N27 | 8.0° | 180.0° |
| C29 | C33 | C32 | H32 | 179.1° | 180.0° |
| C32 | C31 | CL3 | S30 | 179.3° | 179.9° |
| C32 | C31 | S30 | C29 | 0.2° | 0.0° |
| C31 | C32 | C33 | H33 | 179.0° | 179.8° |
| CL3 | C31 | S30 | C29 | 179.2° | 180.0° |
| CL3 | C31 | C32 | H32 | 1.2° | 0.1° |
| C31 | S30 | C29 | C28 | 178.3° | 180.0° |
| S30 | C31 | C32 | H32 | 179.4° | 180.0° |
| S30 | C29 | C28 | O39 | 10.0° | 180.0° |
| S30 | C29 | C28 | N27 | 169.7° | 0.0° |
| S30 | C29 | C33 | H33 | 179.2° | 179.8° |
| C29 | C28 | O39 | N27 | 179.6° | 179.9° |
| C29 | C28 | N27 | C26 | 179.3° | 180.0° |
| C28 | C29 | C33 | H33 | 1.3° | 0.2° |
| C29 | C28 | N27 | H27 | 0.7° | 0.1° |
| O39 | C28 | N27 | C26 | 1.1° | 0.0° |
| O39 | C28 | N27 | H27 | 178.9° | 180.0° |
| C28 | N27 | C26 | H27 | 180.0° | 180.0° |
| C28 | N27 | C26 | C17 | 92.7° | 180.0° |
| C28 | N27 | C26 | H261 | 147.1° | 60.0° |
| C28 | N27 | C26 | H262 | 27.5° | 60.0° |
| N27 | C26 | C17 | H261 | 120.2° | 120.0° |
| N27 | C26 | C17 | H262 | 120.2° | 120.0° |
| N27 | C26 | C17 | C18 | 50.5° | 175.5° |
| N27 | C26 | C17 | N16 | 68.1° | 55.5° |
| N27 | C26 | H261 | H262 | 119.3° | 120.0° |
| N27 | C26 | C17 | H17 | 170.4° | 64.5° |
| C26 | C17 | C18 | N16 | 119.1° | 120.0° |
| C26 | C17 | C18 | H17 | 119.9° | 120.0° |
| C26 | C17 | N16 | H17 | 121.0° | 120.0° |
| C26 | C17 | C18 | O38 | 98.5° | 98.0° |
| C26 | C17 | C18 | N19 | 81.2° | 82.0° |
| C26 | C17 | N16 | S15 | 140.4° | 143.4° |
| C17 | C26 | N27 | H27 | 87.3° | 0.0° |
| C17 | C26 | H261 | H262 | 119.3° | 120.1° |
| C26 | C17 | N16 | H16 | 99.6° | 36.6° |
| C18 | C17 | N16 | H17 | 120.5° | 120.1° |
| C17 | C18 | O38 | N19 | 179.7° | 180.0° |
| C17 | C18 | N19 | C20 | 1.3° | 175.0° |
| C17 | C18 | N19 | C24 | 179.5° | 5.3° |
| C18 | C17 | N16 | S15 | 101.1° | 96.7° |
| C18 | C17 | C26 | H261 | 170.7° | 64.5° |
| C18 | C17 | C26 | H262 | 69.7° | 55.5° |
| C18 | C17 | N16 | H16 | 18.9° | 83.4° |
| N16 | C17 | C18 | O38 | 20.6° | 22.0° |
| N16 | C17 | C18 | N19 | 159.7° | 158.0° |
| C17 | N16 | S15 | H16 | 120.0° | 179.9° |
| C17 | N16 | S15 | O36 | 178.7° | 179.1° |
| C17 | N16 | S15 | O37 | 59.1° | 48.0° |
| C17 | N16 | S15 | C9 | 60.1° | 65.6° |
| N16 | C17 | C26 | H261 | 52.2° | 175.5° |
| N16 | C17 | C26 | H262 | 171.7° | 64.4° |
| O38 | C18 | N19 | C20 | 178.4° | 4.9° |
| O38 | C18 | N19 | C24 | 0.2° | 174.8° |
| O38 | C18 | C17 | H17 | 141.6° | 142.1° |
| C18 | N19 | C20 | C24 | 178.3° | 179.7° |
| C18 | N19 | C20 | C21 | 138.4° | 128.8° |
| C18 | N19 | C24 | C23 | 138.7° | 128.8° |
| N19 | C18 | C17 | H17 | 38.7° | 38.0° |
| C18 | N19 | C20 | H201 | 18.4° | 9.1° |
| C18 | N19 | C20 | H202 | 101.7° | 111.5° |
| C18 | N19 | C24 | H241 | 101.4° | 111.5° |
| C18 | N19 | C24 | H242 | 18.7° | 9.1° |
| N19 | C20 | C21 | H201 | 119.9° | 119.7° |
| N19 | C20 | C21 | H202 | 119.9° | 119.7° |
| N19 | C20 | C21 | N22 | 53.7° | 53.8° |
| C20 | N19 | C24 | C23 | 43.0° | 51.5° |
| N19 | C20 | H201 | H202 | 120.2° | 120.5° |
| C20 | N19 | C24 | H241 | 76.9° | 68.3° |
| C20 | N19 | C24 | H242 | 163.0° | 171.2° |
| N19 | C20 | C21 | H211 | 66.3° | 66.1° |
| N19 | C20 | C21 | H212 | 173.6° | 173.8° |
| C24 | N19 | C20 | C21 | 43.3° | 51.5° |
| N19 | C24 | C23 | N22 | 53.2° | 54.0° |
| N19 | C24 | C23 | H241 | 119.9° | 119.6° |
| N19 | C24 | C23 | H242 | 119.9° | 119.6° |
| C24 | N19 | C20 | H201 | 163.3° | 171.2° |
| C24 | N19 | C20 | H202 | 76.6° | 68.2° |
| N19 | C24 | H241 | H242 | 120.2° | 120.5° |
| N19 | C24 | C23 | H231 | 66.8° | 66.0° |
| N19 | C24 | C23 | H232 | 173.2° | 173.9° |
| C20 | C21 | N22 | H211 | 119.9° | 120.0° |
| C20 | C21 | N22 | H212 | 120.0° | 120.0° |
| C20 | C21 | N22 | C25 | 173.2° | 172.7° |
| C20 | C21 | N22 | C23 | 68.5° | 63.1° |
| C21 | C20 | H201 | H202 | 120.2° | 120.5° |
| C20 | C21 | H211 | H212 | 120.2° | 120.1° |
| C21 | N22 | C25 | C23 | 117.6° | 124.3° |
| C21 | N22 | C23 | C24 | 68.4° | 63.2° |
| N22 | C21 | C20 | H201 | 173.6° | 173.5° |
| N22 | C21 | C20 | H202 | 66.3° | 65.9° |
| N22 | C21 | H211 | H212 | 120.2° | 120.0° |
| C21 | N22 | C25 | H251 | 180.0° | 60.0° |
| C21 | N22 | C25 | H252 | 60.0° | 180.0° |
| C21 | N22 | C25 | H253 | 60.0° | 60.0° |
| C21 | N22 | C23 | H231 | 51.6° | 56.9° |
| C21 | N22 | C23 | H232 | 171.7° | 176.9° |
| C25 | N22 | C23 | C24 | 173.1° | 172.6° |
| C25 | N22 | C21 | H211 | 66.8° | 67.3° |
| C25 | N22 | C21 | H212 | 53.3° | 52.8° |
| N22 | C25 | H251 | H252 | 120.0° | 120.0° |
| N22 | C25 | H251 | H253 | 120.0° | 120.0° |
| N22 | C25 | H252 | H253 | 120.0° | 120.0° |
| C25 | N22 | C23 | H231 | 66.9° | 67.3° |
| C25 | N22 | C23 | H232 | 53.1° | 52.8° |
| N22 | C23 | C24 | H231 | 120.0° | 120.0° |
| N22 | C23 | C24 | H232 | 120.0° | 119.9° |
| N22 | C23 | C24 | H241 | 66.8° | 65.6° |
| N22 | C23 | C24 | H242 | 173.1° | 173.7° |
| C23 | N22 | C21 | H211 | 51.4° | 56.9° |
| C23 | N22 | C21 | H212 | 171.5° | 176.9° |
| C23 | N22 | C25 | H251 | 62.4° | 175.7° |
| C23 | N22 | C25 | H252 | 57.6° | 55.7° |
| C23 | N22 | C25 | H253 | 177.6° | 64.3° |
| N22 | C23 | H231 | H232 | 120.0° | 120.0° |
| C23 | C24 | H241 | H242 | 120.2° | 120.7° |
| C24 | C23 | H231 | H232 | 120.0° | 120.1° |
| N16 | S15 | O36 | O37 | 119.4° | 123.0° |
| N16 | S15 | O36 | C9 | 121.4° | 114.1° |
| N16 | S15 | O37 | C9 | 120.2° | 114.1° |
| N16 | S15 | C9 | C8 | 79.6° | 65.0° |
| N16 | S15 | C9 | C10 | 101.9° | 115.3° |
| S15 | N16 | C17 | H17 | 19.4° | 23.4° |
| O36 | S15 | O37 | C9 | 120.0° | 122.9° |
| O36 | S15 | C9 | C8 | 41.4° | 48.6° |
| O36 | S15 | C9 | C10 | 137.1° | 131.1° |
| O36 | S15 | N16 | H16 | 61.4° | 1.0° |
| O37 | S15 | C9 | C8 | 161.0° | 178.5° |
| O37 | S15 | C9 | C10 | 17.5° | 1.8° |
| O37 | S15 | N16 | H16 | 179.1° | 132.0° |
| S15 | C9 | C8 | C10 | 178.5° | 179.7° |
| S15 | C9 | C8 | CL4 | 3.2° | 0.0° |
| S15 | C9 | C8 | C7 | 177.3° | 180.0° |
| S15 | C9 | C10 | C11 | 178.4° | 180.0° |
| C9 | S15 | N16 | H16 | 59.8° | 114.5° |
| S15 | C9 | C10 | H10 | 1.5° | 0.0° |
| C9 | C8 | CL4 | C7 | 179.4° | 180.0° |
| C8 | C9 | C10 | C11 | 0.1° | 0.3° |
| C9 | C8 | C7 | C12 | 1.2° | 0.0° |
| C9 | C8 | C7 | N3 | 179.7° | 179.9° |
| C8 | C9 | C10 | H10 | 180.0° | 179.7° |
| C10 | C9 | C8 | CL4 | 178.3° | 179.7° |
| C10 | C9 | C8 | C7 | 1.1° | 0.3° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | F13 | 179.7° | 179.9° |
| C9 | C10 | C11 | C12 | 1.0° | 0.0° |
| CL4 | C8 | C7 | C12 | 178.3° | 180.0° |
| CL4 | C8 | C7 | N3 | 0.3° | 0.1° |
| C8 | C7 | C12 | C11 | 0.1° | 0.3° |
| C8 | C7 | C12 | N3 | 178.6° | 179.9° |
| C8 | C7 | N3 | C2 | 2.6° | 90.0° |
| C8 | C7 | N3 | C4 | 179.6° | 89.8° |
| C8 | C7 | C12 | H12 | 179.9° | 180.0° |
| C10 | C11 | F13 | C12 | 179.3° | 179.9° |
| C10 | C11 | C12 | C7 | 0.9° | 0.3° |
| C10 | C11 | C12 | H12 | 179.1° | 180.0° |
| F13 | C11 | C12 | C7 | 179.7° | 179.8° |
| F13 | C11 | C10 | H10 | 0.3° | 0.1° |
| F13 | C11 | C12 | H12 | 0.3° | 0.1° |
| C11 | C12 | C7 | H12 | 180.0° | 179.7° |
| C11 | C12 | C7 | N3 | 178.8° | 179.8° |
| C12 | C11 | C10 | H10 | 179.0° | 180.0° |
| C12 | C7 | N3 | C2 | 176.0° | 89.9° |
| C12 | C7 | N3 | C4 | 1.8° | 90.3° |
| C7 | N3 | C2 | C4 | 177.9° | 179.8° |
| C7 | N3 | C2 | C1 | 126.5° | 160.9° |
| C7 | N3 | C4 | C5 | 179.3° | 178.0° |
| C7 | N3 | C4 | O35 | 0.2° | 2.2° |
| N3 | C7 | C12 | H12 | 1.2° | 0.1° |
| C7 | N3 | C2 | H21C | 6.8° | 78.7° |
| C7 | N3 | C2 | H22C | 113.7° | 40.6° |
| N3 | C2 | C1 | H21C | 119.8° | 120.4° |
| N3 | C2 | C1 | H22C | 119.8° | 120.3° |
| N3 | C2 | C1 | C6 | 58.3° | 50.8° |
| C2 | N3 | C4 | C5 | 2.7° | 1.7° |
| C2 | N3 | C4 | O35 | 177.8° | 178.1° |
| N3 | C2 | H21C | H22C | 120.7° | 119.4° |
| N3 | C2 | C1 | H11C | 62.2° | 170.5° |
| N3 | C2 | C1 | H12C | 178.7° | 69.0° |
| C4 | N3 | C2 | C1 | 51.4° | 18.8° |
| N3 | C4 | C5 | C6 | 50.5° | 17.2° |
| N3 | C4 | C5 | O35 | 179.5° | 179.8° |
| C4 | N3 | C2 | H21C | 171.1° | 101.6° |
| C4 | N3 | C2 | H22C | 68.4° | 139.2° |
| N3 | C4 | C5 | H51C | 170.6° | 137.4° |
| N3 | C4 | C5 | H52C | 69.6° | 103.0° |
| C2 | C1 | C6 | H11C | 120.5° | 119.7° |
| C2 | C1 | C6 | H12C | 120.4° | 119.8° |
| C2 | C1 | C6 | C5 | 11.4° | 67.6° |
| C1 | C2 | H21C | H22C | 120.7° | 119.5° |
| C2 | C1 | H11C | H12C | 118.6° | 120.5° |
| C2 | C1 | C6 | H61C | 131.9° | 52.2° |
| C2 | C1 | C6 | H62C | 109.1° | 172.7° |
| C1 | C6 | C5 | H61C | 120.5° | 119.8° |
| C1 | C6 | C5 | H62C | 120.5° | 119.7° |
| C1 | C6 | C5 | C4 | 40.4° | 48.8° |
| C6 | C1 | C2 | H21C | 178.0° | 69.6° |
| C6 | C1 | C2 | H22C | 61.5° | 171.1° |
| C6 | C1 | H11C | H12C | 118.7° | 120.4° |
| C1 | C6 | H61C | H62C | 118.5° | 120.5° |
| C1 | C6 | C5 | H51C | 160.4° | 169.0° |
| C1 | C6 | C5 | H52C | 79.7° | 71.2° |
| C6 | C5 | C4 | H51C | 120.1° | 120.2° |
| C6 | C5 | C4 | H52C | 120.1° | 120.1° |
| C6 | C5 | C4 | O35 | 130.0° | 162.6° |
| C5 | C6 | C1 | H11C | 109.0° | 172.7° |
| C5 | C6 | C1 | H12C | 131.9° | 52.2° |
| C5 | C6 | H61C | H62C | 118.5° | 120.5° |
| C6 | C5 | H51C | H52C | 119.8° | 119.8° |
| C4 | C5 | C6 | H61C | 80.1° | 71.0° |
| C4 | C5 | C6 | H62C | 160.9° | 168.4° |
| C4 | C5 | H51C | H52C | 119.8° | 119.6° |
| O35 | C4 | C5 | H51C | 10.0° | 42.4° |
| O35 | C4 | C5 | H52C | 109.9° | 77.2° |
| H33 | C33 | C32 | H32 | 0.9° | 0.2° |
| H27 | N27 | C26 | H261 | 32.9° | 120.0° |
| H27 | N27 | C26 | H262 | 152.5° | 120.0° |
| H261 | C26 | C17 | H17 | 69.3° | 55.5° |
| H262 | C26 | C17 | H17 | 50.2° | 175.6° |
| H17 | C17 | N16 | H16 | 139.4° | 156.5° |
| H201 | C20 | C21 | H211 | 53.7° | 53.6° |
| H201 | C20 | C21 | H212 | 66.5° | 66.5° |
| H202 | C20 | C21 | H211 | 173.8° | 174.2° |
| H202 | C20 | C21 | H212 | 53.7° | 54.1° |
| H241 | C24 | C23 | H231 | 173.2° | 174.4° |
| H241 | C24 | C23 | H232 | 53.2° | 54.3° |
| H242 | C24 | C23 | H231 | 53.1° | 53.7° |
| H242 | C24 | C23 | H232 | 66.9° | 66.4° |
| H251 | C25 | H252 | H253 | 120.0° | 120.0° |
| H21C | C2 | C1 | H11C | 57.6° | 50.1° |
| H21C | C2 | C1 | H12C | 61.5° | 170.7° |
| H22C | C2 | C1 | H11C | 178.0° | 69.2° |
| H22C | C2 | C1 | H12C | 58.9° | 51.3° |
| H11C | C1 | C6 | H61C | 11.5° | 67.5° |
| H11C | C1 | C6 | H62C | 130.5° | 53.0° |
| H12C | C1 | C6 | H61C | 107.6° | 172.0° |
| H12C | C1 | C6 | H62C | 11.4° | 67.5° |
| H61C | C6 | C5 | H51C | 39.9° | 49.3° |
| H61C | C6 | C5 | H52C | 159.8° | 169.0° |
| H62C | C6 | C5 | H51C | 79.1° | 71.3° |
| H62C | C6 | C5 | H52C | 40.8° | 48.4° |
