K7G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C01 | sing | 1.40Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | S13 | sing | 1.77Å | 1.70Å | |
| C14 | C15 | doub | 1.34Å | 1.42Å | |
| S13 | C12 | sing | 1.72Å | 1.68Å | |
| C15 | C17 | sing | 1.48Å | 1.53Å | |
| C15 | N16 | sing | 1.36Å | 1.37Å | |
| C17 | C18 | doub | 1.40Å | 1.38Å | Aromatic |
| C12 | N16 | sing | 1.35Å | 1.32Å | |
| C12 | C09 | doub | 1.41Å | 1.32Å | |
| O23 | C08 | doub | 1.22Å | 1.18Å | |
| C08 | C01 | sing | 1.48Å | 1.53Å | |
| C08 | C09 | sing | 1.41Å | 1.53Å | |
| C01 | C02 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.43Å | 1.53Å | |
| C04 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | N11 | trip | 1.14Å | 1.13Å | |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | CL7 | sing | 1.74Å | 1.79Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| N16 | H5 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C22 | C17 | 119.7° | 119.9° |
| C22 | C21 | C20 | 120.0° | 120.1° |
| C22 | C21 | H10 | 120.0° | 119.9° |
| C21 | C22 | H11 | 120.2° | 120.0° |
| C22 | C17 | C15 | 119.9° | 120.2° |
| C22 | C17 | C18 | 120.1° | 119.7° |
| C17 | C22 | H11 | 120.1° | 120.1° |
| C21 | C20 | C19 | 120.3° | 120.3° |
| C21 | C20 | H9 | 119.8° | 119.8° |
| C20 | C21 | H10 | 120.0° | 120.0° |
| C05 | C06 | C01 | 120.2° | 119.8° |
| C06 | C05 | C04 | 120.0° | 120.2° |
| C06 | C05 | H3 | 120.0° | 119.9° |
| C05 | C06 | H4 | 119.9° | 120.1° |
| C06 | C01 | C08 | 120.4° | 120.2° |
| C06 | C01 | C02 | 119.9° | 119.7° |
| C01 | C06 | H4 | 119.9° | 120.0° |
| C05 | C04 | C03 | 119.7° | 120.3° |
| C05 | C04 | H2 | 120.1° | 119.8° |
| C04 | C05 | H3 | 120.0° | 119.9° |
| S13 | C14 | C15 | 103.4° | 105.4° |
| C14 | S13 | C12 | 98.7° | 95.0° |
| S13 | C14 | H6 | 128.3° | 127.3° |
| C14 | C15 | C17 | 121.6° | 121.9° |
| C14 | C15 | N16 | 114.4° | 116.3° |
| C15 | C14 | H6 | 128.3° | 127.3° |
| S13 | C12 | N16 | 106.5° | 106.1° |
| S13 | C12 | C09 | 127.8° | 126.9° |
| C17 | C15 | N16 | 124.0° | 121.8° |
| C15 | C17 | C18 | 120.0° | 120.1° |
| C15 | N16 | C12 | 116.9° | 117.1° |
| C15 | N16 | H5 | 121.6° | 121.4° |
| C17 | C18 | C19 | 120.5° | 119.8° |
| C17 | C18 | H7 | 119.8° | 120.1° |
| N16 | C12 | C09 | 125.6° | 127.0° |
| C12 | N16 | H5 | 121.6° | 121.5° |
| C12 | C09 | C08 | 122.1° | 120.0° |
| C12 | C09 | C10 | 118.5° | 120.0° |
| O23 | C08 | C01 | 117.9° | 120.0° |
| O23 | C08 | C09 | 121.1° | 120.0° |
| C01 | C08 | C09 | 121.0° | 120.0° |
| C08 | C01 | C02 | 119.7° | 120.1° |
| C08 | C09 | C10 | 118.9° | 120.0° |
| C01 | C02 | C03 | 119.6° | 119.8° |
| C01 | C02 | CL7 | 120.8° | 120.1° |
| C20 | C19 | C18 | 119.4° | 120.1° |
| C20 | C19 | H8 | 120.3° | 119.9° |
| C19 | C20 | H9 | 119.9° | 119.9° |
| C09 | C10 | N11 | 179.6° | 180.0° |
| C04 | C03 | C02 | 120.6° | 120.2° |
| C04 | C03 | H1 | 119.7° | 119.9° |
| C03 | C04 | H2 | 120.1° | 119.9° |
| C19 | C18 | H7 | 119.7° | 120.1° |
| C18 | C19 | H8 | 120.3° | 120.0° |
| C03 | C02 | CL7 | 119.7° | 120.1° |
| C02 | C03 | H1 | 119.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C22 | C17 | H11 | 180.0° | 179.5° |
| C22 | C21 | C20 | H10 | 180.0° | 179.8° |
| C21 | C22 | C17 | C15 | 179.5° | 179.7° |
| C21 | C22 | C17 | C18 | 0.9° | 0.5° |
| C22 | C21 | C20 | C19 | 0.2° | 0.2° |
| C22 | C21 | C20 | H9 | 179.8° | 179.7° |
| C17 | C22 | C21 | C20 | 0.6° | 0.5° |
| C22 | C17 | C15 | C14 | 41.2° | 179.7° |
| C22 | C17 | C15 | C18 | 178.6° | 179.8° |
| C22 | C17 | C15 | N16 | 139.8° | 0.7° |
| C22 | C17 | C18 | C19 | 0.8° | 0.2° |
| C22 | C17 | C18 | H7 | 179.2° | 179.8° |
| C17 | C22 | C21 | H10 | 179.4° | 179.7° |
| C21 | C20 | C19 | H9 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 0.1° | 0.1° |
| C21 | C20 | C19 | H8 | 179.9° | 179.9° |
| C20 | C21 | C22 | H11 | 179.4° | 180.0° |
| C05 | C06 | C01 | H4 | 180.0° | 180.0° |
| C06 | C05 | C04 | H3 | 180.0° | 179.9° |
| C05 | C06 | C01 | C08 | 179.9° | 179.7° |
| C05 | C06 | C01 | C02 | 1.3° | 0.0° |
| C06 | C05 | C04 | C03 | 0.2° | 0.1° |
| C06 | C05 | C04 | H2 | 179.8° | 180.0° |
| C01 | C06 | C05 | C04 | 0.9° | 0.0° |
| C06 | C01 | C08 | O23 | 122.9° | 75.7° |
| C06 | C01 | C08 | C02 | 178.7° | 179.7° |
| C06 | C01 | C08 | C09 | 57.0° | 104.2° |
| C06 | C01 | C02 | C03 | 1.0° | 0.0° |
| C06 | C01 | C02 | CL7 | 179.6° | 180.0° |
| C01 | C06 | C05 | H3 | 179.1° | 179.9° |
| C05 | C04 | C03 | H2 | 180.0° | 179.9° |
| C05 | C04 | C03 | C02 | 0.1° | 0.1° |
| C05 | C04 | C03 | H1 | 179.9° | 180.0° |
| C04 | C05 | C06 | H4 | 179.1° | 180.0° |
| S13 | C14 | C15 | H6 | 180.0° | 179.8° |
| S13 | C14 | C15 | C17 | 179.3° | 180.0° |
| S13 | C14 | C15 | N16 | 0.2° | 0.4° |
| C14 | S13 | C12 | N16 | 0.0° | 0.0° |
| C14 | S13 | C12 | C09 | 179.3° | 179.8° |
| C15 | C14 | S13 | C12 | 0.1° | 0.2° |
| C14 | C15 | C17 | N16 | 179.0° | 179.6° |
| C14 | C15 | C17 | C18 | 137.4° | 0.0° |
| C14 | C15 | N16 | C12 | 0.2° | 0.4° |
| C14 | C15 | N16 | H5 | 179.8° | 179.6° |
| S13 | C12 | N16 | C15 | 0.1° | 0.2° |
| S13 | C12 | N16 | C09 | 179.3° | 179.8° |
| S13 | C12 | C09 | C08 | 4.7° | 0.3° |
| S13 | C12 | C09 | C10 | 166.4° | 179.7° |
| C12 | S13 | C14 | H6 | 179.9° | 180.0° |
| S13 | C12 | N16 | H5 | 179.9° | 179.8° |
| C17 | C15 | N16 | C12 | 179.3° | 180.0° |
| C15 | C17 | C18 | C19 | 179.4° | 180.0° |
| C17 | C15 | C14 | H6 | 0.7° | 0.2° |
| C15 | C17 | C18 | H7 | 0.6° | 0.0° |
| C15 | C17 | C22 | H11 | 0.5° | 0.3° |
| C17 | C15 | N16 | H5 | 0.7° | 0.1° |
| N16 | C15 | C17 | C18 | 41.7° | 179.6° |
| C15 | N16 | C12 | H5 | 180.0° | 180.0° |
| C15 | N16 | C12 | C09 | 179.2° | 180.0° |
| N16 | C15 | C14 | H6 | 179.8° | 179.8° |
| C17 | C18 | C19 | C20 | 0.4° | 0.1° |
| C17 | C18 | C19 | H7 | 180.0° | 180.0° |
| C17 | C18 | C19 | H8 | 179.5° | 180.0° |
| C18 | C17 | C22 | H11 | 179.1° | 180.0° |
| N16 | C12 | C09 | C08 | 176.1° | 180.0° |
| N16 | C12 | C09 | C10 | 12.7° | 0.1° |
| C12 | C09 | C08 | O23 | 9.3° | 5.4° |
| C12 | C09 | C08 | C01 | 170.6° | 174.6° |
| C12 | C09 | C08 | C10 | 171.1° | 179.9° |
| C12 | C09 | C10 | N11 | 170.1° | 109.3° |
| C09 | C12 | N16 | H5 | 0.8° | 0.0° |
| O23 | C08 | C01 | C09 | 179.9° | 180.0° |
| O23 | C08 | C01 | C02 | 55.8° | 103.9° |
| O23 | C08 | C09 | C10 | 179.6° | 174.5° |
| C01 | C08 | C09 | C10 | 0.5° | 5.5° |
| C08 | C01 | C02 | C03 | 179.7° | 179.7° |
| C08 | C01 | C02 | CL7 | 0.9° | 0.3° |
| C08 | C01 | C06 | H4 | 0.0° | 0.3° |
| C09 | C08 | C01 | C02 | 124.3° | 76.1° |
| C08 | C09 | C10 | N11 | 18.5° | 70.8° |
| C01 | C02 | C03 | C04 | 0.3° | 0.0° |
| C01 | C02 | C03 | CL7 | 179.4° | 180.0° |
| C01 | C02 | C03 | H1 | 179.7° | 180.0° |
| C02 | C01 | C06 | H4 | 178.7° | 180.0° |
| C20 | C19 | C18 | H8 | 180.0° | 179.9° |
| C20 | C19 | C18 | H7 | 179.6° | 179.9° |
| C19 | C20 | C21 | H10 | 179.8° | 180.0° |
| C04 | C03 | C02 | H1 | 180.0° | 180.0° |
| C04 | C03 | C02 | CL7 | 179.7° | 179.9° |
| C03 | C04 | C05 | H3 | 179.8° | 180.0° |
| C18 | C19 | C20 | H9 | 179.9° | 180.0° |
| C02 | C03 | C04 | H2 | 179.9° | 180.0° |
| CL7 | C02 | C03 | H1 | 0.3° | 0.0° |
| H1 | C03 | C04 | H2 | 0.1° | 0.0° |
| H2 | C04 | C05 | H3 | 0.2° | 0.1° |
| H3 | C05 | C06 | H4 | 0.9° | 0.1° |
| H7 | C18 | C19 | H8 | 0.5° | 0.0° |
| H8 | C19 | C20 | H9 | 0.1° | 0.1° |
| H9 | C20 | C21 | H10 | 0.2° | 0.1° |
| H10 | C21 | C22 | H11 | 0.6° | 0.2° |
