6N0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.37Å | 1.37Å | Aromatic |
| C8 | C7 | doub | 1.41Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C7 | sing | 1.49Å | 1.44Å | |
| C5 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C12 | sing | 1.39Å | 1.37Å | Aromatic |
| C9 | N16 | sing | 1.40Å | 1.40Å | |
| C4 | S13 | sing | 1.77Å | 1.77Å | |
| C12 | S13 | sing | 1.77Å | 1.77Å | |
| C17 | N19 | sing | 1.35Å | 1.38Å | |
| C17 | N16 | sing | 1.35Å | 1.38Å | |
| C17 | O18 | doub | 1.22Å | 1.22Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C20 | N19 | sing | 1.47Å | 1.45Å | |
| C24 | N19 | sing | 1.47Å | 1.46Å | |
| C22 | F25 | sing | 1.40Å | 1.36Å | |
| C22 | F26 | sing | 1.40Å | 1.37Å | |
| O14 | S13 | doub | 1.42Å | 1.45Å | |
| O15 | S13 | doub | 1.42Å | 1.45Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N16 | H16 | sing | 0.97Å | 1.00Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 121.1° | 120.9° |
| C1 | C2 | C3 | 120.7° | 119.3° |
| C2 | C1 | H1 | 119.5° | 119.6° |
| C1 | C2 | H2 | 119.7° | 120.4° |
| C1 | C6 | C5 | 119.2° | 120.6° |
| C6 | C1 | H1 | 119.5° | 119.5° |
| C1 | C6 | H6 | 120.4° | 119.7° |
| C2 | C3 | C4 | 116.7° | 119.8° |
| C3 | C2 | H2 | 119.7° | 120.3° |
| C2 | C3 | H3 | 121.7° | 120.1° |
| C6 | C5 | C7 | 128.1° | 127.1° |
| C6 | C5 | C4 | 118.3° | 117.2° |
| C5 | C6 | H6 | 120.4° | 119.7° |
| C11 | C10 | C9 | 120.8° | 119.2° |
| C10 | C11 | C12 | 116.6° | 119.9° |
| C11 | C10 | H10 | 119.6° | 120.4° |
| C10 | C11 | H11 | 121.7° | 120.0° |
| C10 | C9 | C8 | 121.0° | 120.7° |
| C10 | C9 | N16 | 118.0° | 119.6° |
| C9 | C10 | H10 | 119.6° | 120.4° |
| C3 | C4 | C5 | 124.1° | 122.2° |
| C3 | C4 | S13 | 125.0° | 133.0° |
| C4 | C3 | H3 | 121.6° | 120.1° |
| C11 | C12 | C7 | 124.3° | 122.3° |
| C11 | C12 | S13 | 124.6° | 132.9° |
| C12 | C11 | H11 | 121.7° | 120.1° |
| C7 | C8 | C9 | 118.8° | 120.6° |
| C8 | C7 | C5 | 128.5° | 127.1° |
| C8 | C7 | C12 | 118.5° | 117.2° |
| C7 | C8 | H8 | 120.6° | 119.7° |
| C8 | C9 | N16 | 120.9° | 119.6° |
| C9 | C8 | H8 | 120.6° | 119.7° |
| C7 | C5 | C4 | 113.6° | 115.8° |
| C5 | C7 | C12 | 113.0° | 115.7° |
| C5 | C4 | S13 | 110.9° | 104.8° |
| C7 | C12 | S13 | 111.2° | 104.8° |
| C9 | N16 | C17 | 121.2° | 120.0° |
| C9 | N16 | H16 | 119.4° | 120.0° |
| C4 | S13 | C12 | 91.4° | 99.0° |
| C4 | S13 | O14 | 111.1° | 107.6° |
| C4 | S13 | O15 | 108.7° | 107.7° |
| C12 | S13 | O14 | 107.0° | 107.7° |
| C12 | S13 | O15 | 109.1° | 107.6° |
| N19 | C17 | N16 | 116.1° | 120.1° |
| N19 | C17 | O18 | 122.0° | 120.0° |
| C17 | N19 | C20 | 123.0° | 120.7° |
| C17 | N19 | C24 | 119.7° | 120.6° |
| N16 | C17 | O18 | 121.9° | 120.0° |
| C17 | N16 | H16 | 119.4° | 119.9° |
| C20 | C21 | C22 | 110.9° | 109.2° |
| C21 | C20 | N19 | 109.8° | 108.8° |
| C20 | C21 | H211 | 109.1° | 109.5° |
| C20 | C21 | H212 | 109.1° | 109.5° |
| C21 | C20 | H201 | 109.4° | 109.6° |
| C21 | C20 | H202 | 109.4° | 109.6° |
| C21 | C22 | C23 | 112.3° | 109.6° |
| C21 | C22 | F25 | 108.4° | 109.4° |
| C21 | C22 | F26 | 109.9° | 109.5° |
| C22 | C21 | H211 | 109.1° | 109.5° |
| C22 | C21 | H212 | 109.1° | 109.5° |
| C24 | C23 | C22 | 112.2° | 109.3° |
| C23 | C24 | N19 | 111.6° | 108.8° |
| C24 | C23 | H231 | 108.8° | 109.5° |
| C24 | C23 | H232 | 108.8° | 109.5° |
| C23 | C24 | H241 | 108.9° | 109.6° |
| C23 | C24 | H242 | 108.9° | 109.5° |
| C23 | C22 | F25 | 110.2° | 109.4° |
| C23 | C22 | F26 | 109.0° | 109.4° |
| C22 | C23 | H231 | 108.8° | 109.5° |
| C22 | C23 | H232 | 108.8° | 109.5° |
| C20 | N19 | C24 | 116.8° | 118.8° |
| N19 | C20 | H201 | 109.4° | 109.6° |
| N19 | C20 | H202 | 109.4° | 109.6° |
| N19 | C24 | H241 | 108.9° | 109.6° |
| N19 | C24 | H242 | 108.9° | 109.6° |
| F25 | C22 | F26 | 106.8° | 109.5° |
| O14 | S13 | O15 | 124.4° | 124.3° |
| H211 | C21 | H212 | 109.5° | 109.6° |
| H201 | C20 | H202 | 109.5° | 109.7° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.6° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C2 | C1 | C6 | C5 | 0.2° | 0.0° |
| C1 | C2 | C3 | C4 | 0.5° | 0.0° |
| C2 | C1 | C6 | H6 | 179.8° | 180.0° |
| C1 | C2 | C3 | H3 | 179.5° | 180.0° |
| C6 | C1 | C2 | C3 | 0.3° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | C7 | 178.3° | 180.0° |
| C1 | C6 | C5 | C4 | 0.4° | 0.1° |
| C6 | C1 | C2 | H2 | 179.7° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.0° |
| C2 | C3 | C4 | S13 | 178.9° | 179.9° |
| C3 | C2 | C1 | H1 | 179.7° | 179.7° |
| C6 | C5 | C4 | C3 | 0.2° | 0.1° |
| C6 | C5 | C7 | C8 | 1.3° | 0.1° |
| C6 | C5 | C7 | C4 | 178.0° | 179.9° |
| C6 | C5 | C7 | C12 | 177.2° | 180.0° |
| C6 | C5 | C4 | S13 | 178.6° | 180.0° |
| C5 | C6 | C1 | H1 | 179.8° | 179.7° |
| C11 | C10 | C9 | H10 | 180.0° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 0.2° | 0.1° |
| C10 | C11 | C12 | C7 | 0.3° | 0.0° |
| C11 | C10 | C9 | N16 | 179.4° | 180.0° |
| C10 | C11 | C12 | S13 | 179.1° | 179.9° |
| C9 | C10 | C11 | C12 | 0.0° | 0.0° |
| C10 | C9 | C8 | C7 | 0.6° | 0.1° |
| C10 | C9 | C8 | N16 | 179.2° | 179.9° |
| C10 | C9 | N16 | C17 | 127.2° | 22.6° |
| C9 | C10 | C11 | H11 | 180.0° | 179.9° |
| C10 | C9 | C8 | H8 | 179.4° | 180.0° |
| C10 | C9 | N16 | H16 | 52.8° | 157.3° |
| C3 | C4 | C5 | C7 | 178.4° | 180.0° |
| C3 | C4 | C5 | S13 | 178.8° | 179.9° |
| C3 | C4 | S13 | C12 | 177.7° | 179.9° |
| C3 | C4 | S13 | O14 | 73.5° | 68.1° |
| C3 | C4 | S13 | O15 | 66.9° | 68.1° |
| C4 | C3 | C2 | H2 | 179.5° | 180.0° |
| C11 | C12 | C7 | C8 | 0.7° | 0.0° |
| C11 | C12 | C7 | C5 | 179.4° | 180.0° |
| C11 | C12 | C7 | S13 | 179.0° | 180.0° |
| C11 | C12 | S13 | C4 | 179.4° | 180.0° |
| C11 | C12 | S13 | O14 | 68.0° | 68.1° |
| C11 | C12 | S13 | O15 | 69.0° | 68.1° |
| C12 | C11 | C10 | H10 | 180.0° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C8 | C7 | C5 | C12 | 178.5° | 179.9° |
| C8 | C7 | C5 | C4 | 179.3° | 180.0° |
| C7 | C8 | C9 | N16 | 179.8° | 180.0° |
| C8 | C7 | C12 | S13 | 179.7° | 180.0° |
| C9 | C8 | C7 | C5 | 179.3° | 180.0° |
| C9 | C8 | C7 | C12 | 0.9° | 0.1° |
| C8 | C9 | N16 | C17 | 53.6° | 157.4° |
| C8 | C9 | C10 | H10 | 179.8° | 180.0° |
| C8 | C9 | N16 | H16 | 126.4° | 22.6° |
| C7 | C5 | C4 | S13 | 0.4° | 0.1° |
| C5 | C7 | C12 | S13 | 1.6° | 0.1° |
| C7 | C5 | C6 | H6 | 1.7° | 0.0° |
| C5 | C7 | C8 | H8 | 0.7° | 0.1° |
| C4 | C5 | C7 | C12 | 0.8° | 0.1° |
| C5 | C4 | S13 | C12 | 1.1° | 0.0° |
| C5 | C4 | S13 | O14 | 107.7° | 111.9° |
| C5 | C4 | S13 | O15 | 111.9° | 111.8° |
| C4 | C5 | C6 | H6 | 179.6° | 179.9° |
| C5 | C4 | C3 | H3 | 179.7° | 179.9° |
| C7 | C12 | S13 | C4 | 1.6° | 0.0° |
| C7 | C12 | S13 | O14 | 111.0° | 111.8° |
| C7 | C12 | S13 | O15 | 112.0° | 111.9° |
| C7 | C12 | C11 | H11 | 179.7° | 180.0° |
| C12 | C7 | C8 | H8 | 179.1° | 180.0° |
| C9 | N16 | C17 | N19 | 173.0° | 170.9° |
| C9 | N16 | C17 | H16 | 180.0° | 180.0° |
| C9 | N16 | C17 | O18 | 7.3° | 9.1° |
| N16 | C9 | C10 | H10 | 0.6° | 0.0° |
| N16 | C9 | C8 | H8 | 0.2° | 0.0° |
| C4 | S13 | C12 | O14 | 112.5° | 111.9° |
| C4 | S13 | C12 | O15 | 110.4° | 111.9° |
| C4 | S13 | O14 | O15 | 132.9° | 127.1° |
| S13 | C4 | C3 | H3 | 1.1° | 0.0° |
| C12 | S13 | O14 | O15 | 128.7° | 127.1° |
| S13 | C12 | C11 | H11 | 0.8° | 0.0° |
| N19 | C17 | N16 | O18 | 179.8° | 180.0° |
| C17 | N19 | C20 | C21 | 116.0° | 126.4° |
| C17 | N19 | C24 | C23 | 119.9° | 126.4° |
| C17 | N19 | C20 | C24 | 172.2° | 180.0° |
| N19 | C17 | N16 | H16 | 7.0° | 9.1° |
| C17 | N19 | C20 | H201 | 124.0° | 113.8° |
| C17 | N19 | C20 | H202 | 4.0° | 6.6° |
| C17 | N19 | C24 | H241 | 0.4° | 6.6° |
| C17 | N19 | C24 | H242 | 119.8° | 113.9° |
| N16 | C17 | N19 | C20 | 1.8° | 171.9° |
| N16 | C17 | N19 | C24 | 170.2° | 8.2° |
| O18 | C17 | N19 | C20 | 178.5° | 8.1° |
| O18 | C17 | N19 | C24 | 9.6° | 171.9° |
| O18 | C17 | N16 | H16 | 172.7° | 170.9° |
| C20 | C21 | C22 | H211 | 120.2° | 119.9° |
| C20 | C21 | C22 | H212 | 120.2° | 119.9° |
| C20 | C21 | C22 | C23 | 53.4° | 61.4° |
| C21 | C20 | N19 | H201 | 120.0° | 119.8° |
| C21 | C20 | N19 | H202 | 120.0° | 119.8° |
| C21 | C20 | N19 | C24 | 56.1° | 53.6° |
| C20 | C21 | C22 | F25 | 175.4° | 178.6° |
| C20 | C21 | C22 | F26 | 68.1° | 58.7° |
| C20 | C21 | H211 | H212 | 119.4° | 120.1° |
| C21 | C20 | H201 | H202 | 119.8° | 120.3° |
| C21 | C22 | C23 | C24 | 49.6° | 61.4° |
| C21 | C22 | C23 | F25 | 121.0° | 120.0° |
| C21 | C22 | C23 | F26 | 122.1° | 120.1° |
| C22 | C21 | C20 | N19 | 54.8° | 54.7° |
| C21 | C22 | F25 | F26 | 118.4° | 120.0° |
| C22 | C21 | H211 | H212 | 119.3° | 120.1° |
| C22 | C21 | C20 | H201 | 65.2° | 65.2° |
| C22 | C21 | C20 | H202 | 174.9° | 174.5° |
| C21 | C22 | C23 | H231 | 170.0° | 178.6° |
| C21 | C22 | C23 | H232 | 70.8° | 58.5° |
| C24 | C23 | C22 | H231 | 120.4° | 120.0° |
| C24 | C23 | C22 | H232 | 120.4° | 119.9° |
| C23 | C24 | N19 | C20 | 52.5° | 53.6° |
| C23 | C24 | N19 | H241 | 120.3° | 119.8° |
| C23 | C24 | N19 | H242 | 120.3° | 119.7° |
| C24 | C23 | C22 | F25 | 170.6° | 178.6° |
| C24 | C23 | C22 | F26 | 72.5° | 58.7° |
| C24 | C23 | H231 | H232 | 118.8° | 120.1° |
| C23 | C24 | H241 | H242 | 119.0° | 120.3° |
| C22 | C23 | C24 | N19 | 47.2° | 54.6° |
| C23 | C22 | F25 | F26 | 118.3° | 119.9° |
| C23 | C22 | C21 | H211 | 66.8° | 58.5° |
| C23 | C22 | C21 | H212 | 173.6° | 178.7° |
| C22 | C23 | H231 | H232 | 118.8° | 120.1° |
| C22 | C23 | C24 | H241 | 167.5° | 174.4° |
| C22 | C23 | C24 | H242 | 73.1° | 65.2° |
| N19 | C20 | C21 | H211 | 65.4° | 65.3° |
| N19 | C20 | C21 | H212 | 175.0° | 174.6° |
| N19 | C20 | H201 | H202 | 119.9° | 120.4° |
| C20 | N19 | C24 | H241 | 172.8° | 173.3° |
| C20 | N19 | C24 | H242 | 67.8° | 66.1° |
| C24 | N19 | C20 | H201 | 63.9° | 66.2° |
| C24 | N19 | C20 | H202 | 176.2° | 173.4° |
| N19 | C24 | C23 | H231 | 167.6° | 174.6° |
| N19 | C24 | C23 | H232 | 73.2° | 65.3° |
| N19 | C24 | H241 | H242 | 119.0° | 120.4° |
| F25 | C22 | C21 | H211 | 55.2° | 61.5° |
| F25 | C22 | C21 | H212 | 64.4° | 58.7° |
| F25 | C22 | C23 | H231 | 69.0° | 58.6° |
| F25 | C22 | C23 | H232 | 50.2° | 61.4° |
| F26 | C22 | C21 | H211 | 171.6° | 178.6° |
| F26 | C22 | C21 | H212 | 52.1° | 61.2° |
| F26 | C22 | C23 | H231 | 47.9° | 61.3° |
| F26 | C22 | C23 | H232 | 167.1° | 178.6° |
| H1 | C1 | C2 | H2 | 0.3° | 0.4° |
| H1 | C1 | C6 | H6 | 0.2° | 0.4° |
| H2 | C2 | C3 | H3 | 0.5° | 0.1° |
| H10 | C10 | C11 | H11 | 0.0° | 0.0° |
| H211 | C21 | C20 | H201 | 174.6° | 174.9° |
| H211 | C21 | C20 | H202 | 54.7° | 54.5° |
| H212 | C21 | C20 | H201 | 55.0° | 54.7° |
| H212 | C21 | C20 | H202 | 64.9° | 65.6° |
| H231 | C23 | C24 | H241 | 72.1° | 65.6° |
| H231 | C23 | C24 | H242 | 47.3° | 54.8° |
| H232 | C23 | C24 | H241 | 47.1° | 54.5° |
| H232 | C23 | C24 | H242 | 166.5° | 174.9° |
