K8M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL08 | C07 | sing | 1.74Å | 1.78Å | |
| C07 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | N03 | sing | 1.40Å | 1.46Å | |
| N03 | C02 | sing | 1.35Å | 1.47Å | |
| C02 | O01 | doub | 1.21Å | 1.18Å | |
| C02 | C11 | sing | 1.51Å | 1.56Å | |
| O15 | C14 | doub | 1.22Å | 1.19Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | N13 | sing | 1.47Å | 1.49Å | |
| C11 | C33 | sing | 1.53Å | 1.49Å | |
| C14 | N13 | sing | 1.35Å | 1.45Å | |
| C14 | C16 | sing | 1.48Å | 1.53Å | |
| N13 | C29 | sing | 1.47Å | 1.50Å | |
| C16 | C17 | doub | 1.40Å | 1.38Å | Aromatic |
| C16 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C33 | C30 | sing | 1.53Å | 1.49Å | |
| C29 | C30 | sing | 1.53Å | 1.55Å | |
| C18 | F19 | sing | 1.35Å | 1.36Å | |
| C18 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.48Å | 1.54Å | |
| C30 | F31 | sing | 1.40Å | 1.38Å | |
| C30 | F32 | sing | 1.40Å | 1.36Å | |
| C23 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C27 | sing | 1.40Å | 1.39Å | Aromatic |
| C24 | N25 | doub | 1.32Å | 1.32Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| N25 | C26 | sing | 1.32Å | 1.32Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.08Å | 1.08Å | |
| C28 | H6 | sing | 1.08Å | 1.08Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C06 | H8 | sing | 1.08Å | 1.08Å | |
| C09 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C27 | H14 | sing | 1.08Å | 1.08Å | |
| C29 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C33 | H17 | sing | 1.09Å | 1.10Å | |
| C33 | H18 | sing | 1.09Å | 1.10Å | |
| N03 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL08 | C07 | C06 | 120.9° | 120.0° |
| CL08 | C07 | C09 | 118.2° | 119.9° |
| C06 | C07 | C09 | 120.8° | 120.1° |
| C07 | C06 | C05 | 119.6° | 120.0° |
| C07 | C06 | H8 | 120.2° | 119.9° |
| C07 | C09 | C10 | 118.9° | 120.1° |
| C07 | C09 | H9 | 120.6° | 120.0° |
| C06 | C05 | C04 | 120.1° | 120.0° |
| C06 | C05 | H7 | 120.0° | 120.0° |
| C05 | C06 | H8 | 120.2° | 120.0° |
| C09 | C10 | C04 | 121.6° | 119.9° |
| C09 | C10 | H1 | 119.2° | 120.0° |
| C10 | C09 | H9 | 120.5° | 119.9° |
| C05 | C04 | C10 | 118.9° | 119.9° |
| C05 | C04 | N03 | 120.9° | 120.1° |
| C04 | C05 | H7 | 120.0° | 120.1° |
| C10 | C04 | N03 | 119.9° | 120.0° |
| C04 | C10 | H1 | 119.2° | 120.0° |
| C04 | N03 | C02 | 125.4° | 120.0° |
| C04 | N03 | H19 | 117.3° | 120.1° |
| N03 | C02 | O01 | 122.7° | 120.0° |
| N03 | C02 | C11 | 119.4° | 120.0° |
| C02 | N03 | H19 | 117.3° | 119.9° |
| O01 | C02 | C11 | 117.9° | 120.0° |
| C02 | C11 | C12 | 106.5° | 109.5° |
| C02 | C11 | C33 | 117.5° | 109.5° |
| C02 | C11 | H10 | 106.2° | 109.5° |
| O15 | C14 | N13 | 115.1° | 120.0° |
| O15 | C14 | C16 | 119.7° | 120.0° |
| C11 | C12 | N13 | 112.8° | 108.8° |
| C12 | C11 | C33 | 112.6° | 109.3° |
| C12 | C11 | H10 | 106.5° | 109.6° |
| C11 | C12 | H11 | 108.6° | 109.6° |
| C11 | C12 | H12 | 108.6° | 109.6° |
| C12 | N13 | C14 | 117.4° | 120.7° |
| C12 | N13 | C29 | 112.0° | 118.8° |
| N13 | C12 | H11 | 108.6° | 109.6° |
| N13 | C12 | H12 | 108.6° | 109.6° |
| C11 | C33 | C30 | 110.2° | 109.5° |
| C33 | C11 | H10 | 107.0° | 109.5° |
| C11 | C33 | H17 | 109.3° | 109.5° |
| C11 | C33 | H18 | 109.3° | 109.5° |
| N13 | C14 | C16 | 125.2° | 120.0° |
| C14 | N13 | C29 | 130.4° | 120.6° |
| C14 | C16 | C17 | 116.9° | 120.1° |
| C14 | C16 | C28 | 122.4° | 120.1° |
| N13 | C29 | C30 | 104.3° | 108.8° |
| N13 | C29 | H15 | 110.7° | 109.6° |
| N13 | C29 | H16 | 110.7° | 109.8° |
| C17 | C16 | C28 | 120.6° | 119.9° |
| C16 | C17 | C18 | 119.5° | 120.1° |
| C16 | C17 | H2 | 120.3° | 120.0° |
| C16 | C28 | C21 | 120.2° | 119.8° |
| C16 | C28 | H6 | 119.9° | 120.1° |
| C17 | C18 | F19 | 117.9° | 119.9° |
| C17 | C18 | C20 | 120.6° | 120.2° |
| C18 | C17 | H2 | 120.2° | 120.0° |
| C28 | C21 | C20 | 119.0° | 119.9° |
| C28 | C21 | C22 | 120.2° | 120.0° |
| C21 | C28 | H6 | 119.9° | 120.1° |
| C33 | C30 | C29 | 113.2° | 109.3° |
| C33 | C30 | F31 | 109.5° | 109.5° |
| C33 | C30 | F32 | 107.9° | 109.5° |
| C30 | C33 | H17 | 109.3° | 109.4° |
| C30 | C33 | H18 | 109.3° | 109.5° |
| C29 | C30 | F31 | 108.3° | 109.5° |
| C29 | C30 | F32 | 108.6° | 109.5° |
| C30 | C29 | H15 | 110.7° | 109.6° |
| C30 | C29 | H16 | 110.8° | 109.5° |
| F19 | C18 | C20 | 121.5° | 119.9° |
| C18 | C20 | C21 | 120.1° | 120.1° |
| C18 | C20 | H3 | 119.9° | 119.9° |
| C20 | C21 | C22 | 120.8° | 120.0° |
| C21 | C20 | H3 | 120.0° | 120.0° |
| C21 | C22 | C23 | 120.9° | 120.9° |
| C21 | C22 | C27 | 121.3° | 120.9° |
| F31 | C30 | F32 | 109.3° | 109.6° |
| C22 | C23 | C24 | 119.8° | 119.0° |
| C23 | C22 | C27 | 117.8° | 118.2° |
| C22 | C23 | H13 | 120.1° | 120.5° |
| C23 | C24 | N25 | 120.4° | 120.9° |
| C23 | C24 | H4 | 119.8° | 119.6° |
| C24 | C23 | H13 | 120.1° | 120.5° |
| C22 | C27 | C26 | 119.6° | 119.0° |
| C22 | C27 | H14 | 120.2° | 120.5° |
| C24 | N25 | C26 | 121.9° | 122.0° |
| N25 | C24 | H4 | 119.8° | 119.5° |
| C27 | C26 | N25 | 120.5° | 120.9° |
| C27 | C26 | H5 | 119.7° | 119.6° |
| C26 | C27 | H14 | 120.2° | 120.5° |
| N25 | C26 | H5 | 119.8° | 119.6° |
| H11 | C12 | H12 | 109.5° | 109.7° |
| H15 | C29 | H16 | 109.5° | 109.5° |
| H17 | C33 | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL08 | C07 | C06 | C09 | 179.7° | 179.7° |
| CL08 | C07 | C06 | C05 | 179.4° | 180.0° |
| CL08 | C07 | C09 | C10 | 179.9° | 179.7° |
| CL08 | C07 | C06 | H8 | 0.6° | 0.0° |
| CL08 | C07 | C09 | H9 | 0.1° | 0.3° |
| C07 | C06 | C05 | H8 | 180.0° | 180.0° |
| C06 | C07 | C09 | C10 | 0.4° | 0.6° |
| C07 | C06 | C05 | C04 | 0.4° | 0.0° |
| C07 | C06 | C05 | H7 | 179.6° | 180.0° |
| C06 | C07 | C09 | H9 | 179.6° | 180.0° |
| C09 | C07 | C06 | C05 | 0.9° | 0.3° |
| C07 | C09 | C10 | H9 | 180.0° | 179.5° |
| C07 | C09 | C10 | C04 | 1.4° | 0.6° |
| C07 | C09 | C10 | H1 | 178.6° | 179.8° |
| C09 | C07 | C06 | H8 | 179.1° | 179.7° |
| C06 | C05 | C04 | H7 | 180.0° | 180.0° |
| C06 | C05 | C04 | C10 | 2.2° | 0.0° |
| C06 | C05 | C04 | N03 | 176.6° | 180.0° |
| C09 | C10 | C04 | C05 | 2.7° | 0.3° |
| C09 | C10 | C04 | H1 | 180.0° | 179.6° |
| C09 | C10 | C04 | N03 | 177.2° | 179.7° |
| C05 | C04 | C10 | N03 | 174.5° | 179.9° |
| C05 | C04 | N03 | C02 | 164.4° | 28.2° |
| C05 | C04 | C10 | H1 | 177.3° | 179.9° |
| C04 | C05 | C06 | H8 | 179.6° | 180.0° |
| C05 | C04 | N03 | H19 | 15.6° | 151.8° |
| C10 | C04 | N03 | C02 | 21.2° | 151.9° |
| C10 | C04 | C05 | H7 | 177.8° | 180.0° |
| C04 | C10 | C09 | H9 | 178.6° | 180.0° |
| C10 | C04 | N03 | H19 | 158.8° | 28.2° |
| C04 | N03 | C02 | H19 | 180.0° | 180.0° |
| C04 | N03 | C02 | O01 | 2.6° | 5.4° |
| C04 | N03 | C02 | C11 | 174.0° | 174.7° |
| N03 | C04 | C10 | H1 | 2.7° | 0.1° |
| N03 | C04 | C05 | H7 | 3.3° | 0.0° |
| N03 | C02 | O01 | C11 | 176.7° | 179.9° |
| N03 | C02 | C11 | C12 | 6.3° | 60.2° |
| N03 | C02 | C11 | C33 | 120.9° | 180.0° |
| N03 | C02 | C11 | H10 | 119.5° | 60.0° |
| O01 | C02 | C11 | C12 | 170.5° | 119.8° |
| O01 | C02 | C11 | C33 | 62.3° | 0.0° |
| O01 | C02 | C11 | H10 | 57.3° | 120.0° |
| O01 | C02 | N03 | H19 | 177.4° | 174.7° |
| C02 | C11 | C12 | C33 | 130.1° | 119.9° |
| C02 | C11 | C12 | H10 | 113.0° | 120.1° |
| C02 | C11 | C12 | N13 | 175.5° | 174.6° |
| C02 | C11 | C33 | H10 | 119.1° | 120.0° |
| C02 | C11 | C33 | C30 | 166.6° | 178.7° |
| C02 | C11 | C12 | H11 | 55.0° | 65.7° |
| C02 | C11 | C12 | H12 | 64.0° | 54.8° |
| C02 | C11 | C33 | H17 | 46.5° | 61.3° |
| C02 | C11 | C33 | H18 | 73.3° | 58.6° |
| C11 | C02 | N03 | H19 | 6.0° | 5.3° |
| O15 | C14 | N13 | C12 | 1.5° | 4.6° |
| O15 | C14 | N13 | C16 | 178.6° | 180.0° |
| O15 | C14 | N13 | C29 | 176.6° | 175.4° |
| O15 | C14 | C16 | C17 | 32.4° | 133.7° |
| O15 | C14 | C16 | C28 | 144.7° | 46.3° |
| C11 | C12 | N13 | H11 | 120.5° | 119.7° |
| C11 | C12 | N13 | H12 | 120.5° | 119.8° |
| C12 | C11 | C33 | H10 | 116.6° | 120.0° |
| C11 | C12 | N13 | C14 | 177.4° | 126.4° |
| C11 | C12 | N13 | C29 | 1.5° | 53.7° |
| C12 | C11 | C33 | C30 | 42.3° | 61.4° |
| C11 | C12 | H11 | H12 | 118.5° | 120.4° |
| C12 | C11 | C33 | H17 | 77.8° | 58.6° |
| C12 | C11 | C33 | H18 | 162.4° | 178.6° |
| N13 | C12 | C11 | C33 | 54.4° | 54.7° |
| C12 | N13 | C14 | C29 | 175.0° | 180.0° |
| C12 | N13 | C14 | C16 | 179.9° | 175.4° |
| C12 | N13 | C29 | C30 | 54.4° | 53.6° |
| N13 | C12 | C11 | H10 | 62.5° | 65.3° |
| N13 | C12 | H11 | H12 | 118.5° | 120.4° |
| C12 | N13 | C29 | H15 | 64.7° | 66.2° |
| C12 | N13 | C29 | H16 | 173.6° | 173.5° |
| C11 | C33 | C30 | H17 | 120.1° | 120.0° |
| C11 | C33 | C30 | H18 | 120.1° | 120.0° |
| C11 | C33 | C30 | C29 | 17.3° | 61.3° |
| C11 | C33 | C30 | F31 | 103.7° | 178.7° |
| C11 | C33 | C30 | F32 | 137.5° | 58.6° |
| C33 | C11 | C12 | H11 | 174.8° | 174.4° |
| C33 | C11 | C12 | H12 | 66.1° | 65.1° |
| C11 | C33 | H17 | H18 | 119.7° | 120.0° |
| N13 | C14 | C16 | C17 | 149.1° | 46.2° |
| N13 | C14 | C16 | C28 | 33.8° | 133.7° |
| C14 | N13 | C29 | C30 | 120.8° | 126.4° |
| C14 | N13 | C12 | H11 | 62.1° | 6.6° |
| C14 | N13 | C12 | H12 | 56.9° | 113.8° |
| C14 | N13 | C29 | H15 | 120.0° | 113.8° |
| C14 | N13 | C29 | H16 | 1.6° | 6.5° |
| C16 | C14 | N13 | C29 | 4.9° | 4.6° |
| C14 | C16 | C17 | C28 | 177.1° | 179.9° |
| C14 | C16 | C17 | C18 | 179.0° | 179.9° |
| C14 | C16 | C28 | C21 | 179.0° | 179.5° |
| C14 | C16 | C17 | H2 | 1.0° | 0.3° |
| C14 | C16 | C28 | H6 | 1.0° | 0.1° |
| N13 | C29 | C30 | C33 | 67.3° | 54.6° |
| N13 | C29 | C30 | H15 | 119.2° | 119.8° |
| N13 | C29 | C30 | H16 | 119.2° | 120.0° |
| N13 | C29 | C30 | F31 | 54.4° | 174.5° |
| N13 | C29 | C30 | F32 | 172.9° | 65.3° |
| C29 | N13 | C12 | H11 | 122.0° | 173.4° |
| C29 | N13 | C12 | H12 | 119.0° | 66.2° |
| N13 | C29 | H15 | H16 | 122.4° | 120.5° |
| C16 | C17 | C18 | H2 | 180.0° | 179.8° |
| C17 | C16 | C28 | C21 | 2.1° | 0.4° |
| C16 | C17 | C18 | F19 | 179.3° | 179.7° |
| C16 | C17 | C18 | C20 | 1.0° | 0.2° |
| C17 | C16 | C28 | H6 | 177.9° | 179.8° |
| C28 | C16 | C17 | C18 | 1.9° | 0.0° |
| C16 | C28 | C21 | H6 | 180.0° | 179.3° |
| C16 | C28 | C21 | C20 | 1.2° | 0.7° |
| C16 | C28 | C21 | C22 | 179.4° | 179.8° |
| C28 | C16 | C17 | H2 | 178.1° | 179.8° |
| C17 | C18 | F19 | C20 | 179.8° | 179.9° |
| C17 | C18 | C20 | C21 | 0.1° | 0.0° |
| C17 | C18 | C20 | H3 | 179.9° | 180.0° |
| C28 | C21 | C20 | C18 | 0.2° | 0.5° |
| C28 | C21 | C20 | C22 | 179.4° | 179.5° |
| C28 | C21 | C22 | C23 | 6.1° | 0.3° |
| C28 | C21 | C22 | C27 | 174.3° | 179.5° |
| C28 | C21 | C20 | H3 | 179.8° | 179.5° |
| C33 | C30 | C29 | F31 | 121.7° | 119.9° |
| C33 | C30 | C29 | F32 | 119.8° | 119.9° |
| C33 | C30 | F31 | F32 | 118.0° | 120.1° |
| C30 | C33 | C11 | H10 | 74.3° | 58.6° |
| C33 | C30 | C29 | H15 | 51.9° | 65.2° |
| C33 | C30 | C29 | H16 | 173.5° | 174.6° |
| C30 | C33 | H17 | H18 | 119.6° | 120.0° |
| C29 | C30 | F31 | F32 | 118.1° | 120.1° |
| C30 | C29 | H15 | H16 | 122.4° | 120.2° |
| C29 | C30 | C33 | H17 | 137.4° | 58.7° |
| C29 | C30 | C33 | H18 | 102.8° | 178.6° |
| F19 | C18 | C20 | C21 | 179.9° | 180.0° |
| F19 | C18 | C17 | H2 | 0.7° | 0.1° |
| F19 | C18 | C20 | H3 | 0.1° | 0.0° |
| C18 | C20 | C21 | H3 | 180.0° | 180.0° |
| C18 | C20 | C21 | C22 | 179.7° | 180.0° |
| C20 | C18 | C17 | H2 | 179.1° | 180.0° |
| C20 | C21 | C22 | C23 | 173.3° | 179.8° |
| C20 | C21 | C22 | C27 | 6.3° | 0.0° |
| C20 | C21 | C28 | H6 | 178.8° | 179.9° |
| C21 | C22 | C23 | C27 | 179.6° | 179.8° |
| C21 | C22 | C23 | C24 | 179.8° | 180.0° |
| C21 | C22 | C27 | C26 | 179.8° | 180.0° |
| C22 | C21 | C20 | H3 | 0.3° | 0.0° |
| C22 | C21 | C28 | H6 | 0.7° | 0.4° |
| C21 | C22 | C23 | H13 | 0.2° | 0.0° |
| C21 | C22 | C27 | H14 | 0.2° | 0.1° |
| F31 | C30 | C29 | H15 | 173.5° | 54.7° |
| F31 | C30 | C29 | H16 | 64.8° | 65.5° |
| F31 | C30 | C33 | H17 | 16.4° | 61.3° |
| F31 | C30 | C33 | H18 | 136.2° | 58.7° |
| F32 | C30 | C29 | H15 | 67.9° | 174.9° |
| F32 | C30 | C29 | H16 | 53.7° | 54.7° |
| F32 | C30 | C33 | H17 | 102.4° | 178.6° |
| F32 | C30 | C33 | H18 | 17.3° | 61.5° |
| C22 | C23 | C24 | H13 | 180.0° | 180.0° |
| C22 | C23 | C24 | N25 | 0.1° | 0.0° |
| C23 | C22 | C27 | C26 | 0.3° | 0.2° |
| C22 | C23 | C24 | H4 | 179.9° | 179.7° |
| C23 | C22 | C27 | H14 | 179.8° | 179.7° |
| C24 | C23 | C22 | C27 | 0.2° | 0.2° |
| C23 | C24 | N25 | H4 | 180.0° | 179.7° |
| C23 | C24 | N25 | C26 | 0.5° | 0.3° |
| C22 | C27 | C26 | H14 | 180.0° | 179.9° |
| C22 | C27 | C26 | N25 | 0.0° | 0.1° |
| C22 | C27 | C26 | H5 | 179.9° | 180.0° |
| C27 | C22 | C23 | H13 | 179.8° | 179.8° |
| C24 | N25 | C26 | C27 | 0.4° | 0.4° |
| C24 | N25 | C26 | H5 | 179.6° | 179.7° |
| N25 | C24 | C23 | H13 | 179.9° | 180.0° |
| C27 | C26 | N25 | H5 | 180.0° | 179.9° |
| C26 | N25 | C24 | H4 | 179.5° | 179.9° |
| N25 | C26 | C27 | H14 | 179.9° | 180.0° |
| H1 | C10 | C09 | H9 | 1.4° | 0.3° |
| H4 | C24 | C23 | H13 | 0.1° | 0.2° |
| H5 | C26 | C27 | H14 | 0.1° | 0.1° |
| H7 | C05 | C06 | H8 | 0.4° | 0.0° |
| H10 | C11 | C12 | H11 | 58.0° | 54.4° |
| H10 | C11 | C12 | H12 | 177.0° | 174.9° |
| H10 | C11 | C33 | H17 | 165.6° | 178.7° |
| H10 | C11 | C33 | H18 | 45.8° | 61.4° |
